From b296e4d2771088d2fd567eca19c2696d8248dbd8 Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Tue, 7 Jul 2020 11:41:42 +0530 Subject: Moved tests in a seperate folder --- tests/backendTest.py | 100 ++ tests/dbTestFiller.py | 69 + tests/files/6LU7.pdbqt | 2889 ++++++++++++++++++++++++++++++++++++++++++ tests/files/6LU7.txt | 7 + tests/files/Eucalyptol.pdbqt | 22 + 5 files changed, 3087 insertions(+) create mode 100644 tests/backendTest.py create mode 100644 tests/dbTestFiller.py create mode 100644 tests/files/6LU7.pdbqt create mode 100644 tests/files/6LU7.txt create mode 100644 tests/files/Eucalyptol.pdbqt (limited to 'tests') diff --git a/tests/backendTest.py b/tests/backendTest.py new file mode 100644 index 0000000..470444c --- /dev/null +++ b/tests/backendTest.py @@ -0,0 +1,100 @@ +import mysql.connector as con + +mycon = con.connect(host="navanspi.duckdns.org",user="curieweb",password="curie-web-russian-54",port=3306,database="curie") +mycursor = mycon.cursor() + +# If we are running the CI on an actual server, try using the 6LU7 Mpro and Geraniin Job ID because Eucalyptol fails +sql_select_Query = 'select * from curieweb where id="l9xo2isr98oepcia" LIMIT 1' +mycursor.execute(sql_select_Query) + +records = mycursor.fetchall() + +def email(zi): + import smtplib + from email.mime.multipart import MIMEMultipart + from email.mime.text import MIMEText + from email.mime.base import MIMEBase + from email import encoders + + fromaddr = "navanchauhan@gmail.com" + toaddr = toEmail + + msg = MIMEMultipart() + msg['From'] = fromaddr + msg['To'] = toaddr + msg['Subject'] = "Curie Web Results for Job ID " + str(jobID) + body = "Attached Zip contains the docked files, PLIP report and PyMOL Visualisations. If the ZIP file does not contain these files, please report this issue by replying to this email. Job was submitted on {} with the description {}".format(date, description) + + msg.attach(MIMEText(body, 'plain')) + filename = "Curie_Web_Results_Job_ID_" + str(jobID) + ".zip" + attachment = open((str(zi) + ".zip"), "rb") + p = MIMEBase('application', 'octet-stream') + p.set_payload((attachment).read()) + encoders.encode_base64(p) + p.add_header('Content-Disposition', "attachment; filename= %s" % filename) + msg.attach(p) + + s = smtplib.SMTP('smtp.gmail.com', 587) + s.starttls() + s.login(fromaddr, 'ircd mday avbc tice') + + text = msg.as_string() + + s.sendmail(fromaddr, toaddr, text) + s.quit() + +receptor_name = "protein.pdbqt" +ligand_name = "ligand.pdbqt" +description = "GitHub Action Test" + +#print(records[0]) +r = records[0] +jobID = r[0] +toEmail = r[1] +targetB = r[2] +if r[3] != None: + receptor_name = str(r[3]) +if r[6] != None: + ligand_name = str(r[6]) +ligandB = r[4] +configB = r[7] +date = r[8] +if r[9] != None: + description = r[9] + +import os +cd = os.getcwd() +f = os.path.join(cd,"static/uploads") +#t = os.path.join(f,"receptor",target) +#r = os.path.join(f,"ligands",ligand) +#c = os.path.join(f,"configs",config) +print(f) +import tempfile +from shutil import copy +from shutil import make_archive + +with tempfile.TemporaryDirectory() as directory: + print('The created temporary directory is %s' % directory) + os.chdir(directory) +# copy(t,os.getcwd()) +# copy(r,os.getcwd()) +# copy(c, os.getcwd()) + file = open(receptor_name,"wb") + file.write(targetB) + file.close() + file = open(ligand_name,"wb") + file.write(ligandB) + file.close() + file = open("config.txt","wb") + file.write(configB) + file.close() + os.system("docker run --rm -v ${PWD}:/results -w /results -u $(id -u ${USER}):$(id -g ${USER}) navanchauhan/curie-cli -r %s -l %s -c config.txt -dpi" % (receptor_name,ligand_name)) + #copy("report.pdf",f) + z = "Curie_Web_Result_"+str(jobID) + zi = os.path.join(f,z) + make_archive(zi, 'zip', directory) + #copy(("Curie_Web_Result_"+str(jobID)),f) + email(zi) + #print((str(zi) + ".zip")) + mycursor.execute('UPDATE curieweb set done=1 where id="%s"' % (jobID)) + mycon.commit() \ No newline at end of file diff --git a/tests/dbTestFiller.py b/tests/dbTestFiller.py new file mode 100644 index 0000000..2046b04 --- /dev/null +++ b/tests/dbTestFiller.py @@ -0,0 +1,69 @@ +import mysql.connector as con + +debug = False +host = "navanspi.duckdns.org" +done = 1 + +if debug != False: + host = "192.168.1.6" + done = 0 + +mycon = con.connect(host=host,user="curieweb",password="curie-web-russian-54",port=3306,database="curie") +mycursor = mycon.cursor() + +try: + mycursor.execute("create table curieweb ( id varchar(16) primary key, email nvarchar(255) NOT NULL, protein LONGBLOB NOT NULL, protein_name VARCHAR(255), ligand_pdbqt LONGBLOB, ligand_smile VARCHAR(255), ligand_name VARCHAR(255), config LONGBLOB NOT NULL, date DATE, description VARCHAR(255), done TINYINT DEFAULT 0)") +except con.ProgrammingError: + print("Table Already Exists!") + +#try: +# mycursor.execute("insert into curieweb values (1,'navanchauhan@gmail.com','lu.pdbqt','test.pdbqt','owo.txt',CURDATE(),'CURIE WEB TASK',0)") +#except con.IntegrityError: +# print("Duplicate Entry For Primary Key!") + +from random import choice, shuffle +from string import digits, ascii_lowercase + +def gen_word(N, min_N_dig, min_N_low): + choose_from = [digits]*min_N_dig + [ascii_lowercase]*min_N_low + choose_from.extend([digits + ascii_lowercase] * (N-min_N_low-min_N_dig)) + chars = [choice(bet) for bet in choose_from] + shuffle(chars) + return ''.join(chars) + +def convertToBinaryData(filename): + with open(filename, 'rb') as file: + binaryData = file.read() + return binaryData + +from os.path import basename + +ligand = convertToBinaryData("./files/Eucalyptol.pdbqt") +receptor = convertToBinaryData("./files/6LU7.pdbqt") +config = convertToBinaryData("./files/6LU7.txt") +ligandName = "Eucalyptol" +receptorName = "6LU7" + +sqlQuery = "insert into curieweb (id, email, protein, protein_name, ligand_pdbqt, ligand_name,date, config,done) values (%s,%s,%s,%s,%s,%s,CURDATE(),%s,%s) " + +jobID = gen_word(16, 1, 1) +print("Succesfuly submitted Job ID:",jobID) + +insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done) + +try: + mycursor.execute(sqlQuery,insert_tuple) +except con.IntegrityError: + print("Oops, Collision occured. Generating new Job ID and trying again.") + jobID = gen_word(16, 1, 1) + insert_tuple = (jobID,"navanchauhan@gmail.com",receptor,receptorName,ligand,ligandName,config,done) + mycursor.execute(sqlQuery,insert_tuple) + +print("Removing Test Query") + +q = 'delete from curieweb where id="%s"' % (jobID) +mycursor.execute(q) + +mycon.commit() + +print("Database working perfectly") \ No newline at end of file diff --git a/tests/files/6LU7.pdbqt b/tests/files/6LU7.pdbqt new file mode 100644 index 0000000..1d3ea2c --- /dev/null +++ b/tests/files/6LU7.pdbqt @@ -0,0 +1,2889 @@ +ATOM 1 N SER A 1 -32.073 9.085 33.695 1.00 38.90 -0.064 N +ATOM 2 HN1 SER A 1 -32.942 9.134 33.163 1.00 0.00 0.275 HD +ATOM 3 HN2 SER A 1 -31.268 8.932 33.087 1.00 0.00 0.275 HD +ATOM 4 HN3 SER A 1 -31.812 9.996 34.073 1.00 0.00 0.275 HD +ATOM 5 CA SER A 1 -32.156 8.073 34.741 1.00 37.44 0.297 C +ATOM 6 C SER A 1 -30.857 8.000 35.536 1.00 34.96 0.250 C +ATOM 7 O SER A 1 -30.047 8.926 35.507 1.00 33.29 -0.271 OA +ATOM 8 CB SER A 1 -32.483 6.704 34.140 1.00 44.07 0.206 C +ATOM 9 OG SER A 1 -31.312 6.067 33.660 1.00 47.56 -0.398 OA +ATOM 10 HG SER A 1 -31.515 5.217 33.287 1.00 0.00 0.209 HD +ATOM 11 N GLY A 2 -30.665 6.892 36.240 1.00 36.02 -0.350 N +ATOM 12 HN GLY A 2 -31.354 6.143 36.178 1.00 0.00 0.163 HD +ATOM 13 CA GLY A 2 -29.510 6.712 37.092 1.00 34.67 0.225 C +ATOM 14 C GLY A 2 -29.828 6.998 38.551 1.00 38.34 0.236 C +ATOM 15 O GLY A 2 -30.810 7.663 38.892 1.00 45.40 -0.272 OA +ATOM 16 N PHE A 3 -28.974 6.479 39.430 1.00 38.38 -0.346 N +ATOM 17 HN PHE A 3 -28.175 5.942 39.092 1.00 0.00 0.163 HD +ATOM 18 CA PHE A 3 -29.155 6.661 40.866 1.00 36.10 0.180 C +ATOM 19 C PHE A 3 -27.790 6.744 41.527 1.00 44.18 0.241 C +ATOM 20 O PHE A 3 -26.981 5.820 41.399 1.00 40.82 -0.271 OA +ATOM 21 CB PHE A 3 -29.978 5.522 41.468 1.00 38.52 0.073 C +ATOM 22 CG PHE A 3 -30.635 5.875 42.770 1.00 40.78 -0.056 A +ATOM 23 CD1 PHE A 3 -31.642 6.824 42.816 1.00 43.38 0.007 A +ATOM 24 CD2 PHE A 3 -30.247 5.261 43.949 1.00 40.00 0.007 A +ATOM 25 CE1 PHE A 3 -32.251 7.155 44.012 1.00 42.94 0.001 A +ATOM 26 CE2 PHE A 3 -30.851 5.586 45.148 1.00 40.35 0.001 A +ATOM 27 CZ PHE A 3 -31.854 6.534 45.179 1.00 43.94 0.000 A +ATOM 28 N ARG A 4 -27.541 7.844 42.233 1.00 39.42 -0.346 N +ATOM 29 HN ARG A 4 -28.265 8.559 42.298 1.00 0.00 0.163 HD +ATOM 30 CA ARG A 4 -26.277 8.066 42.915 1.00 38.88 0.176 C +ATOM 31 C ARG A 4 -26.545 8.642 44.296 1.00 40.55 0.241 C +ATOM 32 O ARG A 4 -27.552 9.320 44.517 1.00 36.11 -0.271 OA +ATOM 33 CB ARG A 4 -25.367 9.020 42.127 1.00 36.87 0.036 C +ATOM 34 CG ARG A 4 -24.669 8.388 40.936 1.00 42.81 0.023 C +ATOM 35 CD ARG A 4 -23.342 7.771 41.340 1.00 42.72 0.138 C +ATOM 36 NE ARG A 4 -22.460 7.579 40.193 1.00 47.79 -0.227 N +ATOM 37 HE ARG A 4 -22.805 7.854 39.274 1.00 0.00 0.177 HD +ATOM 38 CZ ARG A 4 -21.235 7.068 40.270 1.00 53.27 0.665 C +ATOM 39 NH1 ARG A 4 -20.744 6.693 41.443 1.00 47.42 -0.235 N +ATOM 40 1HH1 ARG A 4 -19.804 6.301 41.502 1.00 0.00 0.174 HD +ATOM 41 2HH1 ARG A 4 -21.308 6.799 42.286 1.00 0.00 0.174 HD +ATOM 42 NH2 ARG A 4 -20.502 6.930 39.173 1.00 49.36 -0.235 N +ATOM 43 1HH2 ARG A 4 -19.562 6.538 39.232 1.00 0.00 0.174 HD +ATOM 44 2HH2 ARG A 4 -20.880 7.219 38.271 1.00 0.00 0.174 HD +ATOM 45 N LYS A 5 -25.636 8.362 45.227 1.00 34.78 -0.346 N +ATOM 46 HN LYS A 5 -24.907 7.677 45.028 1.00 0.00 0.163 HD +ATOM 47 CA LYS A 5 -25.667 9.020 46.528 1.00 36.92 0.176 C +ATOM 48 C LYS A 5 -25.399 10.504 46.317 1.00 32.31 0.241 C +ATOM 49 O LYS A 5 -24.261 10.908 46.053 1.00 37.11 -0.271 OA +ATOM 50 CB LYS A 5 -24.643 8.396 47.471 1.00 39.24 0.035 C +ATOM 51 CG LYS A 5 -25.062 8.413 48.934 1.00 39.96 0.004 C +ATOM 52 CD LYS A 5 -24.326 7.353 49.740 1.00 43.24 0.027 C +ATOM 53 CE LYS A 5 -24.965 5.984 49.571 1.00 48.83 0.229 C +ATOM 54 NZ LYS A 5 -24.162 4.914 50.226 1.00 58.11 -0.079 N +ATOM 55 HZ1 LYS A 5 -24.591 3.995 50.113 1.00 0.00 0.274 HD +ATOM 56 HZ2 LYS A 5 -23.993 5.126 51.209 1.00 0.00 0.274 HD +ATOM 57 HZ3 LYS A 5 -23.198 4.917 49.894 1.00 0.00 0.274 HD +ATOM 58 N MET A 6 -26.446 11.316 46.414 1.00 25.57 -0.346 N +ATOM 59 HN MET A 6 -27.321 10.941 46.779 1.00 0.00 0.163 HD +ATOM 60 CA MET A 6 -26.400 12.716 46.023 1.00 36.94 0.177 C +ATOM 61 C MET A 6 -26.467 13.607 47.255 1.00 30.91 0.241 C +ATOM 62 O MET A 6 -27.368 13.459 48.088 1.00 28.98 -0.271 OA +ATOM 63 CB MET A 6 -27.548 13.047 45.068 1.00 32.35 0.045 C +ATOM 64 CG MET A 6 -27.370 14.341 44.297 1.00 41.91 0.076 C +ATOM 65 SD MET A 6 -28.586 14.521 42.977 1.00 50.06 -0.173 SA +ATOM 66 CE MET A 6 -28.245 13.061 41.999 1.00 42.04 0.089 C +ATOM 67 N ALA A 7 -25.516 14.525 47.363 1.00 24.70 -0.346 N +ATOM 68 HN ALA A 7 -24.764 14.529 46.674 1.00 0.00 0.163 HD +ATOM 69 CA ALA A 7 -25.496 15.526 48.417 1.00 31.84 0.172 C +ATOM 70 C ALA A 7 -26.118 16.824 47.917 1.00 39.13 0.240 C +ATOM 71 O ALA A 7 -26.143 17.108 46.717 1.00 30.67 -0.271 OA +ATOM 72 CB ALA A 7 -24.065 15.781 48.898 1.00 31.91 0.042 C +ATOM 73 N PHE A 8 -26.629 17.612 48.859 1.00 35.53 -0.346 N +ATOM 74 HN PHE A 8 -26.632 17.303 49.831 1.00 0.00 0.163 HD +ATOM 75 CA PHE A 8 -27.182 18.909 48.513 1.00 34.19 0.181 C +ATOM 76 C PHE A 8 -26.060 19.874 48.132 1.00 35.86 0.243 C +ATOM 77 O PHE A 8 -24.929 19.740 48.607 1.00 37.71 -0.271 OA +ATOM 78 CB PHE A 8 -27.983 19.479 49.680 1.00 31.88 0.073 C +ATOM 79 CG PHE A 8 -29.339 18.855 49.850 1.00 34.04 -0.056 A +ATOM 80 CD1 PHE A 8 -30.396 19.234 49.041 1.00 37.68 0.007 A +ATOM 81 CD2 PHE A 8 -29.557 17.893 50.822 1.00 32.78 0.007 A +ATOM 82 CE1 PHE A 8 -31.646 18.663 49.196 1.00 38.75 0.001 A +ATOM 83 CE2 PHE A 8 -30.804 17.319 50.982 1.00 35.47 0.001 A +ATOM 84 CZ PHE A 8 -31.849 17.705 50.168 1.00 40.42 0.000 A +ATOM 85 N PRO A 9 -26.342 20.843 47.261 1.00 35.98 -0.337 N +ATOM 86 CA PRO A 9 -25.340 21.872 46.956 1.00 37.27 0.179 C +ATOM 87 C PRO A 9 -24.923 22.612 48.219 1.00 33.84 0.241 C +ATOM 88 O PRO A 9 -25.761 23.012 49.030 1.00 38.14 -0.271 OA +ATOM 89 CB PRO A 9 -26.066 22.790 45.966 1.00 38.03 0.037 C +ATOM 90 CG PRO A 9 -27.105 21.918 45.343 1.00 42.20 0.022 C +ATOM 91 CD PRO A 9 -27.551 20.986 46.433 1.00 40.32 0.127 C +ATOM 92 N SER A 10 -23.613 22.787 48.383 1.00 35.35 -0.344 N +ATOM 93 HN SER A 10 -22.989 22.568 47.607 1.00 0.00 0.163 HD +ATOM 94 CA SER A 10 -23.037 23.278 49.626 1.00 38.41 0.200 C +ATOM 95 C SER A 10 -22.730 24.770 49.600 1.00 37.76 0.242 C +ATOM 96 O SER A 10 -22.106 25.275 50.538 1.00 34.95 -0.271 OA +ATOM 97 CB SER A 10 -21.762 22.498 49.953 1.00 33.59 0.199 C +ATOM 98 OG SER A 10 -20.780 22.691 48.950 1.00 36.17 -0.398 OA +ATOM 99 HG SER A 10 -19.988 22.207 49.153 1.00 0.00 0.209 HD +ATOM 100 N GLY A 11 -23.156 25.485 48.556 1.00 41.13 -0.350 N +ATOM 101 HN GLY A 11 -23.731 25.044 47.838 1.00 0.00 0.163 HD +ATOM 102 CA GLY A 11 -22.802 26.892 48.440 1.00 38.60 0.225 C +ATOM 103 C GLY A 11 -23.316 27.735 49.592 1.00 38.39 0.236 C +ATOM 104 O GLY A 11 -22.598 28.590 50.117 1.00 46.36 -0.272 OA +ATOM 105 N LYS A 12 -24.564 27.505 50.005 1.00 38.09 -0.346 N +ATOM 106 HN LYS A 12 -25.116 26.771 49.561 1.00 0.00 0.163 HD +ATOM 107 CA LYS A 12 -25.146 28.293 51.086 1.00 36.59 0.176 C +ATOM 108 C LYS A 12 -24.552 27.946 52.445 1.00 39.48 0.241 C +ATOM 109 O LYS A 12 -24.652 28.754 53.375 1.00 40.17 -0.271 OA +ATOM 110 CB LYS A 12 -26.663 28.106 51.107 1.00 42.83 0.035 C +ATOM 111 CG LYS A 12 -27.354 28.626 49.856 1.00 42.78 0.004 C +ATOM 112 CD LYS A 12 -28.638 27.867 49.562 1.00 57.42 0.027 C +ATOM 113 CE LYS A 12 -29.857 28.610 50.085 1.00 57.45 0.229 C +ATOM 114 NZ LYS A 12 -30.058 28.392 51.544 1.00 55.48 -0.079 N +ATOM 115 HZ1 LYS A 12 -30.876 28.890 51.895 1.00 0.00 0.274 HD +ATOM 116 HZ2 LYS A 12 -29.221 28.635 52.074 1.00 0.00 0.274 HD +ATOM 117 HZ3 LYS A 12 -30.106 27.398 51.767 1.00 0.00 0.274 HD +ATOM 118 N VAL A 13 -23.940 26.773 52.582 1.00 38.78 -0.346 N +ATOM 119 HN VAL A 13 -23.944 26.110 51.807 1.00 0.00 0.163 HD +ATOM 120 CA VAL A 13 -23.264 26.421 53.825 1.00 36.52 0.180 C +ATOM 121 C VAL A 13 -21.793 26.832 53.796 1.00 35.77 0.241 C +ATOM 122 O VAL A 13 -21.223 27.157 54.843 1.00 39.87 -0.271 OA +ATOM 123 CB VAL A 13 -23.418 24.915 54.103 1.00 33.81 0.009 C +ATOM 124 CG1 VAL A 13 -22.767 24.538 55.426 1.00 35.72 0.012 C +ATOM 125 CG2 VAL A 13 -24.889 24.527 54.104 1.00 33.49 0.012 C +ATOM 126 N GLU A 14 -21.172 26.840 52.613 1.00 31.88 -0.346 N +ATOM 127 HN GLU A 14 -21.684 26.568 51.774 1.00 0.00 0.163 HD +ATOM 128 CA GLU A 14 -19.769 27.233 52.505 1.00 38.31 0.177 C +ATOM 129 C GLU A 14 -19.544 28.649 53.024 1.00 39.80 0.240 C +ATOM 130 O GLU A 14 -18.514 28.932 53.648 1.00 36.53 -0.271 OA +ATOM 131 CB GLU A 14 -19.305 27.122 51.052 1.00 41.13 0.045 C +ATOM 132 CG GLU A 14 -18.957 25.712 50.607 1.00 41.37 0.116 C +ATOM 133 CD GLU A 14 -18.897 25.579 49.098 1.00 41.45 0.172 C +ATOM 134 OE1 GLU A 14 -19.869 25.067 48.504 1.00 37.79 -0.648 OA +ATOM 135 OE2 GLU A 14 -17.877 25.989 48.505 1.00 40.99 -0.648 OA +ATOM 136 N GLY A 15 -20.495 29.549 52.781 1.00 34.24 -0.351 N +ATOM 137 HN GLY A 15 -21.336 29.262 52.281 1.00 0.00 0.163 HD +ATOM 138 CA GLY A 15 -20.362 30.928 53.211 1.00 40.10 0.225 C +ATOM 139 C GLY A 15 -20.501 31.162 54.700 1.00 43.58 0.236 C +ATOM 140 O GLY A 15 -20.387 32.309 55.140 1.00 42.28 -0.272 OA +ATOM 141 N CYS A 16 -20.739 30.114 55.488 1.00 36.43 -0.346 N +ATOM 142 HN CYS A 16 -20.799 29.187 55.067 1.00 0.00 0.163 HD +ATOM 143 CA CYS A 16 -20.917 30.244 56.927 1.00 35.87 0.186 C +ATOM 144 C CYS A 16 -19.815 29.573 57.732 1.00 33.79 0.241 C +ATOM 145 O CYS A 16 -19.841 29.644 58.965 1.00 36.56 -0.271 OA +ATOM 146 CB CYS A 16 -22.275 29.667 57.345 1.00 36.64 0.120 C +ATOM 147 SG CYS A 16 -23.654 30.190 56.312 1.00 50.68 -0.095 SA +ATOM 148 N MET A 17 -18.852 28.928 57.079 1.00 30.44 -0.346 N +ATOM 149 HN MET A 17 -18.851 28.929 56.059 1.00 0.00 0.163 HD +ATOM 150 CA MET A 17 -17.799 28.220 57.794 1.00 32.33 0.177 C +ATOM 151 C MET A 17 -16.675 29.177 58.171 1.00 39.30 0.241 C +ATOM 152 O MET A 17 -16.188 29.942 57.332 1.00 39.57 -0.271 OA +ATOM 153 CB MET A 17 -17.256 27.071 56.946 1.00 35.47 0.045 C +ATOM 154 CG MET A 17 -18.289 26.004 56.621 1.00 34.34 0.076 C +ATOM 155 SD MET A 17 -19.267 25.517 58.058 1.00 44.04 -0.173 SA +ATOM 156 CE MET A 17 -17.998 24.861 59.141 1.00 32.95 0.089 C +ATOM 157 N VAL A 18 -16.269 29.134 59.440 1.00 30.96 -0.346 N +ATOM 158 HN VAL A 18 -16.745 28.499 60.081 1.00 0.00 0.163 HD +ATOM 159 CA VAL A 18 -15.179 29.950 59.953 1.00 35.69 0.180 C +ATOM 160 C VAL A 18 -14.221 29.049 60.721 1.00 36.49 0.241 C +ATOM 161 O VAL A 18 -14.511 27.885 60.999 1.00 32.93 -0.271 OA +ATOM 162 CB VAL A 18 -15.676 31.100 60.854 1.00 33.25 0.009 C +ATOM 163 CG1 VAL A 18 -16.514 32.083 60.052 1.00 34.40 0.012 C +ATOM 164 CG2 VAL A 18 -16.465 30.548 62.031 1.00 32.86 0.012 C +ATOM 165 N GLN A 19 -13.064 29.608 61.058 1.00 35.39 -0.346 N +ATOM 166 HN GLN A 19 -12.873 30.560 60.744 1.00 0.00 0.163 HD +ATOM 167 CA GLN A 19 -12.057 28.923 61.855 1.00 36.84 0.177 C +ATOM 168 C GLN A 19 -12.040 29.523 63.253 1.00 40.23 0.241 C +ATOM 169 O GLN A 19 -11.925 30.743 63.408 1.00 37.54 -0.271 OA +ATOM 170 CB GLN A 19 -10.673 29.035 61.211 1.00 40.75 0.044 C +ATOM 171 CG GLN A 19 -9.561 28.393 62.024 1.00 44.72 0.105 C +ATOM 172 CD GLN A 19 -8.189 28.636 61.429 1.00 52.55 0.215 C +ATOM 173 NE2 GLN A 19 -7.693 29.860 61.566 1.00 57.38 -0.370 N +ATOM 174 1HE2 GLN A 19 -6.769 30.024 61.165 1.00 0.00 0.159 HD +ATOM 175 2HE2 GLN A 19 -8.197 30.607 62.044 1.00 0.00 0.159 HD +ATOM 176 OE1 GLN A 19 -7.581 27.734 60.852 1.00 53.65 -0.274 OA +ATOM 177 N VAL A 20 -12.162 28.667 64.263 1.00 37.22 -0.346 N +ATOM 178 HN VAL A 20 -12.248 27.673 64.050 1.00 0.00 0.163 HD +ATOM 179 CA VAL A 20 -12.179 29.083 65.661 1.00 37.75 0.180 C +ATOM 180 C VAL A 20 -10.928 28.533 66.329 1.00 39.41 0.241 C +ATOM 181 O VAL A 20 -10.678 27.322 66.294 1.00 40.62 -0.271 OA +ATOM 182 CB VAL A 20 -13.447 28.601 66.381 1.00 35.93 0.009 C +ATOM 183 CG1 VAL A 20 -13.469 29.112 67.814 1.00 35.66 0.012 C +ATOM 184 CG2 VAL A 20 -14.688 29.051 65.627 1.00 29.32 0.012 C +ATOM 185 N THR A 21 -10.144 29.419 66.937 1.00 42.33 -0.344 N +ATOM 186 HN THR A 21 -10.417 30.402 66.925 1.00 0.00 0.163 HD +ATOM 187 CA THR A 21 -8.913 29.045 67.619 1.00 39.43 0.205 C +ATOM 188 C THR A 21 -8.969 29.519 69.064 1.00 42.16 0.243 C +ATOM 189 O THR A 21 -9.258 30.691 69.327 1.00 39.79 -0.271 OA +ATOM 190 CB THR A 21 -7.684 29.636 66.921 1.00 43.87 0.146 C +ATOM 191 CG2 THR A 21 -6.406 29.187 67.616 1.00 46.67 0.042 C +ATOM 192 OG1 THR A 21 -7.653 29.201 65.555 1.00 49.18 -0.393 OA +ATOM 193 HG1 THR A 21 -6.891 29.567 65.122 1.00 0.00 0.210 HD +ATOM 194 N CYS A 22 -8.699 28.605 69.992 1.00 46.16 -0.345 N +ATOM 195 HN CYS A 22 -8.560 27.639 69.695 1.00 0.00 0.163 HD +ATOM 196 CA CYS A 22 -8.591 28.916 71.416 1.00 42.65 0.186 C +ATOM 197 C CYS A 22 -7.289 28.291 71.905 1.00 47.48 0.241 C +ATOM 198 O CYS A 22 -7.209 27.073 72.087 1.00 47.27 -0.271 OA +ATOM 199 CB CYS A 22 -9.794 28.394 72.196 1.00 35.21 0.120 C +ATOM 200 SG CYS A 22 -9.850 28.921 73.924 1.00 57.47 -0.095 SA +ATOM 201 N GLY A 23 -6.271 29.123 72.106 1.00 43.57 -0.351 N +ATOM 202 HN GLY A 23 -6.422 30.128 72.023 1.00 0.00 0.163 HD +ATOM 203 CA GLY A 23 -4.951 28.628 72.441 1.00 48.54 0.225 C +ATOM 204 C GLY A 23 -4.291 27.961 71.253 1.00 48.65 0.236 C +ATOM 205 O GLY A 23 -4.089 28.592 70.211 1.00 58.32 -0.272 OA +ATOM 206 N THR A 24 -3.956 26.681 71.392 1.00 46.27 -0.344 N +ATOM 207 HN THR A 24 -4.092 26.231 72.297 1.00 0.00 0.163 HD +ATOM 208 CA THR A 24 -3.402 25.902 70.294 1.00 54.16 0.205 C +ATOM 209 C THR A 24 -4.429 24.989 69.640 1.00 51.12 0.243 C +ATOM 210 O THR A 24 -4.066 24.193 68.768 1.00 57.86 -0.271 OA +ATOM 211 CB THR A 24 -2.213 25.067 70.778 1.00 52.71 0.146 C +ATOM 212 CG2 THR A 24 -1.016 25.962 71.073 1.00 54.72 0.042 C +ATOM 213 OG1 THR A 24 -2.574 24.354 71.966 1.00 57.38 -0.393 OA +ATOM 214 HG1 THR A 24 -1.836 23.836 72.266 1.00 0.00 0.210 HD +ATOM 215 N THR A 25 -5.695 25.080 70.036 1.00 50.73 -0.344 N +ATOM 216 HN THR A 25 -5.936 25.757 70.760 1.00 0.00 0.163 HD +ATOM 217 CA THR A 25 -6.750 24.247 69.473 1.00 48.80 0.205 C +ATOM 218 C THR A 25 -7.468 25.013 68.371 1.00 45.57 0.243 C +ATOM 219 O THR A 25 -7.907 26.147 68.585 1.00 42.11 -0.271 OA +ATOM 220 CB THR A 25 -7.747 23.818 70.551 1.00 45.82 0.146 C +ATOM 221 CG2 THR A 25 -8.709 22.779 70.002 1.00 44.98 0.042 C +ATOM 222 OG1 THR A 25 -7.040 23.274 71.673 1.00 52.62 -0.393 OA +ATOM 223 HG1 THR A 25 -7.659 23.008 72.342 1.00 0.00 0.210 HD +ATOM 224 N THR A 26 -7.589 24.392 67.200 1.00 46.56 -0.344 N +ATOM 225 HN THR A 26 -7.227 23.444 67.100 1.00 0.00 0.163 HD +ATOM 226 CA THR A 26 -8.224 25.031 66.060 1.00 43.98 0.205 C +ATOM 227 C THR A 26 -9.218 24.075 65.426 1.00 39.56 0.243 C +ATOM 228 O THR A 26 -8.883 22.919 65.137 1.00 42.53 -0.271 OA +ATOM 229 CB THR A 26 -7.184 25.490 65.034 1.00 45.90 0.146 C +ATOM 230 CG2 THR A 26 -6.155 24.392 64.757 1.00 47.20 0.042 C +ATOM 231 OG1 THR A 26 -7.836 25.859 63.814 1.00 50.51 -0.393 OA +ATOM 232 HG1 THR A 26 -7.191 26.144 63.177 1.00 0.00 0.210 HD +ATOM 233 N LEU A 27 -10.433 24.568 65.192 1.00 36.95 -0.346 N +ATOM 234 HN LEU A 27 -10.643 25.527 65.469 1.00 0.00 0.163 HD +ATOM 235 CA LEU A 27 -11.471 23.771 64.549 1.00 37.04 0.177 C +ATOM 236 C LEU A 27 -12.390 24.710 63.786 1.00 38.51 0.241 C +ATOM 237 O LEU A 27 -12.154 25.920 63.720 1.00 29.66 -0.271 OA +ATOM 238 CB LEU A 27 -12.225 22.902 65.570 1.00 37.70 0.038 C +ATOM 239 CG LEU A 27 -12.639 23.447 66.937 1.00 36.32 -0.020 C +ATOM 240 CD1 LEU A 27 -13.847 24.364 66.831 1.00 32.79 0.009 C +ATOM 241 CD2 LEU A 27 -12.936 22.285 67.873 1.00 31.17 0.009 C +ATOM 242 N ASN A 28 -13.448 24.141 63.222 1.00 30.29 -0.346 N +ATOM 243 HN ASN A 28 -13.618 23.149 63.387 1.00 0.00 0.163 HD +ATOM 244 CA ASN A 28 -14.372 24.876 62.380 1.00 32.66 0.185 C +ATOM 245 C ASN A 28 -15.551 25.393 63.193 1.00 27.62 0.241 C +ATOM 246 O ASN A 28 -15.959 24.793 64.189 1.00 31.18 -0.271 OA +ATOM 247 CB ASN A 28 -14.877 23.989 61.240 1.00 30.89 0.137 C +ATOM 248 CG ASN A 28 -13.749 23.365 60.446 1.00 32.19 0.217 C +ATOM 249 ND2 ASN A 28 -13.426 22.114 60.755 1.00 35.87 -0.370 N +ATOM 250 1HD2 ASN A 28 -12.666 21.694 60.220 1.00 0.00 0.159 HD +ATOM 251 2HD2 ASN A 28 -13.905 21.587 61.486 1.00 0.00 0.159 HD +ATOM 252 OD1 ASN A 28 -13.172 24.000 59.565 1.00 33.71 -0.274 OA +ATOM 253 N GLY A 29 -16.098 26.525 62.749 1.00 28.97 -0.351 N +ATOM 254 HN GLY A 29 -15.681 26.999 61.948 1.00 0.00 0.163 HD +ATOM 255 CA GLY A 29 -17.267 27.095 63.375 1.00 29.43 0.225 C +ATOM 256 C GLY A 29 -18.309 27.457 62.335 1.00 29.30 0.236 C +ATOM 257 O GLY A 29 -18.006 27.655 61.159 1.00 30.37 -0.272 OA +ATOM 258 N LEU A 30 -19.555 27.536 62.795 1.00 30.94 -0.346 N +ATOM 259 HN LEU A 30 -19.723 27.346 63.783 1.00 0.00 0.163 HD +ATOM 260 CA LEU A 30 -20.692 27.883 61.949 1.00 31.77 0.177 C +ATOM 261 C LEU A 30 -21.108 29.312 62.273 1.00 31.91 0.241 C +ATOM 262 O LEU A 30 -21.612 29.586 63.367 1.00 32.56 -0.271 OA +ATOM 263 CB LEU A 30 -21.848 26.907 62.161 1.00 31.92 0.038 C +ATOM 264 CG LEU A 30 -22.986 26.989 61.143 1.00 31.71 -0.020 C +ATOM 265 CD1 LEU A 30 -22.489 26.629 59.750 1.00 32.72 0.009 C +ATOM 266 CD2 LEU A 30 -24.140 26.089 61.552 1.00 30.45 0.009 C +ATOM 267 N TRP A 31 -20.902 30.218 61.319 1.00 33.46 -0.346 N +ATOM 268 HN TRP A 31 -20.543 29.902 60.418 1.00 0.00 0.163 HD +ATOM 269 CA TRP A 31 -21.166 31.644 61.503 1.00 31.27 0.181 C +ATOM 270 C TRP A 31 -22.534 31.965 60.907 1.00 34.76 0.241 C +ATOM 271 O TRP A 31 -22.679 32.092 59.688 1.00 31.78 -0.271 OA +ATOM 272 CB TRP A 31 -20.062 32.478 60.860 1.00 34.28 0.075 C +ATOM 273 CG TRP A 31 -20.199 33.957 61.074 1.00 38.48 -0.028 A +ATOM 274 CD1 TRP A 31 -20.963 34.587 62.015 1.00 35.41 0.096 A +ATOM 275 CD2 TRP A 31 -19.548 34.993 60.329 1.00 37.93 -0.002 A +ATOM 276 CE2 TRP A 31 -19.965 36.225 60.871 1.00 41.14 0.042 A +ATOM 277 CE3 TRP A 31 -18.654 34.998 59.254 1.00 40.41 0.014 A +ATOM 278 NE1 TRP A 31 -20.829 35.949 61.899 1.00 38.91 -0.365 N +ATOM 279 HE1 TRP A 31 -21.296 36.643 62.483 1.00 0.00 0.165 HD +ATOM 280 CZ2 TRP A 31 -19.519 37.448 60.376 1.00 40.49 0.030 A +ATOM 281 CZ3 TRP A 31 -18.212 36.214 58.763 1.00 47.09 0.001 A +ATOM 282 CH2 TRP A 31 -18.645 37.421 59.324 1.00 42.02 0.002 A +ATOM 283 N LEU A 32 -23.535 32.098 61.773 1.00 29.78 -0.346 N +ATOM 284 HN LEU A 32 -23.344 31.942 62.763 1.00 0.00 0.163 HD +ATOM 285 CA LEU A 32 -24.892 32.456 61.377 1.00 31.50 0.177 C +ATOM 286 C LEU A 32 -25.290 33.722 62.120 1.00 39.34 0.241 C +ATOM 287 O LEU A 32 -25.246 33.758 63.355 1.00 36.42 -0.271 OA +ATOM 288 CB LEU A 32 -25.874 31.323 61.679 1.00 38.19 0.038 C +ATOM 289 CG LEU A 32 -25.647 30.004 60.938 1.00 34.57 -0.020 C +ATOM 290 CD1 LEU A 32 -26.558 28.924 61.493 1.00 33.34 0.009 C +ATOM 291 CD2 LEU A 32 -25.868 30.181 59.445 1.00 32.67 0.009 C +ATOM 292 N ASP A 33 -25.681 34.750 61.369 1.00 39.86 -0.346 N +ATOM 293 HN ASP A 33 -25.763 34.610 60.362 1.00 0.00 0.163 HD +ATOM 294 CA ASP A 33 -26.000 36.076 61.916 1.00 40.96 0.186 C +ATOM 295 C ASP A 33 -24.764 36.546 62.682 1.00 39.17 0.241 C +ATOM 296 O ASP A 33 -23.659 36.526 62.117 1.00 41.90 -0.271 OA +ATOM 297 CB ASP A 33 -27.293 36.008 62.721 1.00 41.67 0.147 C +ATOM 298 CG ASP A 33 -28.466 35.509 61.898 1.00 50.38 0.175 C +ATOM 299 OD1 ASP A 33 -28.621 35.962 60.745 1.00 52.37 -0.648 OA +ATOM 300 OD2 ASP A 33 -29.231 34.661 62.404 1.00 53.30 -0.648 OA +ATOM 301 N ASP A 34 -24.885 36.953 63.945 1.00 36.41 -0.345 N +ATOM 302 HN ASP A 34 -25.810 36.944 64.376 1.00 0.00 0.163 HD +ATOM 303 CA ASP A 34 -23.749 37.410 64.736 1.00 40.57 0.186 C +ATOM 304 C ASP A 34 -23.337 36.386 65.790 1.00 40.01 0.241 C +ATOM 305 O ASP A 34 -22.807 36.750 66.843 1.00 37.93 -0.271 OA +ATOM 306 CB ASP A 34 -24.063 38.754 65.393 1.00 42.76 0.147 C +ATOM 307 CG ASP A 34 -25.304 38.701 66.263 1.00 51.09 0.175 C +ATOM 308 OD1 ASP A 34 -26.354 38.231 65.777 1.00 57.36 -0.648 OA +ATOM 309 OD2 ASP A 34 -25.229 39.131 67.434 1.00 52.82 -0.648 OA +ATOM 310 N VAL A 35 -23.574 35.103 65.523 1.00 35.15 -0.346 N +ATOM 311 HN VAL A 35 -24.006 34.862 64.631 1.00 0.00 0.163 HD +ATOM 312 CA VAL A 35 -23.243 34.028 66.449 1.00 34.04 0.180 C +ATOM 313 C VAL A 35 -22.415 32.985 65.712 1.00 35.49 0.241 C +ATOM 314 O VAL A 35 -22.720 32.631 64.568 1.00 32.04 -0.271 OA +ATOM 315 CB VAL A 35 -24.510 33.385 67.055 1.00 33.33 0.009 C +ATOM 316 CG1 VAL A 35 -24.134 32.278 68.031 1.00 31.88 0.012 C +ATOM 317 CG2 VAL A 35 -25.366 34.437 67.745 1.00 32.07 0.012 C +ATOM 318 N VAL A 36 -21.366 32.496 66.369 1.00 31.67 -0.346 N +ATOM 319 HN VAL A 36 -21.150 32.877 67.290 1.00 0.00 0.163 HD +ATOM 320 CA VAL A 36 -20.511 31.442 65.835 1.00 34.48 0.180 C +ATOM 321 C VAL A 36 -20.680 30.210 66.712 1.00 34.24 0.241 C +ATOM 322 O VAL A 36 -20.465 30.269 67.929 1.00 34.29 -0.271 OA +ATOM 323 CB VAL A 36 -19.039 31.878 65.775 1.00 31.91 0.009 C +ATOM 324 CG1 VAL A 36 -18.153 30.695 65.414 1.00 30.09 0.012 C +ATOM 325 CG2 VAL A 36 -18.862 33.006 64.773 1.00 31.39 0.012 C +ATOM 326 N TYR A 37 -21.067 29.096 66.097 1.00 30.91 -0.346 N +ATOM 327 HN TYR A 37 -21.235 29.127 65.091 1.00 0.00 0.163 HD +ATOM 328 CA TYR A 37 -21.262 27.834 66.796 1.00 25.81 0.180 C +ATOM 329 C TYR A 37 -20.089 26.911 66.499 1.00 33.31 0.241 C +ATOM 330 O TYR A 37 -19.680 26.776 65.342 1.00 33.64 -0.271 OA +ATOM 331 CB TYR A 37 -22.573 27.166 66.374 1.00 31.93 0.073 C +ATOM 332 CG TYR A 37 -23.799 28.049 66.479 1.00 28.04 -0.056 A +ATOM 333 CD1 TYR A 37 -24.106 28.970 65.485 1.00 30.82 0.010 A +ATOM 334 CD2 TYR A 37 -24.657 27.951 67.567 1.00 29.93 0.010 A +ATOM 335 CE1 TYR A 37 -25.225 29.775 65.576 1.00 24.79 0.037 A +ATOM 336 CE2 TYR A 37 -25.780 28.750 67.665 1.00 28.93 0.037 A +ATOM 337 CZ TYR A 37 -26.059 29.660 66.667 1.00 30.20 0.065 A +ATOM 338 OH TYR A 37 -27.174 30.458 66.762 1.00 32.62 -0.361 OA +ATOM 339 HH TYR A 37 -27.749 30.379 67.514 1.00 0.00 0.217 HD +ATOM 340 N CYS A 38 -19.555 26.277 67.537 1.00 28.03 -0.345 N +ATOM 341 HN CYS A 38 -19.952 26.422 68.466 1.00 0.00 0.163 HD +ATOM 342 CA CYS A 38 -18.419 25.382 67.383 1.00 29.55 0.186 C +ATOM 343 C CYS A 38 -18.436 24.379 68.527 1.00 30.64 0.244 C +ATOM 344 O CYS A 38 -19.055 24.631 69.566 1.00 29.00 -0.271 OA +ATOM 345 CB CYS A 38 -17.094 26.158 67.362 1.00 33.99 0.120 C +ATOM 346 SG CYS A 38 -16.612 26.882 68.946 1.00 39.36 -0.095 SA +ATOM 347 N PRO A 39 -17.786 23.226 68.357 1.00 28.03 -0.337 N +ATOM 348 CA PRO A 39 -17.701 22.266 69.465 1.00 30.12 0.179 C +ATOM 349 C PRO A 39 -16.998 22.878 70.667 1.00 30.67 0.241 C +ATOM 350 O PRO A 39 -16.035 23.635 70.530 1.00 33.30 -0.271 OA +ATOM 351 CB PRO A 39 -16.894 21.107 68.869 1.00 27.83 0.037 C +ATOM 352 CG PRO A 39 -17.094 21.224 67.394 1.00 32.19 0.022 C +ATOM 353 CD PRO A 39 -17.189 22.695 67.120 1.00 32.72 0.127 C +ATOM 354 N ARG A 40 -17.494 22.542 71.859 1.00 30.74 -0.346 N +ATOM 355 HN ARG A 40 -18.237 21.846 71.917 1.00 0.00 0.163 HD +ATOM 356 CA ARG A 40 -16.988 23.157 73.078 1.00 37.68 0.176 C +ATOM 357 C ARG A 40 -15.606 22.656 73.474 1.00 35.98 0.241 C +ATOM 358 O ARG A 40 -14.947 23.300 74.296 1.00 38.97 -0.271 OA +ATOM 359 CB ARG A 40 -17.967 22.928 74.233 1.00 36.25 0.036 C +ATOM 360 CG ARG A 40 -18.007 21.502 74.755 1.00 35.21 0.023 C +ATOM 361 CD ARG A 40 -18.840 21.416 76.025 1.00 38.69 0.138 C +ATOM 362 NE ARG A 40 -19.094 20.034 76.424 1.00 38.85 -0.227 N +ATOM 363 HE ARG A 40 -18.710 19.290 75.841 1.00 0.00 0.177 HD +ATOM 364 CZ ARG A 40 -19.794 19.685 77.498 1.00 36.84 0.665 C +ATOM 365 NH1 ARG A 40 -20.308 20.617 78.289 1.00 37.14 -0.235 N +ATOM 366 1HH1 ARG A 40 -20.845 20.349 79.114 1.00 0.00 0.174 HD +ATOM 367 2HH1 ARG A 40 -20.169 21.603 78.068 1.00 0.00 0.174 HD +ATOM 368 NH2 ARG A 40 -19.975 18.403 77.785 1.00 35.64 -0.235 N +ATOM 369 1HH2 ARG A 40 -20.512 18.135 78.610 1.00 0.00 0.174 HD +ATOM 370 2HH2 ARG A 40 -19.580 17.686 77.177 1.00 0.00 0.174 HD +ATOM 371 N HIS A 41 -15.145 21.538 72.916 1.00 35.84 -0.346 N +ATOM 372 HN HIS A 41 -15.720 21.031 72.243 1.00 0.00 0.163 HD +ATOM 373 CA HIS A 41 -13.820 21.037 73.265 1.00 38.89 0.182 C +ATOM 374 C HIS A 41 -12.697 21.814 72.589 1.00 37.13 0.241 C +ATOM 375 O HIS A 41 -11.539 21.391 72.668 1.00 39.19 -0.271 OA +ATOM 376 CB HIS A 41 -13.705 19.545 72.937 1.00 42.38 0.093 C +ATOM 377 CG HIS A 41 -13.826 19.231 71.479 1.00 37.90 0.028 A +ATOM 378 CD2 HIS A 41 -12.964 19.414 70.451 1.00 37.33 0.114 A +ATOM 379 ND1 HIS A 41 -14.947 18.638 70.939 1.00 36.57 -0.354 N +ATOM 380 HD1 HIS A 41 -15.780 18.366 71.461 1.00 0.00 0.166 HD +ATOM 381 CE1 HIS A 41 -14.774 18.477 69.640 1.00 41.55 0.180 A +ATOM 382 NE2 HIS A 41 -13.579 18.940 69.318 1.00 41.88 -0.360 N +ATOM 383 HE2 HIS A 41 -13.178 18.945 68.380 1.00 0.00 0.166 HD +ATOM 384 N VAL A 42 -13.011 22.932 71.930 1.00 35.20 -0.346 N +ATOM 385 HN VAL A 42 -13.991 23.163 71.770 1.00 0.00 0.163 HD +ATOM 386 CA VAL A 42 -11.972 23.826 71.436 1.00 39.75 0.180 C +ATOM 387 C VAL A 42 -11.252 24.518 72.587 1.00 40.51 0.241 C +ATOM 388 O VAL A 42 -10.132 25.010 72.411 1.00 45.18 -0.271 OA +ATOM 389 CB VAL A 42 -12.576 24.854 70.458 1.00 34.88 0.009 C +ATOM 390 CG1 VAL A 42 -13.447 25.854 71.200 1.00 28.67 0.012 C +ATOM 391 CG2 VAL A 42 -11.482 25.565 69.669 1.00 37.02 0.012 C +ATOM 392 N ILE A 43 -11.866 24.557 73.776 1.00 39.40 -0.346 N +ATOM 393 HN ILE A 43 -12.799 24.155 73.867 1.00 0.00 0.163 HD +ATOM 394 CA ILE A 43 -11.235 25.160 74.945 1.00 45.41 0.180 C +ATOM 395 C ILE A 43 -10.322 24.190 75.681 1.00 44.13 0.241 C +ATOM 396 O ILE A 43 -9.723 24.569 76.697 1.00 53.91 -0.271 OA +ATOM 397 CB ILE A 43 -12.293 25.705 75.927 1.00 38.96 0.013 C +ATOM 398 CG1 ILE A 43 -13.044 24.551 76.594 1.00 39.31 0.002 C +ATOM 399 CG2 ILE A 43 -13.257 26.636 75.211 1.00 39.80 0.012 C +ATOM 400 CD1 ILE A 43 -14.181 24.995 77.490 1.00 37.22 0.005 C +ATOM 401 N CYS A 44 -10.196 22.955 75.208 1.00 49.20 -0.345 N +ATOM 402 HN CYS A 44 -10.708 22.699 74.364 1.00 0.00 0.163 HD +ATOM 403 CA CYS A 44 -9.356 21.954 75.847 1.00 50.36 0.186 C +ATOM 404 C CYS A 44 -8.022 21.818 75.124 1.00 56.74 0.242 C +ATOM 405 O CYS A 44 -7.859 22.241 73.976 1.00 54.23 -0.271 OA +ATOM 406 CB CYS A 44 -10.057 20.592 75.883 1.00 52.03 0.120 C +ATOM 407 SG CYS A 44 -11.790 20.639 76.366 1.00 57.89 -0.095 SA +ATOM 408 N THR A 45 -7.064 21.219 75.820 1.00 61.24 -0.344 N +ATOM 409 HN THR A 45 -7.235 21.025 76.807 1.00 0.00 0.163 HD +ATOM 410 CA THR A 45 -5.783 20.824 75.253 1.00 65.40 0.205 C +ATOM 411 C THR A 45 -5.623 19.313 75.424 1.00 65.43 0.243 C +ATOM 412 O THR A 45 -6.547 18.617 75.855 1.00 65.90 -0.271 OA +ATOM 413 CB THR A 45 -4.635 21.607 75.896 1.00 69.65 0.146 C +ATOM 414 CG2 THR A 45 -4.399 21.145 77.328 1.00 66.61 0.042 C +ATOM 415 OG1 THR A 45 -3.438 21.416 75.131 1.00 75.39 -0.393 OA +ATOM 416 HG1 THR A 45 -2.726 21.902 75.530 1.00 0.00 0.210 HD +ATOM 417 N SER A 46 -4.437 18.804 75.082 1.00 68.52 -0.344 N +ATOM 418 HN SER A 46 -3.676 19.427 74.810 1.00 0.00 0.163 HD +ATOM 419 CA SER A 46 -4.225 17.360 75.096 1.00 68.51 0.200 C +ATOM 420 C SER A 46 -4.359 16.773 76.496 1.00 69.36 0.243 C +ATOM 421 O SER A 46 -4.830 15.640 76.649 1.00 71.42 -0.271 OA +ATOM 422 CB SER A 46 -2.855 17.028 74.504 1.00 67.95 0.199 C +ATOM 423 OG SER A 46 -2.750 17.507 73.174 1.00 67.72 -0.398 OA +ATOM 424 HG SER A 46 -1.899 17.301 72.806 1.00 0.00 0.209 HD +ATOM 425 N GLU A 47 -3.965 17.521 77.527 1.00 70.96 -0.346 N +ATOM 426 HN GLU A 47 -3.599 18.457 77.356 1.00 0.00 0.163 HD +ATOM 427 CA GLU A 47 -4.049 17.023 78.895 1.00 70.54 0.177 C +ATOM 428 C GLU A 47 -5.452 17.117 79.482 1.00 69.09 0.241 C +ATOM 429 O GLU A 47 -5.693 16.560 80.559 1.00 69.43 -0.271 OA +ATOM 430 CB GLU A 47 -3.065 17.782 79.791 1.00 71.46 0.045 C +ATOM 431 CG GLU A 47 -2.573 16.982 80.987 1.00 79.64 0.116 C +ATOM 432 CD GLU A 47 -1.180 17.384 81.429 1.00 85.00 0.172 C +ATOM 433 OE1 GLU A 47 -1.058 18.045 82.481 1.00 85.44 -0.648 OA +ATOM 434 OE2 GLU A 47 -0.209 17.036 80.725 1.00 82.68 -0.648 OA +ATOM 435 N ASP A 48 -6.379 17.796 78.807 1.00 67.45 -0.346 N +ATOM 436 HN ASP A 48 -6.130 18.222 77.914 1.00 0.00 0.163 HD +ATOM 437 CA ASP A 48 -7.738 17.946 79.309 1.00 66.01 0.186 C +ATOM 438 C ASP A 48 -8.702 16.904 78.758 1.00 61.87 0.241 C +ATOM 439 O ASP A 48 -9.706 16.606 79.414 1.00 57.55 -0.271 OA +ATOM 440 CB ASP A 48 -8.281 19.339 78.967 1.00 67.91 0.147 C +ATOM 441 CG ASP A 48 -7.577 20.447 79.727 1.00 70.82 0.175 C +ATOM 442 OD1 ASP A 48 -7.511 20.368 80.972 1.00 74.63 -0.648 OA +ATOM 443 OD2 ASP A 48 -7.100 21.402 79.079 1.00 65.47 -0.648 OA +ATOM 444 N MET A 49 -8.413 16.332 77.588 1.00 64.80 -0.346 N +ATOM 445 HN MET A 49 -7.465 16.408 77.218 1.00 0.00 0.163 HD +ATOM 446 CA MET A 49 -9.418 15.600 76.823 1.00 61.58 0.177 C +ATOM 447 C MET A 49 -9.793 14.249 77.421 1.00 54.59 0.241 C +ATOM 448 O MET A 49 -10.736 13.623 76.925 1.00 50.82 -0.271 OA +ATOM 449 CB MET A 49 -8.930 15.410 75.386 1.00 62.15 0.045 C +ATOM 450 CG MET A 49 -8.934 16.691 74.567 1.00 60.24 0.076 C +ATOM 451 SD MET A 49 -8.229 16.487 72.920 1.00 77.15 -0.173 SA +ATOM 452 CE MET A 49 -8.703 18.038 72.158 1.00 60.34 0.089 C +ATOM 453 N LEU A 50 -9.098 13.777 78.459 1.00 55.58 -0.346 N +ATOM 454 HN LEU A 50 -8.311 14.307 78.833 1.00 0.00 0.163 HD +ATOM 455 CA LEU A 50 -9.472 12.497 79.056 1.00 50.20 0.177 C +ATOM 456 C LEU A 50 -10.771 12.620 79.843 1.00 50.23 0.241 C +ATOM 457 O LEU A 50 -11.702 11.828 79.656 1.00 53.98 -0.271 OA +ATOM 458 CB LEU A 50 -8.348 11.972 79.949 1.00 56.38 0.038 C +ATOM 459 CG LEU A 50 -8.686 10.683 80.706 1.00 56.22 -0.020 C +ATOM 460 CD1 LEU A 50 -9.083 9.574 79.738 1.00 54.68 0.009 C +ATOM 461 CD2 LEU A 50 -7.524 10.242 81.582 1.00 61.06 0.009 C +ATOM 462 N ASN A 51 -10.852 13.606 80.734 1.00 54.23 -0.346 N +ATOM 463 HN ASN A 51 -10.034 14.195 80.892 1.00 0.00 0.163 HD +ATOM 464 CA ASN A 51 -12.073 13.874 81.495 1.00 56.71 0.185 C +ATOM 465 C ASN A 51 -12.099 15.344 81.875 1.00 53.53 0.243 C +ATOM 466 O ASN A 51 -11.754 15.724 83.001 1.00 59.55 -0.271 OA +ATOM 467 CB ASN A 51 -12.165 12.987 82.737 1.00 60.04 0.137 C +ATOM 468 CG ASN A 51 -13.429 13.238 83.538 1.00 66.55 0.217 C +ATOM 469 ND2 ASN A 51 -13.266 13.713 84.768 1.00 64.37 -0.370 N +ATOM 470 1HD2 ASN A 51 -14.116 13.882 85.306 1.00 0.00 0.159 HD +ATOM 471 2HD2 ASN A 51 -12.346 13.900 85.167 1.00 0.00 0.159 HD +ATOM 472 OD1 ASN A 51 -14.540 13.012 83.056 1.00 68.23 -0.274 OA +ATOM 473 N PRO A 52 -12.498 16.214 80.948 1.00 51.24 -0.337 N +ATOM 474 CA PRO A 52 -12.552 17.645 81.255 1.00 51.92 0.179 C +ATOM 475 C PRO A 52 -13.895 18.065 81.828 1.00 44.57 0.241 C +ATOM 476 O PRO A 52 -14.959 17.609 81.403 1.00 48.93 -0.271 OA +ATOM 477 CB PRO A 52 -12.320 18.290 79.883 1.00 53.34 0.037 C +ATOM 478 CG PRO A 52 -12.940 17.322 78.923 1.00 53.26 0.022 C +ATOM 479 CD PRO A 52 -12.813 15.939 79.534 1.00 52.84 0.127 C +ATOM 480 N ASN A 53 -13.837 18.944 82.824 1.00 42.70 -0.346 N +ATOM 481 HN ASN A 53 -12.935 19.145 83.255 1.00 0.00 0.163 HD +ATOM 482 CA ASN A 53 -15.027 19.629 83.318 1.00 41.54 0.185 C +ATOM 483 C ASN A 53 -15.147 20.918 82.518 1.00 45.98 0.241 C +ATOM 484 O ASN A 53 -14.410 21.880 82.750 1.00 43.49 -0.271 OA +ATOM 485 CB ASN A 53 -14.935 19.889 84.817 1.00 47.59 0.137 C +ATOM 486 CG ASN A 53 -16.245 20.385 85.400 1.00 50.78 0.217 C +ATOM 487 ND2 ASN A 53 -16.830 19.598 86.295 1.00 58.51 -0.370 N +ATOM 488 1HD2 ASN A 53 -17.711 19.931 86.687 1.00 0.00 0.159 HD +ATOM 489 2HD2 ASN A 53 -16.428 18.709 86.591 1.00 0.00 0.159 HD +ATOM 490 OD1 ASN A 53 -16.730 21.458 85.043 1.00 49.11 -0.274 OA +ATOM 491 N TYR A 54 -16.074 20.929 81.559 1.00 41.02 -0.346 N +ATOM 492 HN TYR A 54 -16.750 20.167 81.500 1.00 0.00 0.163 HD +ATOM 493 CA TYR A 54 -16.130 22.020 80.594 1.00 37.74 0.180 C +ATOM 494 C TYR A 54 -16.556 23.333 81.234 1.00 36.00 0.241 C +ATOM 495 O TYR A 54 -16.115 24.400 80.794 1.00 38.89 -0.271 OA +ATOM 496 CB TYR A 54 -17.070 21.652 79.448 1.00 36.00 0.073 C +ATOM 497 CG TYR A 54 -16.478 20.641 78.495 1.00 32.02 -0.056 A +ATOM 498 CD1 TYR A 54 -15.662 21.044 77.448 1.00 36.25 0.010 A +ATOM 499 CD2 TYR A 54 -16.725 19.284 78.648 1.00 36.73 0.010 A +ATOM 500 CE1 TYR A 54 -15.118 20.125 76.574 1.00 40.78 0.037 A +ATOM 501 CE2 TYR A 54 -16.184 18.357 77.779 1.00 37.10 0.037 A +ATOM 502 CZ TYR A 54 -15.380 18.784 76.744 1.00 36.90 0.065 A +ATOM 503 OH TYR A 54 -14.835 17.868 75.874 1.00 37.87 -0.361 OA +ATOM 504 HH TYR A 54 -15.016 16.943 75.991 1.00 0.00 0.217 HD +ATOM 505 N GLU A 55 -17.407 23.288 82.262 1.00 37.41 -0.346 N +ATOM 506 HN GLU A 55 -17.783 22.395 82.581 1.00 0.00 0.163 HD +ATOM 507 CA GLU A 55 -17.793 24.529 82.925 1.00 46.21 0.177 C +ATOM 508 C GLU A 55 -16.624 25.125 83.697 1.00 40.08 0.241 C +ATOM 509 O GLU A 55 -16.481 26.352 83.769 1.00 45.60 -0.271 OA +ATOM 510 CB GLU A 55 -18.986 24.296 83.851 1.00 47.59 0.045 C +ATOM 511 CG GLU A 55 -20.340 24.679 83.246 1.00 53.59 0.116 C +ATOM 512 CD GLU A 55 -20.351 26.046 82.565 1.00 58.43 0.172 C +ATOM 513 OE1 GLU A 55 -19.654 26.974 83.035 1.00 62.86 -0.648 OA +ATOM 514 OE2 GLU A 55 -21.061 26.193 81.549 1.00 60.77 -0.648 OA +ATOM 515 N ASP A 56 -15.777 24.274 84.281 1.00 40.14 -0.346 N +ATOM 516 HN ASP A 56 -15.982 23.275 84.285 1.00 0.00 0.163 HD +ATOM 517 CA ASP A 56 -14.560 24.768 84.913 1.00 46.72 0.186 C +ATOM 518 C ASP A 56 -13.630 25.396 83.885 1.00 46.75 0.241 C +ATOM 519 O ASP A 56 -13.065 26.470 84.120 1.00 41.56 -0.271 OA +ATOM 520 CB ASP A 56 -13.852 23.632 85.650 1.00 47.88 0.147 C +ATOM 521 CG ASP A 56 -14.054 23.692 87.150 1.00 55.58 0.175 C +ATOM 522 OD1 ASP A 56 -14.694 24.652 87.627 1.00 58.88 -0.648 OA +ATOM 523 OD2 ASP A 56 -13.573 22.778 87.852 1.00 63.71 -0.648 OA +ATOM 524 N LEU A 57 -13.470 24.746 82.729 1.00 42.40 -0.346 N +ATOM 525 HN LEU A 57 -13.989 23.885 82.558 1.00 0.00 0.163 HD +ATOM 526 CA LEU A 57 -12.561 25.256 81.710 1.00 39.63 0.177 C +ATOM 527 C LEU A 57 -13.090 26.528 81.064 1.00 40.16 0.241 C +ATOM 528 O LEU A 57 -12.300 27.389 80.662 1.00 40.96 -0.271 OA +ATOM 529 CB LEU A 57 -12.313 24.186 80.646 1.00 42.67 0.038 C +ATOM 530 CG LEU A 57 -11.561 22.936 81.105 1.00 50.37 -0.020 C +ATOM 531 CD1 LEU A 57 -11.538 21.886 80.006 1.00 49.87 0.009 C +ATOM 532 CD2 LEU A 57 -10.148 23.290 81.543 1.00 49.56 0.009 C +ATOM 533 N LEU A 58 -14.413 26.670 80.954 1.00 38.25 -0.346 N +ATOM 534 HN LEU A 58 -15.035 25.960 81.341 1.00 0.00 0.163 HD +ATOM 535 CA LEU A 58 -14.972 27.838 80.281 1.00 40.40 0.177 C +ATOM 536 C LEU A 58 -14.925 29.078 81.165 1.00 39.95 0.241 C +ATOM 537 O LEU A 58 -14.673 30.183 80.671 1.00 35.67 -0.271 OA +ATOM 538 CB LEU A 58 -16.408 27.563 79.840 1.00 36.53 0.038 C +ATOM 539 CG LEU A 58 -17.019 28.704 79.024 1.00 40.35 -0.020 C +ATOM 540 CD1 LEU A 58 -16.204 28.953 77.763 1.00 39.04 0.009 C +ATOM 541 CD2 LEU A 58 -18.469 28.424 78.686 1.00 45.58 0.009 C +ATOM 542 N ILE A 59 -15.171 28.920 82.469 1.00 42.81 -0.346 N +ATOM 543 HN ILE A 59 -15.387 27.993 82.836 1.00 0.00 0.163 HD +ATOM 544 CA ILE A 59 -15.132 30.065 83.370 1.00 40.37 0.180 C +ATOM 545 C ILE A 59 -13.727 30.640 83.487 1.00 35.67 0.241 C +ATOM 546 O ILE A 59 -13.564 31.788 83.915 1.00 46.91 -0.271 OA +ATOM 547 CB ILE A 59 -15.689 29.679 84.755 1.00 42.33 0.013 C +ATOM 548 CG1 ILE A 59 -16.261 30.909 85.466 1.00 48.47 0.002 C +ATOM 549 CG2 ILE A 59 -14.614 29.017 85.607 1.00 37.96 0.012 C +ATOM 550 CD1 ILE A 59 -17.496 31.479 84.802 1.00 52.04 0.005 C +ATOM 551 N ARG A 60 -12.704 29.876 83.107 1.00 37.38 -0.346 N +ATOM 552 HN ARG A 60 -12.894 28.924 82.793 1.00 0.00 0.163 HD +ATOM 553 CA ARG A 60 -11.325 30.345 83.122 1.00 39.45 0.176 C +ATOM 554 C ARG A 60 -10.927 31.042 81.829 1.00 40.28 0.241 C +ATOM 555 O ARG A 60 -9.770 31.449 81.690 1.00 42.72 -0.271 OA +ATOM 556 CB ARG A 60 -10.372 29.178 83.392 1.00 37.15 0.036 C +ATOM 557 CG ARG A 60 -10.613 28.483 84.719 1.00 36.47 0.023 C +ATOM 558 CD ARG A 60 -9.772 27.226 84.842 1.00 36.22 0.138 C +ATOM 559 NE ARG A 60 -10.147 26.436 86.010 1.00 42.15 -0.227 N +ATOM 560 HE ARG A 60 -10.824 26.836 86.660 1.00 0.00 0.177 HD +ATOM 561 CZ ARG A 60 -9.663 25.229 86.281 1.00 54.61 0.665 C +ATOM 562 NH1 ARG A 60 -8.779 24.669 85.466 1.00 54.73 -0.235 N +ATOM 563 1HH1 ARG A 60 -8.407 23.742 85.674 1.00 0.00 0.174 HD +ATOM 564 2HH1 ARG A 60 -8.473 25.166 84.630 1.00 0.00 0.174 HD +ATOM 565 NH2 ARG A 60 -10.061 24.583 87.368 1.00 53.63 -0.235 N +ATOM 566 1HH2 ARG A 60 -9.689 23.656 87.576 1.00 0.00 0.174 HD +ATOM 567 2HH2 ARG A 60 -10.741 25.014 87.995 1.00 0.00 0.174 HD +ATOM 568 N LYS A 61 -11.851 31.186 80.886 1.00 38.95 -0.346 N +ATOM 569 HN LYS A 61 -12.776 30.790 81.052 1.00 0.00 0.163 HD +ATOM 570 CA LYS A 61 -11.614 31.878 79.631 1.00 39.80 0.176 C +ATOM 571 C LYS A 61 -12.501 33.114 79.543 1.00 39.96 0.241 C +ATOM 572 O LYS A 61 -13.520 33.229 80.229 1.00 41.63 -0.271 OA +ATOM 573 CB LYS A 61 -11.880 30.960 78.431 1.00 42.50 0.035 C +ATOM 574 CG LYS A 61 -11.268 29.575 78.554 1.00 40.30 0.004 C +ATOM 575 CD LYS A 61 -10.068 29.419 77.632 1.00 43.28 0.027 C +ATOM 576 CE LYS A 61 -9.474 28.023 77.733 1.00 50.52 0.229 C +ATOM 577 NZ LYS A 61 -9.547 27.496 79.124 1.00 57.16 -0.079 N +ATOM 578 HZ1 LYS A 61 -9.149 26.560 79.192 1.00 0.00 0.274 HD +ATOM 579 HZ2 LYS A 61 -10.502 27.522 79.483 1.00 0.00 0.274 HD +ATOM 580 HZ3 LYS A 61 -9.111 28.136 79.788 1.00 0.00 0.274 HD +ATOM 581 N SER A 62 -12.092 34.048 78.691 1.00 36.02 -0.344 N +ATOM 582 HN SER A 62 -11.191 33.925 78.228 1.00 0.00 0.163 HD +ATOM 583 CA SER A 62 -12.873 35.239 78.389 1.00 45.54 0.200 C +ATOM 584 C SER A 62 -12.968 35.395 76.875 1.00 46.47 0.243 C +ATOM 585 O SER A 62 -12.510 34.540 76.110 1.00 42.97 -0.271 OA +ATOM 586 CB SER A 62 -12.264 36.486 79.042 1.00 50.61 0.199 C +ATOM 587 OG SER A 62 -10.909 36.647 78.674 1.00 52.06 -0.398 OA +ATOM 588 HG SER A 62 -10.532 37.419 79.078 1.00 0.00 0.209 HD +ATOM 589 N ASN A 63 -13.570 36.504 76.440 1.00 45.75 -0.345 N +ATOM 590 HN ASN A 63 -13.856 37.220 77.108 1.00 0.00 0.163 HD +ATOM 591 CA ASN A 63 -13.822 36.700 75.016 1.00 46.75 0.185 C +ATOM 592 C ASN A 63 -12.531 36.844 74.220 1.00 48.42 0.241 C +ATOM 593 O ASN A 63 -12.477 36.432 73.056 1.00 43.99 -0.271 OA +ATOM 594 CB ASN A 63 -14.714 37.922 74.809 1.00 48.34 0.137 C +ATOM 595 CG ASN A 63 -16.120 37.707 75.325 1.00 48.12 0.217 C +ATOM 596 ND2 ASN A 63 -16.859 38.794 75.499 1.00 52.25 -0.370 N +ATOM 597 1HD2 ASN A 63 -17.807 38.649 75.847 1.00 0.00 0.159 HD +ATOM 598 2HD2 ASN A 63 -16.513 39.732 75.298 1.00 0.00 0.159 HD +ATOM 599 OD1 ASN A 63 -16.538 36.575 75.568 1.00 47.86 -0.274 OA +ATOM 600 N HIS A 64 -11.487 37.413 74.824 1.00 42.81 -0.346 N +ATOM 601 HN HIS A 64 -11.571 37.719 75.793 1.00 0.00 0.163 HD +ATOM 602 CA HIS A 64 -10.226 37.603 74.116 1.00 47.58 0.182 C +ATOM 603 C HIS A 64 -9.485 36.297 73.861 1.00 45.70 0.241 C +ATOM 604 O HIS A 64 -8.532 36.293 73.074 1.00 44.67 -0.271 OA +ATOM 605 CB HIS A 64 -9.326 38.562 74.897 1.00 55.48 0.093 C +ATOM 606 CG HIS A 64 -8.487 37.890 75.939 1.00 57.45 0.028 A +ATOM 607 CD2 HIS A 64 -7.155 37.652 75.995 1.00 62.77 0.114 A +ATOM 608 ND1 HIS A 64 -9.018 37.366 77.098 1.00 65.64 -0.354 N +ATOM 609 HD1 HIS A 64 -10.005 37.384 77.355 1.00 0.00 0.166 HD +ATOM 610 CE1 HIS A 64 -8.049 36.837 77.824 1.00 67.36 0.180 A +ATOM 611 NE2 HIS A 64 -6.909 36.998 77.177 1.00 70.85 -0.360 N +ATOM 612 HE2 HIS A 64 -5.994 36.687 77.503 1.00 0.00 0.166 HD +ATOM 613 N ASN A 65 -9.891 35.199 74.500 1.00 46.87 -0.346 N +ATOM 614 HN ASN A 65 -10.685 35.261 75.138 1.00 0.00 0.163 HD +ATOM 615 CA ASN A 65 -9.232 33.913 74.312 1.00 42.60 0.185 C +ATOM 616 C ASN A 65 -9.683 33.191 73.049 1.00 43.44 0.241 C +ATOM 617 O ASN A 65 -9.116 32.144 72.720 1.00 45.20 -0.271 OA +ATOM 618 CB ASN A 65 -9.479 33.014 75.528 1.00 43.59 0.137 C +ATOM 619 CG ASN A 65 -8.871 33.572 76.800 1.00 48.45 0.217 C +ATOM 620 ND2 ASN A 65 -7.579 33.875 76.756 1.00 48.19 -0.370 N +ATOM 621 1HD2 ASN A 65 -7.170 34.250 77.612 1.00 0.00 0.159 HD +ATOM 622 2HD2 ASN A 65 -7.013 33.748 75.917 1.00 0.00 0.159 HD +ATOM 623 OD1 ASN A 65 -9.554 33.725 77.813 1.00 45.49 -0.274 OA +ATOM 624 N PHE A 66 -10.676 33.718 72.338 1.00 38.08 -0.346 N +ATOM 625 HN PHE A 66 -11.065 34.613 72.635 1.00 0.00 0.163 HD +ATOM 626 CA PHE A 66 -11.234 33.076 71.155 1.00 40.63 0.180 C +ATOM 627 C PHE A 66 -10.905 33.913 69.926 1.00 41.32 0.241 C +ATOM 628 O PHE A 66 -11.373 35.049 69.799 1.00 44.74 -0.271 OA +ATOM 629 CB PHE A 66 -12.747 32.898 71.288 1.00 38.85 0.073 C +ATOM 630 CG PHE A 66 -13.155 31.991 72.414 1.00 39.29 -0.056 A +ATOM 631 CD1 PHE A 66 -13.187 30.616 72.245 1.00 37.23 0.007 A +ATOM 632 CD2 PHE A 66 -13.506 32.517 73.646 1.00 37.37 0.007 A +ATOM 633 CE1 PHE A 66 -13.564 29.783 73.286 1.00 36.49 0.001 A +ATOM 634 CE2 PHE A 66 -13.883 31.691 74.689 1.00 35.33 0.001 A +ATOM 635 CZ PHE A 66 -13.912 30.323 74.509 1.00 43.59 0.000 A +ATOM 636 N LEU A 67 -10.106 33.350 69.026 1.00 37.46 -0.346 N +ATOM 637 HN LEU A 67 -9.717 32.429 69.229 1.00 0.00 0.163 HD +ATOM 638 CA LEU A 67 -9.759 33.989 67.760 1.00 39.60 0.177 C +ATOM 639 C LEU A 67 -10.605 33.356 66.658 1.00 45.47 0.241 C +ATOM 640 O LEU A 67 -10.447 32.170 66.353 1.00 47.86 -0.271 OA +ATOM 641 CB LEU A 67 -8.267 33.836 67.459 1.00 41.67 0.038 C +ATOM 642 CG LEU A 67 -7.852 34.306 66.063 1.00 50.78 -0.020 C +ATOM 643 CD1 LEU A 67 -7.697 35.811 66.075 1.00 54.65 0.009 C +ATOM 644 CD2 LEU A 67 -6.565 33.632 65.596 1.00 53.28 0.009 C +ATOM 645 N VAL A 68 -11.503 34.139 66.068 1.00 41.73 -0.346 N +ATOM 646 HN VAL A 68 -11.573 35.112 66.367 1.00 0.00 0.163 HD +ATOM 647 CA VAL A 68 -12.392 33.669 65.012 1.00 41.94 0.180 C +ATOM 648 C VAL A 68 -11.961 34.319 63.703 1.00 48.24 0.241 C +ATOM 649 O VAL A 68 -11.912 35.551 63.596 1.00 48.40 -0.271 OA +ATOM 650 CB VAL A 68 -13.860 33.983 65.332 1.00 43.81 0.009 C +ATOM 651 CG1 VAL A 68 -14.762 33.503 64.202 1.00 38.39 0.012 C +ATOM 652 CG2 VAL A 68 -14.269 33.341 66.650 1.00 37.29 0.012 C +ATOM 653 N GLN A 69 -11.657 33.492 62.708 1.00 42.65 -0.346 N +ATOM 654 HN GLN A 69 -11.743 32.488 62.865 1.00 0.00 0.163 HD +ATOM 655 CA GLN A 69 -11.207 33.957 61.403 1.00 40.20 0.177 C +ATOM 656 C GLN A 69 -12.207 33.536 60.335 1.00 45.19 0.241 C +ATOM 657 O GLN A 69 -12.541 32.352 60.222 1.00 41.18 -0.271 OA +ATOM 658 CB GLN A 69 -9.818 33.404 61.068 1.00 42.53 0.044 C +ATOM 659 CG GLN A 69 -8.666 34.243 61.596 1.00 48.54 0.105 C +ATOM 660 CD GLN A 69 -7.348 33.493 61.584 1.00 53.50 0.215 C +ATOM 661 NE2 GLN A 69 -6.378 34.008 60.836 1.00 54.98 -0.370 N +ATOM 662 1HE2 GLN A 69 -5.492 33.504 60.828 1.00 0.00 0.159 HD +ATOM 663 2HE2 GLN A 69 -6.498 34.864 60.295 1.00 0.00 0.159 HD +ATOM 664 OE1 GLN A 69 -7.203 32.459 62.237 1.00 58.04 -0.274 OA +ATOM 665 N ALA A 70 -12.681 34.506 59.560 1.00 47.87 -0.346 N +ATOM 666 HN ALA A 70 -12.425 35.469 59.780 1.00 0.00 0.163 HD +ATOM 667 CA ALA A 70 -13.549 34.265 58.410 1.00 48.51 0.172 C +ATOM 668 C ALA A 70 -12.748 34.645 57.168 1.00 53.00 0.240 C +ATOM 669 O ALA A 70 -12.752 35.799 56.736 1.00 57.30 -0.271 OA +ATOM 670 CB ALA A 70 -14.847 35.058 58.519 1.00 42.49 0.042 C +ATOM 671 N GLY A 71 -12.057 33.663 56.597 1.00 51.17 -0.351 N +ATOM 672 HN GLY A 71 -12.201 32.702 56.908 1.00 0.00 0.163 HD +ATOM 673 CA GLY A 71 -11.104 33.933 55.542 1.00 53.14 0.225 C +ATOM 674 C GLY A 71 -9.906 34.691 56.072 1.00 60.48 0.236 C +ATOM 675 O GLY A 71 -9.224 34.222 56.987 1.00 64.43 -0.272 OA +ATOM 676 N ASN A 72 -9.640 35.867 55.512 1.00 64.84 -0.346 N +ATOM 677 HN ASN A 72 -10.181 36.164 54.700 1.00 0.00 0.163 HD +ATOM 678 CA ASN A 72 -8.597 36.742 56.027 1.00 65.70 0.185 C +ATOM 679 C ASN A 72 -9.132 37.775 57.010 1.00 67.64 0.241 C +ATOM 680 O ASN A 72 -8.343 38.534 57.581 1.00 70.47 -0.271 OA +ATOM 681 CB ASN A 72 -7.880 37.452 54.873 1.00 67.25 0.137 C +ATOM 682 CG ASN A 72 -6.610 36.741 54.452 1.00 69.63 0.217 C +ATOM 683 ND2 ASN A 72 -5.498 37.089 55.090 1.00 66.84 -0.370 N +ATOM 684 1HD2 ASN A 72 -4.643 36.610 54.807 1.00 0.00 0.159 HD +ATOM 685 2HD2 ASN A 72 -5.484 37.796 55.826 1.00 0.00 0.159 HD +ATOM 686 OD1 ASN A 72 -6.627 35.888 53.564 1.00 69.66 -0.274 OA +ATOM 687 N VAL A 73 -10.444 37.816 57.223 1.00 62.71 -0.346 N +ATOM 688 HN VAL A 73 -11.041 37.152 56.731 1.00 0.00 0.163 HD +ATOM 689 CA VAL A 73 -11.062 38.773 58.132 1.00 57.40 0.180 C +ATOM 690 C VAL A 73 -11.174 38.141 59.513 1.00 57.48 0.241 C +ATOM 691 O VAL A 73 -11.630 36.999 59.649 1.00 52.71 -0.271 OA +ATOM 692 CB VAL A 73 -12.442 39.212 57.614 1.00 56.38 0.009 C +ATOM 693 CG1 VAL A 73 -13.041 40.275 58.524 1.00 55.15 0.012 C +ATOM 694 CG2 VAL A 73 -12.335 39.721 56.185 1.00 57.14 0.012 C +ATOM 695 N GLN A 74 -10.758 38.880 60.536 1.00 55.65 -0.346 N +ATOM 696 HN GLN A 74 -10.351 39.796 60.344 1.00 0.00 0.163 HD +ATOM 697 CA GLN A 74 -10.859 38.437 61.918 1.00 54.17 0.177 C +ATOM 698 C GLN A 74 -12.094 39.047 62.567 1.00 52.79 0.241 C +ATOM 699 O GLN A 74 -12.364 40.241 62.413 1.00 57.72 -0.271 OA +ATOM 700 CB GLN A 74 -9.607 38.823 62.709 1.00 51.64 0.044 C +ATOM 701 CG GLN A 74 -9.667 38.459 64.183 1.00 59.47 0.105 C +ATOM 702 CD GLN A 74 -8.486 39.001 64.964 1.00 65.67 0.215 C +ATOM 703 NE2 GLN A 74 -8.624 39.053 66.284 1.00 60.42 -0.370 N +ATOM 704 1HE2 GLN A 74 -7.829 39.418 66.809 1.00 0.00 0.159 HD +ATOM 705 2HE2 GLN A 74 -9.471 38.745 66.762 1.00 0.00 0.159 HD +ATOM 706 OE1 GLN A 74 -7.464 39.373 64.387 1.00 68.08 -0.274 OA +ATOM 707 N LEU A 75 -12.844 38.219 63.287 1.00 49.98 -0.346 N +ATOM 708 HN LEU A 75 -12.576 37.236 63.342 1.00 0.00 0.163 HD +ATOM 709 CA LEU A 75 -14.034 38.661 64.001 1.00 45.97 0.177 C +ATOM 710 C LEU A 75 -13.722 38.758 65.487 1.00 51.19 0.241 C +ATOM 711 O LEU A 75 -13.122 37.842 66.061 1.00 51.25 -0.271 OA +ATOM 712 CB LEU A 75 -15.203 37.701 63.771 1.00 45.98 0.038 C +ATOM 713 CG LEU A 75 -15.397 37.124 62.366 1.00 46.40 -0.020 C +ATOM 714 CD1 LEU A 75 -16.637 36.245 62.327 1.00 43.70 0.009 C +ATOM 715 CD2 LEU A 75 -15.490 38.228 61.323 1.00 46.98 0.009 C +ATOM 716 N ARG A 76 -14.125 39.864 66.105 1.00 47.70 -0.346 N +ATOM 717 HN ARG A 76 -14.587 40.595 65.564 1.00 0.00 0.163 HD +ATOM 718 CA ARG A 76 -13.924 40.058 67.533 1.00 48.38 0.176 C +ATOM 719 C ARG A 76 -15.060 39.403 68.306 1.00 39.67 0.241 C +ATOM 720 O ARG A 76 -16.236 39.687 68.055 1.00 42.34 -0.271 OA +ATOM 721 CB ARG A 76 -13.840 41.545 67.879 1.00 50.15 0.036 C +ATOM 722 CG ARG A 76 -13.612 41.813 69.360 1.00 52.87 0.023 C +ATOM 723 CD ARG A 76 -13.416 43.294 69.645 1.00 55.14 0.138 C +ATOM 724 NE ARG A 76 -14.581 44.088 69.265 1.00 64.31 -0.227 N +ATOM 725 HE ARG A 76 -15.414 44.025 69.851 1.00 0.00 0.177 HD +ATOM 726 CZ ARG A 76 -14.626 44.888 68.204 1.00 67.73 0.665 C +ATOM 727 NH1 ARG A 76 -13.568 45.003 67.413 1.00 66.74 -0.235 N +ATOM 728 1HH1 ARG A 76 -13.603 45.617 66.599 1.00 0.00 0.174 HD +ATOM 729 2HH1 ARG A 76 -12.720 44.476 67.621 1.00 0.00 0.174 HD +ATOM 730 NH2 ARG A 76 -15.728 45.573 67.934 1.00 66.20 -0.235 N +ATOM 731 1HH2 ARG A 76 -15.763 46.187 67.120 1.00 0.00 0.174 HD +ATOM 732 2HH2 ARG A 76 -16.542 45.485 68.542 1.00 0.00 0.174 HD +ATOM 733 N VAL A 77 -14.705 38.525 69.239 1.00 40.40 -0.346 N +ATOM 734 HN VAL A 77 -13.716 38.306 69.362 1.00 0.00 0.163 HD +ATOM 735 CA VAL A 77 -15.688 37.865 70.092 1.00 41.40 0.180 C +ATOM 736 C VAL A 77 -16.126 38.862 71.160 1.00 42.42 0.241 C +ATOM 737 O VAL A 77 -15.323 39.286 71.994 1.00 41.41 -0.271 OA +ATOM 738 CB VAL A 77 -15.122 36.588 70.720 1.00 42.39 0.009 C +ATOM 739 CG1 VAL A 77 -16.166 35.927 71.607 1.00 42.45 0.012 C +ATOM 740 CG2 VAL A 77 -14.650 35.629 69.637 1.00 45.27 0.012 C +ATOM 741 N ILE A 78 -17.404 39.247 71.130 1.00 45.11 -0.346 N +ATOM 742 HN ILE A 78 -18.013 38.882 70.398 1.00 0.00 0.163 HD +ATOM 743 CA ILE A 78 -17.956 40.173 72.111 1.00 47.98 0.180 C +ATOM 744 C ILE A 78 -18.777 39.464 73.176 1.00 45.95 0.241 C +ATOM 745 O ILE A 78 -19.370 40.129 74.037 1.00 46.80 -0.271 OA +ATOM 746 CB ILE A 78 -18.805 41.263 71.426 1.00 45.44 0.013 C +ATOM 747 CG1 ILE A 78 -19.998 40.633 70.705 1.00 46.53 0.002 C +ATOM 748 CG2 ILE A 78 -17.953 42.068 70.458 1.00 49.79 0.012 C +ATOM 749 CD1 ILE A 78 -21.254 41.473 70.759 1.00 46.96 0.005 C +ATOM 750 N GLY A 79 -18.825 38.136 73.148 1.00 44.35 -0.351 N +ATOM 751 HN GLY A 79 -18.320 37.640 72.413 1.00 0.00 0.163 HD +ATOM 752 CA GLY A 79 -19.570 37.368 74.125 1.00 40.60 0.225 C +ATOM 753 C GLY A 79 -19.483 35.882 73.851 1.00 41.13 0.236 C +ATOM 754 O GLY A 79 -19.364 35.467 72.694 1.00 40.70 -0.272 OA +ATOM 755 N HIS A 80 -19.532 35.067 74.901 1.00 38.25 -0.346 N +ATOM 756 HN HIS A 80 -19.623 35.466 75.835 1.00 0.00 0.163 HD +ATOM 757 CA HIS A 80 -19.459 33.623 74.754 1.00 43.22 0.182 C +ATOM 758 C HIS A 80 -20.447 32.967 75.705 1.00 45.13 0.241 C +ATOM 759 O HIS A 80 -20.775 33.515 76.761 1.00 41.76 -0.271 OA +ATOM 760 CB HIS A 80 -18.040 33.094 75.012 1.00 41.39 0.093 C +ATOM 761 CG HIS A 80 -17.537 33.357 76.396 1.00 48.48 0.028 A +ATOM 762 CD2 HIS A 80 -17.684 32.660 77.547 1.00 46.89 0.114 A +ATOM 763 ND1 HIS A 80 -16.769 34.457 76.711 1.00 51.98 -0.354 N +ATOM 764 HD1 HIS A 80 -16.477 35.180 76.053 1.00 0.00 0.166 HD +ATOM 765 CE1 HIS A 80 -16.469 34.429 77.998 1.00 48.92 0.180 A +ATOM 766 NE2 HIS A 80 -17.012 33.348 78.528 1.00 50.90 -0.360 N +ATOM 767 HE2 HIS A 80 -16.944 33.069 79.507 1.00 0.00 0.166 HD +ATOM 768 N SER A 81 -20.917 31.785 75.316 1.00 38.75 -0.344 N +ATOM 769 HN SER A 81 -20.588 31.387 74.436 1.00 0.00 0.163 HD +ATOM 770 CA SER A 81 -21.886 31.042 76.106 1.00 41.79 0.200 C +ATOM 771 C SER A 81 -21.831 29.580 75.694 1.00 40.92 0.243 C +ATOM 772 O SER A 81 -21.705 29.270 74.506 1.00 45.55 -0.271 OA +ATOM 773 CB SER A 81 -23.301 31.598 75.918 1.00 43.04 0.199 C +ATOM 774 OG SER A 81 -24.271 30.573 76.035 1.00 52.68 -0.398 OA +ATOM 775 HG SER A 81 -25.149 30.918 75.918 1.00 0.00 0.209 HD +ATOM 776 N MET A 82 -21.922 28.691 76.677 1.00 35.70 -0.346 N +ATOM 777 HN MET A 82 -21.976 29.025 77.639 1.00 0.00 0.163 HD +ATOM 778 CA MET A 82 -21.948 27.257 76.429 1.00 40.92 0.177 C +ATOM 779 C MET A 82 -23.390 26.778 76.399 1.00 37.18 0.241 C +ATOM 780 O MET A 82 -24.151 27.020 77.342 1.00 43.24 -0.271 OA +ATOM 781 CB MET A 82 -21.159 26.492 77.492 1.00 35.75 0.045 C +ATOM 782 CG MET A 82 -21.076 24.998 77.240 1.00 31.49 0.076 C +ATOM 783 SD MET A 82 -19.971 24.146 78.382 1.00 52.99 -0.173 SA +ATOM 784 CE MET A 82 -18.380 24.771 77.848 1.00 46.40 0.089 C +ATOM 785 N GLN A 83 -23.763 26.115 75.310 1.00 36.53 -0.346 N +ATOM 786 HN GLN A 83 -23.100 26.028 74.540 1.00 0.00 0.163 HD +ATOM 787 CA GLN A 83 -25.081 25.506 75.169 1.00 38.76 0.177 C +ATOM 788 C GLN A 83 -24.859 24.008 75.017 1.00 35.47 0.241 C +ATOM 789 O GLN A 83 -24.610 23.522 73.909 1.00 38.88 -0.271 OA +ATOM 790 CB GLN A 83 -25.835 26.093 73.985 1.00 42.05 0.044 C +ATOM 791 CG GLN A 83 -27.334 26.150 74.186 1.00 49.29 0.105 C +ATOM 792 CD GLN A 83 -28.094 25.956 72.894 1.00 56.32 0.215 C +ATOM 793 NE2 GLN A 83 -29.407 25.796 73.002 1.00 59.16 -0.370 N +ATOM 794 1HE2 GLN A 83 -29.920 25.665 72.130 1.00 0.00 0.159 HD +ATOM 795 2HE2 GLN A 83 -29.890 25.796 73.901 1.00 0.00 0.159 HD +ATOM 796 OE1 GLN A 83 -27.511 25.956 71.809 1.00 59.39 -0.274 OA +ATOM 797 N ASN A 84 -24.943 23.286 76.135 1.00 35.48 -0.346 N +ATOM 798 HN ASN A 84 -25.210 23.752 77.002 1.00 0.00 0.163 HD +ATOM 799 CA ASN A 84 -24.667 21.854 76.163 1.00 28.78 0.185 C +ATOM 800 C ASN A 84 -23.255 21.576 75.665 1.00 32.51 0.241 C +ATOM 801 O ASN A 84 -22.282 21.926 76.339 1.00 37.59 -0.271 OA +ATOM 802 CB ASN A 84 -25.704 21.085 75.339 1.00 33.36 0.137 C +ATOM 803 CG ASN A 84 -27.120 21.394 75.766 1.00 31.17 0.217 C +ATOM 804 ND2 ASN A 84 -27.944 21.838 74.824 1.00 32.50 -0.370 N +ATOM 805 1HD2 ASN A 84 -28.900 22.047 75.112 1.00 0.00 0.159 HD +ATOM 806 2HD2 ASN A 84 -27.657 21.956 73.853 1.00 0.00 0.159 HD +ATOM 807 OD1 ASN A 84 -27.467 21.251 76.939 1.00 37.19 -0.274 OA +ATOM 808 N CYS A 85 -23.115 20.964 74.490 1.00 31.33 -0.345 N +ATOM 809 HN CYS A 85 -23.942 20.757 73.930 1.00 0.00 0.163 HD +ATOM 810 CA CYS A 85 -21.798 20.585 73.993 1.00 29.75 0.186 C +ATOM 811 C CYS A 85 -21.272 21.497 72.891 1.00 27.93 0.242 C +ATOM 812 O CYS A 85 -20.211 21.212 72.327 1.00 30.14 -0.271 OA +ATOM 813 CB CYS A 85 -21.806 19.130 73.517 1.00 30.66 0.120 C +ATOM 814 SG CYS A 85 -22.241 17.929 74.804 1.00 41.25 -0.095 SA +ATOM 815 N VAL A 86 -21.956 22.597 72.589 1.00 26.22 -0.346 N +ATOM 816 HN VAL A 86 -22.843 22.780 73.059 1.00 0.00 0.163 HD +ATOM 817 CA VAL A 86 -21.462 23.546 71.599 1.00 31.73 0.180 C +ATOM 818 C VAL A 86 -21.217 24.889 72.270 1.00 35.24 0.241 C +ATOM 819 O VAL A 86 -21.880 25.253 73.248 1.00 34.26 -0.271 OA +ATOM 820 CB VAL A 86 -22.422 23.712 70.400 1.00 34.22 0.009 C +ATOM 821 CG1 VAL A 86 -22.536 22.411 69.618 1.00 32.41 0.012 C +ATOM 822 CG2 VAL A 86 -23.786 24.197 70.866 1.00 37.90 0.012 C +ATOM 823 N LEU A 87 -20.248 25.624 71.735 1.00 34.20 -0.346 N +ATOM 824 HN LEU A 87 -19.670 25.216 71.000 1.00 0.00 0.163 HD +ATOM 825 CA LEU A 87 -19.981 26.989 72.159 1.00 38.10 0.177 C +ATOM 826 C LEU A 87 -20.746 27.959 71.272 1.00 37.42 0.241 C +ATOM 827 O LEU A 87 -20.863 27.752 70.060 1.00 39.21 -0.271 OA +ATOM 828 CB LEU A 87 -18.483 27.293 72.093 1.00 39.41 0.038 C +ATOM 829 CG LEU A 87 -17.705 27.345 73.407 1.00 41.24 -0.020 C +ATOM 830 CD1 LEU A 87 -16.210 27.344 73.135 1.00 39.84 0.009 C +ATOM 831 CD2 LEU A 87 -18.101 28.566 74.221 1.00 45.07 0.009 C +ATOM 832 N LYS A 88 -21.273 29.017 71.882 1.00 35.57 -0.346 N +ATOM 833 HN LYS A 88 -21.197 29.084 72.897 1.00 0.00 0.163 HD +ATOM 834 CA LYS A 88 -21.956 30.086 71.160 1.00 35.57 0.176 C +ATOM 835 C LYS A 88 -21.167 31.370 71.373 1.00 42.07 0.241 C +ATOM 836 O LYS A 88 -21.201 31.953 72.462 1.00 39.09 -0.271 OA +ATOM 837 CB LYS A 88 -23.403 30.235 71.629 1.00 39.36 0.035 C +ATOM 838 CG LYS A 88 -24.281 29.038 71.296 1.00 41.29 0.004 C +ATOM 839 CD LYS A 88 -25.665 29.167 71.909 1.00 46.58 0.027 C +ATOM 840 CE LYS A 88 -26.601 29.951 71.005 1.00 43.72 0.229 C +ATOM 841 NZ LYS A 88 -27.998 29.944 71.521 1.00 51.46 -0.079 N +ATOM 842 HZ1 LYS A 88 -28.626 30.470 70.914 1.00 0.00 0.274 HD +ATOM 843 HZ2 LYS A 88 -28.041 30.281 72.483 1.00 0.00 0.274 HD +ATOM 844 HZ3 LYS A 88 -28.335 28.993 71.670 1.00 0.00 0.274 HD +ATOM 845 N LEU A 89 -20.451 31.801 70.337 1.00 35.18 -0.346 N +ATOM 846 HN LEU A 89 -20.509 31.289 69.457 1.00 0.00 0.163 HD +ATOM 847 CA LEU A 89 -19.587 32.974 70.406 1.00 35.95 0.177 C +ATOM 848 C LEU A 89 -20.274 34.136 69.697 1.00 39.94 0.241 C +ATOM 849 O LEU A 89 -20.422 34.124 68.471 1.00 37.92 -0.271 OA +ATOM 850 CB LEU A 89 -18.225 32.683 69.778 1.00 35.83 0.038 C +ATOM 851 CG LEU A 89 -17.443 31.484 70.316 1.00 34.70 -0.020 C +ATOM 852 CD1 LEU A 89 -16.114 31.346 69.590 1.00 35.27 0.009 C +ATOM 853 CD2 LEU A 89 -17.225 31.612 71.813 1.00 34.21 0.009 C +ATOM 854 N LYS A 90 -20.694 35.133 70.470 1.00 37.44 -0.346 N +ATOM 855 HN LYS A 90 -20.639 35.041 71.484 1.00 0.00 0.163 HD +ATOM 856 CA LYS A 90 -21.231 36.355 69.888 1.00 37.63 0.176 C +ATOM 857 C LYS A 90 -20.093 37.183 69.306 1.00 44.75 0.241 C +ATOM 858 O LYS A 90 -19.088 37.432 69.979 1.00 43.60 -0.271 OA +ATOM 859 CB LYS A 90 -21.990 37.156 70.944 1.00 45.52 0.035 C +ATOM 860 CG LYS A 90 -23.177 37.940 70.409 1.00 47.69 0.004 C +ATOM 861 CD LYS A 90 -24.005 38.518 71.547 1.00 55.70 0.027 C +ATOM 862 CE LYS A 90 -25.345 39.037 71.053 1.00 59.25 0.229 C +ATOM 863 NZ LYS A 90 -26.228 39.447 72.181 1.00 57.77 -0.079 N +ATOM 864 HZ1 LYS A 90 -27.127 39.795 71.849 1.00 0.00 0.274 HD +ATOM 865 HZ2 LYS A 90 -25.767 40.126 72.786 1.00 0.00 0.274 HD +ATOM 866 HZ3 LYS A 90 -26.348 38.690 72.854 1.00 0.00 0.274 HD +ATOM 867 N VAL A 91 -20.244 37.605 68.052 1.00 39.26 -0.346 N +ATOM 868 HN VAL A 91 -21.120 37.414 67.566 1.00 0.00 0.163 HD +ATOM 869 CA VAL A 91 -19.193 38.332 67.355 1.00 38.65 0.180 C +ATOM 870 C VAL A 91 -19.715 39.699 66.932 1.00 46.65 0.241 C +ATOM 871 O VAL A 91 -20.920 39.964 66.930 1.00 44.94 -0.271 OA +ATOM 872 CB VAL A 91 -18.655 37.554 66.137 1.00 43.56 0.009 C +ATOM 873 CG1 VAL A 91 -17.792 36.387 66.598 1.00 41.53 0.012 C +ATOM 874 CG2 VAL A 91 -19.802 37.068 65.267 1.00 38.87 0.012 C +ATOM 875 N ASP A 92 -18.775 40.571 66.563 1.00 47.50 -0.345 N +ATOM 876 HN ASP A 92 -17.807 40.257 66.487 1.00 0.00 0.163 HD +ATOM 877 CA ASP A 92 -19.097 41.962 66.265 1.00 55.99 0.186 C +ATOM 878 C ASP A 92 -19.813 42.133 64.931 1.00 55.99 0.241 C +ATOM 879 O ASP A 92 -20.446 43.172 64.713 1.00 51.50 -0.271 OA +ATOM 880 CB ASP A 92 -17.816 42.800 66.282 1.00 56.73 0.147 C +ATOM 881 CG ASP A 92 -18.082 44.282 66.104 1.00 71.09 0.175 C +ATOM 882 OD1 ASP A 92 -18.456 44.945 67.094 1.00 74.54 -0.648 OA +ATOM 883 OD2 ASP A 92 -17.917 44.784 64.971 1.00 72.25 -0.648 OA +ATOM 884 N THR A 93 -19.741 41.146 64.042 1.00 53.36 -0.344 N +ATOM 885 HN THR A 93 -19.301 40.268 64.318 1.00 0.00 0.163 HD +ATOM 886 CA THR A 93 -20.267 41.272 62.689 1.00 50.11 0.205 C +ATOM 887 C THR A 93 -21.298 40.186 62.421 1.00 48.58 0.243 C +ATOM 888 O THR A 93 -21.081 39.019 62.764 1.00 44.46 -0.271 OA +ATOM 889 CB THR A 93 -19.142 41.188 61.653 1.00 51.85 0.146 C +ATOM 890 CG2 THR A 93 -19.574 41.829 60.342 1.00 53.12 0.042 C +ATOM 891 OG1 THR A 93 -17.981 41.863 62.151 1.00 61.92 -0.393 OA +ATOM 892 HG1 THR A 93 -17.283 41.811 61.508 1.00 0.00 0.210 HD +ATOM 893 N ALA A 94 -22.416 40.574 61.812 1.00 44.58 -0.346 N +ATOM 894 HN ALA A 94 -22.598 41.570 61.689 1.00 0.00 0.163 HD +ATOM 895 CA ALA A 94 -23.384 39.608 61.318 1.00 45.34 0.172 C +ATOM 896 C ALA A 94 -22.932 39.095 59.958 1.00 41.83 0.240 C +ATOM 897 O ALA A 94 -22.536 39.880 59.092 1.00 44.83 -0.271 OA +ATOM 898 CB ALA A 94 -24.773 40.237 61.218 1.00 37.38 0.042 C +ATOM 899 N ASN A 95 -22.978 37.777 59.777 1.00 42.65 -0.346 N +ATOM 900 HN ASN A 95 -23.320 37.183 60.533 1.00 0.00 0.163 HD +ATOM 901 CA ASN A 95 -22.552 37.160 58.527 1.00 40.38 0.185 C +ATOM 902 C ASN A 95 -23.452 37.626 57.389 1.00 40.35 0.243 C +ATOM 903 O ASN A 95 -24.653 37.326 57.383 1.00 39.89 -0.271 OA +ATOM 904 CB ASN A 95 -22.572 35.634 58.650 1.00 42.27 0.137 C +ATOM 905 CG ASN A 95 -21.926 34.936 57.464 1.00 43.20 0.217 C +ATOM 906 ND2 ASN A 95 -21.754 33.625 57.578 1.00 42.09 -0.370 N +ATOM 907 1HD2 ASN A 95 -21.321 33.157 56.782 1.00 0.00 0.159 HD +ATOM 908 2HD2 ASN A 95 -22.032 33.105 58.411 1.00 0.00 0.159 HD +ATOM 909 OD1 ASN A 95 -21.591 35.563 56.459 1.00 44.92 -0.274 OA +ATOM 910 N PRO A 96 -22.914 38.362 56.412 1.00 42.52 -0.337 N +ATOM 911 CA PRO A 96 -23.755 38.820 55.295 1.00 43.84 0.179 C +ATOM 912 C PRO A 96 -24.223 37.695 54.392 1.00 43.73 0.241 C +ATOM 913 O PRO A 96 -25.225 37.868 53.687 1.00 44.92 -0.271 OA +ATOM 914 CB PRO A 96 -22.840 39.796 54.544 1.00 41.66 0.037 C +ATOM 915 CG PRO A 96 -21.459 39.322 54.857 1.00 41.64 0.022 C +ATOM 916 CD PRO A 96 -21.512 38.793 56.265 1.00 39.46 0.127 C +ATOM 917 N LYS A 97 -23.537 36.555 54.387 1.00 45.99 -0.346 N +ATOM 918 HN LYS A 97 -22.696 36.487 54.961 1.00 0.00 0.163 HD +ATOM 919 CA LYS A 97 -23.938 35.402 53.596 1.00 45.32 0.176 C +ATOM 920 C LYS A 97 -24.868 34.462 54.351 1.00 44.01 0.241 C +ATOM 921 O LYS A 97 -25.065 33.325 53.911 1.00 46.12 -0.271 OA +ATOM 922 CB LYS A 97 -22.704 34.628 53.123 1.00 43.79 0.035 C +ATOM 923 CG LYS A 97 -21.662 35.472 52.411 1.00 48.51 0.004 C +ATOM 924 CD LYS A 97 -20.651 34.588 51.697 1.00 47.89 0.027 C +ATOM 925 CE LYS A 97 -19.319 35.297 51.519 1.00 51.57 0.229 C +ATOM 926 NZ LYS A 97 -18.351 34.464 50.753 1.00 64.60 -0.079 N +ATOM 927 HZ1 LYS A 97 -17.457 34.940 50.634 1.00 0.00 0.274 HD +ATOM 928 HZ2 LYS A 97 -18.740 34.171 49.856 1.00 0.00 0.274 HD +ATOM 929 HZ3 LYS A 97 -18.230 33.546 51.181 1.00 0.00 0.274 HD +ATOM 930 N THR A 98 -25.435 34.903 55.468 1.00 42.46 -0.344 N +ATOM 931 HN THR A 98 -25.252 35.858 55.776 1.00 0.00 0.163 HD +ATOM 932 CA THR A 98 -26.312 34.054 56.263 1.00 39.45 0.205 C +ATOM 933 C THR A 98 -27.555 33.682 55.465 1.00 38.73 0.245 C +ATOM 934 O THR A 98 -28.349 34.570 55.120 1.00 41.52 -0.271 OA +ATOM 935 CB THR A 98 -26.728 34.751 57.556 1.00 43.49 0.146 C +ATOM 936 CG2 THR A 98 -27.706 33.882 58.333 1.00 38.44 0.042 C +ATOM 937 OG1 THR A 98 -25.574 34.995 58.365 1.00 42.89 -0.393 OA +ATOM 938 HG1 THR A 98 -25.833 35.429 59.170 1.00 0.00 0.210 HD +ATOM 939 N PRO A 99 -27.766 32.410 55.155 1.00 38.95 -0.337 N +ATOM 940 CA PRO A 99 -29.005 32.004 54.492 1.00 38.09 0.179 C +ATOM 941 C PRO A 99 -30.127 31.867 55.511 1.00 41.90 0.241 C +ATOM 942 O PRO A 99 -29.914 31.905 56.724 1.00 39.74 -0.271 OA +ATOM 943 CB PRO A 99 -28.640 30.650 53.883 1.00 40.27 0.037 C +ATOM 944 CG PRO A 99 -27.665 30.080 54.873 1.00 44.92 0.022 C +ATOM 945 CD PRO A 99 -26.901 31.254 55.452 1.00 39.70 0.127 C +ATOM 946 N LYS A 100 -31.343 31.718 54.996 1.00 36.74 -0.346 N +ATOM 947 HN LYS A 100 -31.501 31.879 54.001 1.00 0.00 0.163 HD +ATOM 948 CA LYS A 100 -32.447 31.325 55.856 1.00 42.54 0.176 C +ATOM 949 C LYS A 100 -32.197 29.902 56.336 1.00 42.21 0.241 C +ATOM 950 O LYS A 100 -31.913 29.008 55.533 1.00 40.24 -0.271 OA +ATOM 951 CB LYS A 100 -33.777 31.423 55.113 1.00 40.57 0.035 C +ATOM 952 CG LYS A 100 -34.989 31.181 55.998 1.00 49.85 0.004 C +ATOM 953 CD LYS A 100 -36.118 30.512 55.235 1.00 57.75 0.027 C +ATOM 954 CE LYS A 100 -37.472 30.904 55.803 1.00 58.16 0.229 C +ATOM 955 NZ LYS A 100 -38.084 29.783 56.571 1.00 62.23 -0.079 N +ATOM 956 HZ1 LYS A 100 -38.993 30.046 56.952 1.00 0.00 0.274 HD +ATOM 957 HZ2 LYS A 100 -37.457 29.443 57.300 1.00 0.00 0.274 HD +ATOM 958 HZ3 LYS A 100 -38.146 28.934 56.009 1.00 0.00 0.274 HD +ATOM 959 N TYR A 101 -32.267 29.692 57.647 1.00 37.56 -0.346 N +ATOM 960 HN TYR A 101 -32.622 30.427 58.258 1.00 0.00 0.163 HD +ATOM 961 CA TYR A 101 -31.842 28.424 58.217 1.00 37.16 0.180 C +ATOM 962 C TYR A 101 -32.766 28.016 59.353 1.00 37.23 0.241 C +ATOM 963 O TYR A 101 -33.559 28.809 59.867 1.00 36.86 -0.271 OA +ATOM 964 CB TYR A 101 -30.390 28.492 58.709 1.00 33.76 0.073 C +ATOM 965 CG TYR A 101 -30.181 29.414 59.891 1.00 39.07 -0.056 A +ATOM 966 CD1 TYR A 101 -29.935 30.768 59.704 1.00 33.22 0.010 A +ATOM 967 CD2 TYR A 101 -30.223 28.929 61.193 1.00 36.68 0.010 A +ATOM 968 CE1 TYR A 101 -29.742 31.614 60.779 1.00 38.66 0.037 A +ATOM 969 CE2 TYR A 101 -30.032 29.768 62.274 1.00 35.64 0.037 A +ATOM 970 CZ TYR A 101 -29.791 31.108 62.062 1.00 42.74 0.065 A +ATOM 971 OH TYR A 101 -29.599 31.947 63.136 1.00 44.17 -0.361 OA +ATOM 972 HH TYR A 101 -29.633 31.599 64.019 1.00 0.00 0.217 HD +ATOM 973 N LYS A 102 -32.647 26.746 59.734 1.00 34.77 -0.346 N +ATOM 974 HN LYS A 102 -32.033 26.136 59.194 1.00 0.00 0.163 HD +ATOM 975 CA LYS A 102 -33.343 26.180 60.877 1.00 35.68 0.176 C +ATOM 976 C LYS A 102 -32.405 25.213 61.582 1.00 36.28 0.241 C +ATOM 977 O LYS A 102 -31.485 24.664 60.972 1.00 34.40 -0.271 OA +ATOM 978 CB LYS A 102 -34.628 25.446 60.464 1.00 40.86 0.035 C +ATOM 979 CG LYS A 102 -35.760 26.352 60.011 1.00 49.31 0.004 C +ATOM 980 CD LYS A 102 -37.092 25.614 60.025 1.00 49.25 0.027 C +ATOM 981 CE LYS A 102 -37.465 25.108 58.640 1.00 61.49 0.229 C +ATOM 982 NZ LYS A 102 -36.684 23.899 58.253 1.00 62.18 -0.079 N +ATOM 983 HZ1 LYS A 102 -36.934 23.560 57.324 1.00 0.00 0.274 HD +ATOM 984 HZ2 LYS A 102 -36.775 23.162 58.952 1.00 0.00 0.274 HD +ATOM 985 HZ3 LYS A 102 -35.681 24.069 58.326 1.00 0.00 0.274 HD +ATOM 986 N PHE A 103 -32.639 25.016 62.876 1.00 31.56 -0.346 N +ATOM 987 HN PHE A 103 -33.357 25.579 63.332 1.00 0.00 0.163 HD +ATOM 988 CA PHE A 103 -31.916 24.031 63.672 1.00 34.73 0.180 C +ATOM 989 C PHE A 103 -32.868 22.876 63.951 1.00 31.35 0.241 C +ATOM 990 O PHE A 103 -33.804 23.015 64.745 1.00 32.98 -0.271 OA +ATOM 991 CB PHE A 103 -31.397 24.641 64.973 1.00 34.30 0.073 C +ATOM 992 CG PHE A 103 -30.156 25.473 64.804 1.00 32.28 -0.056 A +ATOM 993 CD1 PHE A 103 -29.508 25.539 63.583 1.00 30.49 0.007 A +ATOM 994 CD2 PHE A 103 -29.635 26.186 65.873 1.00 35.60 0.007 A +ATOM 995 CE1 PHE A 103 -28.366 26.303 63.428 1.00 30.40 0.001 A +ATOM 996 CE2 PHE A 103 -28.494 26.951 65.725 1.00 31.28 0.001 A +ATOM 997 CZ PHE A 103 -27.858 27.010 64.501 1.00 32.20 0.000 A +ATOM 998 N VAL A 104 -32.639 21.743 63.295 1.00 28.64 -0.346 N +ATOM 999 HN VAL A 104 -31.840 21.687 62.664 1.00 0.00 0.163 HD +ATOM 1000 CA VAL A 104 -33.501 20.580 63.455 1.00 32.71 0.180 C +ATOM 1001 C VAL A 104 -32.669 19.403 63.943 1.00 37.01 0.241 C +ATOM 1002 O VAL A 104 -31.476 19.285 63.645 1.00 37.44 -0.271 OA +ATOM 1003 CB VAL A 104 -34.243 20.218 62.148 1.00 35.46 0.009 C +ATOM 1004 CG1 VAL A 104 -34.967 21.437 61.592 1.00 38.21 0.012 C +ATOM 1005 CG2 VAL A 104 -33.279 19.645 61.119 1.00 38.51 0.012 C +ATOM 1006 N ARG A 105 -33.310 18.537 64.720 1.00 27.53 -0.346 N +ATOM 1007 HN ARG A 105 -34.258 18.760 65.022 1.00 0.00 0.163 HD +ATOM 1008 CA ARG A 105 -32.716 17.283 65.158 1.00 30.16 0.176 C +ATOM 1009 C ARG A 105 -33.377 16.153 64.381 1.00 31.64 0.241 C +ATOM 1010 O ARG A 105 -34.589 15.941 64.495 1.00 36.99 -0.271 OA +ATOM 1011 CB ARG A 105 -32.889 17.086 66.664 1.00 29.60 0.036 C +ATOM 1012 CG ARG A 105 -32.252 15.817 67.206 1.00 31.99 0.023 C +ATOM 1013 CD ARG A 105 -32.393 15.729 68.718 1.00 31.57 0.138 C +ATOM 1014 NE ARG A 105 -31.731 14.547 69.267 1.00 29.72 -0.227 N +ATOM 1015 HE ARG A 105 -32.263 13.678 69.308 1.00 0.00 0.177 HD +ATOM 1016 CZ ARG A 105 -30.480 14.532 69.716 1.00 30.68 0.665 C +ATOM 1017 NH1 ARG A 105 -29.748 15.638 69.683 1.00 28.54 -0.235 N +ATOM 1018 1HH1 ARG A 105 -28.788 15.626 70.028 1.00 0.00 0.174 HD +ATOM 1019 2HH1 ARG A 105 -30.149 16.499 69.312 1.00 0.00 0.174 HD +ATOM 1020 NH2 ARG A 105 -29.959 13.412 70.199 1.00 29.69 -0.235 N +ATOM 1021 1HH2 ARG A 105 -28.999 13.400 70.544 1.00 0.00 0.174 HD +ATOM 1022 2HH2 ARG A 105 -30.522 12.562 70.224 1.00 0.00 0.174 HD +ATOM 1023 N ILE A 106 -32.584 15.441 63.587 1.00 25.77 -0.346 N +ATOM 1024 HN ILE A 106 -31.580 15.620 63.594 1.00 0.00 0.163 HD +ATOM 1025 CA ILE A 106 -33.120 14.410 62.707 1.00 29.24 0.180 C +ATOM 1026 C ILE A 106 -33.326 13.118 63.484 1.00 33.97 0.241 C +ATOM 1027 O ILE A 106 -32.914 13.000 64.644 1.00 37.23 -0.271 OA +ATOM 1028 CB ILE A 106 -32.201 14.192 61.492 1.00 33.86 0.013 C +ATOM 1029 CG1 ILE A 106 -30.825 13.704 61.946 1.00 28.97 0.002 C +ATOM 1030 CG2 ILE A 106 -32.072 15.474 60.686 1.00 41.61 0.012 C +ATOM 1031 CD1 ILE A 106 -30.830 12.308 62.499 1.00 40.69 0.005 C +ATOM 1032 N GLN A 107 -33.961 12.151 62.849 1.00 29.20 -0.346 N +ATOM 1033 HN GLN A 107 -34.264 12.337 61.893 1.00 0.00 0.163 HD +ATOM 1034 CA GLN A 107 -34.263 10.844 63.402 1.00 31.86 0.177 C +ATOM 1035 C GLN A 107 -33.318 9.796 62.837 1.00 35.06 0.243 C +ATOM 1036 O GLN A 107 -32.727 9.986 61.770 1.00 32.68 -0.271 OA +ATOM 1037 CB GLN A 107 -35.711 10.456 63.080 1.00 34.98 0.044 C +ATOM 1038 CG GLN A 107 -36.752 11.168 63.925 1.00 33.40 0.105 C +ATOM 1039 CD GLN A 107 -36.793 10.647 65.347 1.00 40.18 0.215 C +ATOM 1040 NE2 GLN A 107 -37.030 11.542 66.299 1.00 39.77 -0.370 N +ATOM 1041 1HE2 GLN A 107 -37.058 11.191 67.256 1.00 0.00 0.159 HD +ATOM 1042 2HE2 GLN A 107 -37.178 12.531 66.100 1.00 0.00 0.159 HD +ATOM 1043 OE1 GLN A 107 -36.614 9.454 65.587 1.00 42.80 -0.274 OA +ATOM 1044 N PRO A 108 -33.136 8.678 63.540 1.00 32.40 -0.337 N +ATOM 1045 CA PRO A 108 -32.407 7.553 62.945 1.00 33.04 0.179 C +ATOM 1046 C PRO A 108 -33.084 7.093 61.663 1.00 31.54 0.241 C +ATOM 1047 O PRO A 108 -34.312 7.033 61.573 1.00 30.44 -0.271 OA +ATOM 1048 CB PRO A 108 -32.466 6.477 64.034 1.00 33.49 0.037 C +ATOM 1049 CG PRO A 108 -32.630 7.241 65.303 1.00 35.33 0.022 C +ATOM 1050 CD PRO A 108 -33.472 8.435 64.954 1.00 38.44 0.127 C +ATOM 1051 N GLY A 109 -32.267 6.778 60.660 1.00 30.37 -0.351 N +ATOM 1052 HN GLY A 109 -31.260 6.795 60.821 1.00 0.00 0.163 HD +ATOM 1053 CA GLY A 109 -32.757 6.413 59.353 1.00 31.93 0.225 C +ATOM 1054 C GLY A 109 -32.860 7.561 58.373 1.00 36.89 0.236 C +ATOM 1055 O GLY A 109 -32.925 7.320 57.161 1.00 34.94 -0.272 OA +ATOM 1056 N GLN A 110 -32.882 8.799 58.858 1.00 34.68 -0.346 N +ATOM 1057 HN GLN A 110 -32.878 8.938 59.869 1.00 0.00 0.163 HD +ATOM 1058 CA GLN A 110 -32.911 9.958 57.984 1.00 28.85 0.177 C +ATOM 1059 C GLN A 110 -31.503 10.294 57.503 1.00 33.18 0.241 C +ATOM 1060 O GLN A 110 -30.500 9.919 58.116 1.00 31.04 -0.271 OA +ATOM 1061 CB GLN A 110 -33.526 11.160 58.700 1.00 32.11 0.044 C +ATOM 1062 CG GLN A 110 -35.021 11.034 58.939 1.00 34.62 0.105 C +ATOM 1063 CD GLN A 110 -35.781 10.671 57.679 1.00 48.98 0.215 C +ATOM 1064 NE2 GLN A 110 -35.857 11.610 56.743 1.00 47.85 -0.370 N +ATOM 1065 1HE2 GLN A 110 -36.368 11.366 55.895 1.00 0.00 0.159 HD +ATOM 1066 2HE2 GLN A 110 -35.433 12.531 56.852 1.00 0.00 0.159 HD +ATOM 1067 OE1 GLN A 110 -36.293 9.559 57.548 1.00 50.45 -0.274 OA +ATOM 1068 N THR A 111 -31.438 11.013 56.388 1.00 30.03 -0.344 N +ATOM 1069 HN THR A 111 -32.305 11.346 55.966 1.00 0.00 0.163 HD +ATOM 1070 CA THR A 111 -30.174 11.341 55.749 1.00 31.68 0.205 C +ATOM 1071 C THR A 111 -29.918 12.841 55.794 1.00 26.77 0.243 C +ATOM 1072 O THR A 111 -30.797 13.645 56.118 1.00 28.89 -0.271 OA +ATOM 1073 CB THR A 111 -30.151 10.848 54.298 1.00 33.24 0.146 C +ATOM 1074 CG2 THR A 111 -30.191 9.330 54.253 1.00 30.08 0.042 C +ATOM 1075 OG1 THR A 111 -31.279 11.377 53.591 1.00 31.13 -0.393 OA +ATOM 1076 HG1 THR A 111 -31.265 11.071 52.692 1.00 0.00 0.210 HD +ATOM 1077 N PHE A 112 -28.683 13.202 55.458 1.00 25.75 -0.346 N +ATOM 1078 HN PHE A 112 -28.008 12.471 55.233 1.00 0.00 0.163 HD +ATOM 1079 CA PHE A 112 -28.249 14.590 55.396 1.00 24.19 0.180 C +ATOM 1080 C PHE A 112 -26.898 14.635 54.701 1.00 25.60 0.241 C +ATOM 1081 O PHE A 112 -26.188 13.628 54.618 1.00 29.54 -0.271 OA +ATOM 1082 CB PHE A 112 -28.162 15.227 56.788 1.00 25.66 0.073 C +ATOM 1083 CG PHE A 112 -27.238 14.509 57.732 1.00 31.15 -0.056 A +ATOM 1084 CD1 PHE A 112 -27.672 13.402 58.442 1.00 33.13 0.007 A +ATOM 1085 CD2 PHE A 112 -25.937 14.949 57.918 1.00 28.12 0.007 A +ATOM 1086 CE1 PHE A 112 -26.826 12.742 59.313 1.00 35.25 0.001 A +ATOM 1087 CE2 PHE A 112 -25.087 14.293 58.788 1.00 33.87 0.001 A +ATOM 1088 CZ PHE A 112 -25.532 13.188 59.486 1.00 32.49 0.000 A +ATOM 1089 N SER A 113 -26.554 15.817 54.203 1.00 27.87 -0.344 N +ATOM 1090 HN SER A 113 -27.205 16.596 54.298 1.00 0.00 0.163 HD +ATOM 1091 CA SER A 113 -25.286 16.046 53.527 1.00 26.39 0.200 C +ATOM 1092 C SER A 113 -24.273 16.620 54.508 1.00 31.32 0.243 C +ATOM 1093 O SER A 113 -24.619 17.427 55.374 1.00 23.80 -0.271 OA +ATOM 1094 CB SER A 113 -25.460 16.995 52.340 1.00 29.74 0.199 C +ATOM 1095 OG SER A 113 -26.449 16.512 51.449 1.00 31.08 -0.398 OA +ATOM 1096 HG SER A 113 -26.557 17.101 50.712 1.00 0.00 0.209 HD +ATOM 1097 N VAL A 114 -23.020 16.198 54.367 1.00 29.58 -0.346 N +ATOM 1098 HN VAL A 114 -22.807 15.554 53.605 1.00 0.00 0.163 HD +ATOM 1099 CA VAL A 114 -21.937 16.611 55.249 1.00 29.24 0.180 C +ATOM 1100 C VAL A 114 -20.945 17.436 54.444 1.00 29.20 0.241 C +ATOM 1101 O VAL A 114 -20.467 16.992 53.395 1.00 29.25 -0.271 OA +ATOM 1102 CB VAL A 114 -21.241 15.399 55.891 1.00 26.68 0.009 C +ATOM 1103 CG1 VAL A 114 -19.953 15.834 56.583 1.00 30.26 0.012 C +ATOM 1104 CG2 VAL A 114 -22.173 14.711 56.873 1.00 26.58 0.012 C +ATOM 1105 N LEU A 115 -20.638 18.631 54.934 1.00 26.73 -0.346 N +ATOM 1106 HN LEU A 115 -21.149 18.972 55.749 1.00 0.00 0.163 HD +ATOM 1107 CA LEU A 115 -19.599 19.477 54.354 1.00 28.06 0.177 C +ATOM 1108 C LEU A 115 -18.365 19.348 55.243 1.00 31.91 0.241 C +ATOM 1109 O LEU A 115 -18.268 19.997 56.286 1.00 33.35 -0.271 OA +ATOM 1110 CB LEU A 115 -20.062 20.926 54.246 1.00 31.46 0.038 C +ATOM 1111 CG LEU A 115 -18.982 21.877 53.731 1.00 34.58 -0.020 C +ATOM 1112 CD1 LEU A 115 -18.587 21.434 52.340 1.00 38.33 0.009 C +ATOM 1113 CD2 LEU A 115 -19.451 23.325 53.720 1.00 37.35 0.009 C +ATOM 1114 N ALA A 116 -17.429 18.494 54.841 1.00 28.72 -0.346 N +ATOM 1115 HN ALA A 116 -17.566 17.965 53.980 1.00 0.00 0.163 HD +ATOM 1116 CA ALA A 116 -16.209 18.305 55.616 1.00 36.61 0.172 C +ATOM 1117 C ALA A 116 -15.293 19.509 55.429 1.00 36.10 0.240 C +ATOM 1118 O ALA A 116 -14.879 19.816 54.306 1.00 36.85 -0.271 OA +ATOM 1119 CB ALA A 116 -15.506 17.018 55.194 1.00 35.24 0.042 C +ATOM 1120 N CYS A 117 -14.976 20.189 56.527 1.00 31.42 -0.345 N +ATOM 1121 HN CYS A 117 -15.331 19.862 57.426 1.00 0.00 0.163 HD +ATOM 1122 CA CYS A 117 -14.143 21.380 56.496 1.00 35.33 0.186 C +ATOM 1123 C CYS A 117 -12.897 21.176 57.345 1.00 37.63 0.242 C +ATOM 1124 O CYS A 117 -12.895 20.398 58.304 1.00 33.01 -0.271 OA +ATOM 1125 CB CYS A 117 -14.908 22.610 56.999 1.00 36.22 0.120 C +ATOM 1126 SG CYS A 117 -16.563 22.801 56.305 1.00 50.70 -0.095 SA +ATOM 1127 N TYR A 118 -11.833 21.886 56.978 1.00 41.48 -0.346 N +ATOM 1128 HN TYR A 118 -11.899 22.471 56.145 1.00 0.00 0.163 HD +ATOM 1129 CA TYR A 118 -10.576 21.862 57.717 1.00 38.25 0.180 C +ATOM 1130 C TYR A 118 -10.033 23.280 57.770 1.00 41.43 0.241 C +ATOM 1131 O TYR A 118 -9.813 23.898 56.723 1.00 40.83 -0.271 OA +ATOM 1132 CB TYR A 118 -9.566 20.912 57.064 1.00 32.92 0.073 C +ATOM 1133 CG TYR A 118 -9.998 19.462 57.089 1.00 37.18 -0.056 A +ATOM 1134 CD1 TYR A 118 -10.765 18.928 56.060 1.00 37.78 0.010 A +ATOM 1135 CD2 TYR A 118 -9.644 18.629 58.142 1.00 35.64 0.010 A +ATOM 1136 CE1 TYR A 118 -11.166 17.606 56.080 1.00 35.34 0.037 A +ATOM 1137 CE2 TYR A 118 -10.039 17.304 58.170 1.00 37.65 0.037 A +ATOM 1138 CZ TYR A 118 -10.800 16.798 57.136 1.00 37.82 0.065 A +ATOM 1139 OH TYR A 118 -11.196 15.481 57.160 1.00 39.89 -0.361 OA +ATOM 1140 HH TYR A 118 -10.944 14.924 57.887 1.00 0.00 0.217 HD +ATOM 1141 N ASN A 119 -9.826 23.791 58.986 1.00 44.86 -0.346 N +ATOM 1142 HN ASN A 119 -10.007 23.203 59.800 1.00 0.00 0.163 HD +ATOM 1143 CA ASN A 119 -9.350 25.159 59.202 1.00 42.76 0.185 C +ATOM 1144 C ASN A 119 -10.291 26.181 58.567 1.00 41.56 0.241 C +ATOM 1145 O ASN A 119 -9.857 27.147 57.936 1.00 39.63 -0.271 OA +ATOM 1146 CB ASN A 119 -7.920 25.337 58.687 1.00 49.38 0.137 C +ATOM 1147 CG ASN A 119 -6.915 24.506 59.460 1.00 51.44 0.217 C +ATOM 1148 ND2 ASN A 119 -6.392 25.069 60.544 1.00 48.44 -0.370 N +ATOM 1149 1HD2 ASN A 119 -5.716 24.510 61.064 1.00 0.00 0.159 HD +ATOM 1150 2HD2 ASN A 119 -6.642 26.009 60.851 1.00 0.00 0.159 HD +ATOM 1151 OD1 ASN A 119 -6.614 23.372 59.090 1.00 56.00 -0.274 OA +ATOM 1152 N GLY A 120 -11.594 25.964 58.736 1.00 39.01 -0.351 N +ATOM 1153 HN GLY A 120 -11.894 25.144 59.264 1.00 0.00 0.163 HD +ATOM 1154 CA GLY A 120 -12.598 26.855 58.194 1.00 36.10 0.225 C +ATOM 1155 C GLY A 120 -12.758 26.823 56.691 1.00 42.88 0.236 C +ATOM 1156 O GLY A 120 -13.523 27.632 56.153 1.00 41.11 -0.272 OA +ATOM 1157 N SER A 121 -12.073 25.920 55.994 1.00 37.25 -0.344 N +ATOM 1158 HN SER A 121 -11.483 25.256 56.496 1.00 0.00 0.163 HD +ATOM 1159 CA SER A 121 -12.134 25.844 54.539 1.00 41.19 0.200 C +ATOM 1160 C SER A 121 -12.780 24.531 54.120 1.00 42.94 0.245 C +ATOM 1161 O SER A 121 -12.235 23.454 54.418 1.00 38.68 -0.271 OA +ATOM 1162 CB SER A 121 -10.737 25.972 53.929 1.00 39.49 0.199 C +ATOM 1163 OG SER A 121 -10.804 26.471 52.605 1.00 58.46 -0.398 OA +ATOM 1164 HG SER A 121 -9.936 26.550 52.226 1.00 0.00 0.209 HD +ATOM 1165 N PRO A 122 -13.928 24.561 53.445 1.00 45.78 -0.337 N +ATOM 1166 CA PRO A 122 -14.554 23.310 52.997 1.00 41.91 0.179 C +ATOM 1167 C PRO A 122 -13.688 22.585 51.977 1.00 41.77 0.241 C +ATOM 1168 O PRO A 122 -13.072 23.202 51.104 1.00 44.19 -0.271 OA +ATOM 1169 CB PRO A 122 -15.877 23.779 52.379 1.00 45.61 0.037 C +ATOM 1170 CG PRO A 122 -16.126 25.132 52.974 1.00 48.15 0.022 C +ATOM 1171 CD PRO A 122 -14.771 25.736 53.169 1.00 44.74 0.127 C +ATOM 1172 N SER A 123 -13.646 21.256 52.093 1.00 40.84 -0.344 N +ATOM 1173 HN SER A 123 -14.188 20.807 52.832 1.00 0.00 0.163 HD +ATOM 1174 CA SER A 123 -12.852 20.428 51.199 1.00 40.73 0.200 C +ATOM 1175 C SER A 123 -13.640 19.332 50.498 1.00 39.49 0.242 C +ATOM 1176 O SER A 123 -13.140 18.779 49.512 1.00 37.35 -0.271 OA +ATOM 1177 CB SER A 123 -11.685 19.777 51.960 1.00 42.66 0.199 C +ATOM 1178 OG SER A 123 -12.107 18.608 52.639 1.00 40.82 -0.398 OA +ATOM 1179 HG SER A 123 -11.386 18.206 53.109 1.00 0.00 0.209 HD +ATOM 1180 N GLY A 124 -14.838 19.001 50.965 1.00 34.94 -0.350 N +ATOM 1181 HN GLY A 124 -15.212 19.486 51.781 1.00 0.00 0.163 HD +ATOM 1182 CA GLY A 124 -15.622 17.959 50.331 1.00 36.97 0.225 C +ATOM 1183 C GLY A 124 -17.024 17.915 50.891 1.00 35.80 0.236 C +ATOM 1184 O GLY A 124 -17.290 18.400 51.996 1.00 34.45 -0.272 OA +ATOM 1185 N VAL A 125 -17.922 17.321 50.108 1.00 28.17 -0.346 N +ATOM 1186 HN VAL A 125 -17.620 16.952 49.206 1.00 0.00 0.163 HD +ATOM 1187 CA VAL A 125 -19.322 17.178 50.492 1.00 28.26 0.180 C +ATOM 1188 C VAL A 125 -19.792 15.780 50.111 1.00 31.29 0.241 C +ATOM 1189 O VAL A 125 -19.449 15.266 49.041 1.00 30.39 -0.271 OA +ATOM 1190 CB VAL A 125 -20.205 18.269 49.846 1.00 34.00 0.009 C +ATOM 1191 CG1 VAL A 125 -20.116 18.216 48.329 1.00 34.39 0.012 C +ATOM 1192 CG2 VAL A 125 -21.649 18.144 50.315 1.00 32.78 0.012 C +ATOM 1193 N TYR A 126 -20.561 15.155 51.001 1.00 29.87 -0.346 N +ATOM 1194 HN TYR A 126 -20.793 15.626 51.875 1.00 0.00 0.163 HD +ATOM 1195 CA TYR A 126 -21.078 13.816 50.757 1.00 27.60 0.180 C +ATOM 1196 C TYR A 126 -22.326 13.610 51.601 1.00 30.08 0.241 C +ATOM 1197 O TYR A 126 -22.582 14.348 52.557 1.00 29.92 -0.271 OA +ATOM 1198 CB TYR A 126 -20.029 12.739 51.064 1.00 29.36 0.073 C +ATOM 1199 CG TYR A 126 -19.484 12.790 52.475 1.00 31.82 -0.056 A +ATOM 1200 CD1 TYR A 126 -18.368 13.557 52.782 1.00 36.26 0.010 A +ATOM 1201 CD2 TYR A 126 -20.084 12.070 53.500 1.00 33.37 0.010 A +ATOM 1202 CE1 TYR A 126 -17.866 13.607 54.069 1.00 33.14 0.037 A +ATOM 1203 CE2 TYR A 126 -19.589 12.115 54.789 1.00 33.73 0.037 A +ATOM 1204 CZ TYR A 126 -18.481 12.884 55.068 1.00 32.44 0.065 A +ATOM 1205 OH TYR A 126 -17.986 12.931 56.351 1.00 34.56 -0.361 OA +ATOM 1206 HH TYR A 126 -18.410 12.433 57.040 1.00 0.00 0.217 HD +ATOM 1207 N GLN A 127 -23.097 12.590 51.236 1.00 26.24 -0.346 N +ATOM 1208 HN GLN A 127 -22.807 12.011 50.448 1.00 0.00 0.163 HD +ATOM 1209 CA GLN A 127 -24.341 12.272 51.923 1.00 29.01 0.177 C +ATOM 1210 C GLN A 127 -24.090 11.281 53.053 1.00 36.22 0.241 C +ATOM 1211 O GLN A 127 -23.270 10.367 52.926 1.00 34.05 -0.271 OA +ATOM 1212 CB GLN A 127 -25.365 11.701 50.940 1.00 35.77 0.044 C +ATOM 1213 CG GLN A 127 -26.783 11.617 51.485 1.00 35.54 0.105 C +ATOM 1214 CD GLN A 127 -27.555 12.914 51.326 1.00 36.56 0.215 C +ATOM 1215 NE2 GLN A 127 -28.879 12.813 51.296 1.00 39.16 -0.370 N +ATOM 1216 1HE2 GLN A 127 -29.398 13.685 51.189 1.00 0.00 0.159 HD +ATOM 1217 2HE2 GLN A 127 -29.363 11.919 51.375 1.00 0.00 0.159 HD +ATOM 1218 OE1 GLN A 127 -26.970 13.994 51.231 1.00 39.37 -0.274 OA +ATOM 1219 N CYS A 128 -24.805 11.471 54.160 1.00 34.64 -0.345 N +ATOM 1220 HN CYS A 128 -25.463 12.250 54.190 1.00 0.00 0.163 HD +ATOM 1221 CA CYS A 128 -24.686 10.612 55.328 1.00 36.77 0.186 C +ATOM 1222 C CYS A 128 -26.075 10.273 55.846 1.00 37.19 0.241 C +ATOM 1223 O CYS A 128 -27.039 11.008 55.624 1.00 34.84 -0.271 OA +ATOM 1224 CB CYS A 128 -23.862 11.274 56.441 1.00 38.70 0.120 C +ATOM 1225 SG CYS A 128 -22.145 10.732 56.529 1.00 50.17 -0.095 SA +ATOM 1226 N ALA A 129 -26.166 9.147 56.549 1.00 36.72 -0.346 N +ATOM 1227 HN ALA A 129 -25.334 8.567 56.656 1.00 0.00 0.163 HD +ATOM 1228 CA ALA A 129 -27.407 8.712 57.171 1.00 34.50 0.172 C +ATOM 1229 C ALA A 129 -27.171 8.455 58.650 1.00 38.35 0.240 C +ATOM 1230 O ALA A 129 -26.155 7.867 59.034 1.00 35.86 -0.271 OA +ATOM 1231 CB ALA A 129 -27.959 7.447 56.504 1.00 35.38 0.042 C +ATOM 1232 N MET A 130 -28.110 8.903 59.478 1.00 31.95 -0.346 N +ATOM 1233 HN MET A 130 -28.893 9.441 59.106 1.00 0.00 0.163 HD +ATOM 1234 CA MET A 130 -28.039 8.638 60.908 1.00 34.80 0.177 C +ATOM 1235 C MET A 130 -28.416 7.185 61.173 1.00 34.79 0.241 C +ATOM 1236 O MET A 130 -29.550 6.772 60.908 1.00 32.27 -0.271 OA +ATOM 1237 CB MET A 130 -28.963 9.587 61.667 1.00 34.04 0.045 C +ATOM 1238 CG MET A 130 -28.954 9.416 63.181 1.00 37.20 0.076 C +ATOM 1239 SD MET A 130 -27.369 9.810 63.951 1.00 39.63 -0.173 SA +ATOM 1240 CE MET A 130 -27.092 11.482 63.378 1.00 29.75 0.089 C +ATOM 1241 N ARG A 131 -27.462 6.409 61.682 1.00 31.26 -0.346 N +ATOM 1242 HN ARG A 131 -26.544 6.807 61.880 1.00 0.00 0.163 HD +ATOM 1243 CA ARG A 131 -27.706 5.007 61.960 1.00 27.15 0.176 C +ATOM 1244 C ARG A 131 -28.658 4.859 63.146 1.00 31.08 0.243 C +ATOM 1245 O ARG A 131 -28.791 5.770 63.966 1.00 31.54 -0.271 OA +ATOM 1246 CB ARG A 131 -26.390 4.285 62.245 1.00 29.07 0.036 C +ATOM 1247 CG ARG A 131 -25.361 4.385 61.129 1.00 34.50 0.023 C +ATOM 1248 CD ARG A 131 -25.937 3.938 59.800 1.00 31.99 0.138 C +ATOM 1249 NE ARG A 131 -26.509 2.598 59.876 1.00 34.57 -0.227 N +ATOM 1250 HE ARG A 131 -26.458 2.106 60.768 1.00 0.00 0.177 HD +ATOM 1251 CZ ARG A 131 -27.092 1.978 58.856 1.00 40.72 0.665 C +ATOM 1252 NH1 ARG A 131 -27.182 2.579 57.677 1.00 35.13 -0.235 N +ATOM 1253 1HH1 ARG A 131 -27.630 2.103 56.894 1.00 0.00 0.174 HD +ATOM 1254 2HH1 ARG A 131 -26.801 3.518 57.556 1.00 0.00 0.174 HD +ATOM 1255 NH2 ARG A 131 -27.587 0.758 59.013 1.00 34.74 -0.235 N +ATOM 1256 1HH2 ARG A 131 -28.035 0.282 58.230 1.00 0.00 0.174 HD +ATOM 1257 2HH2 ARG A 131 -27.518 0.296 59.920 1.00 0.00 0.174 HD +ATOM 1258 N PRO A 132 -29.344 3.717 63.248 1.00 31.94 -0.337 N +ATOM 1259 CA PRO A 132 -30.232 3.495 64.402 1.00 32.67 0.179 C +ATOM 1260 C PRO A 132 -29.533 3.587 65.749 1.00 30.17 0.241 C +ATOM 1261 O PRO A 132 -30.204 3.849 66.755 1.00 34.15 -0.271 OA +ATOM 1262 CB PRO A 132 -30.783 2.086 64.151 1.00 35.36 0.037 C +ATOM 1263 CG PRO A 132 -30.727 1.929 62.669 1.00 30.83 0.022 C +ATOM 1264 CD PRO A 132 -29.499 2.670 62.222 1.00 31.83 0.127 C +ATOM 1265 N ASN A 133 -28.217 3.378 65.809 1.00 28.62 -0.346 N +ATOM 1266 HN ASN A 133 -27.723 3.089 64.965 1.00 0.00 0.163 HD +ATOM 1267 CA ASN A 133 -27.464 3.550 67.044 1.00 32.37 0.185 C +ATOM 1268 C ASN A 133 -26.894 4.959 67.189 1.00 31.42 0.241 C +ATOM 1269 O ASN A 133 -25.970 5.166 67.985 1.00 32.54 -0.271 OA +ATOM 1270 CB ASN A 133 -26.348 2.504 67.139 1.00 31.04 0.137 C +ATOM 1271 CG ASN A 133 -25.351 2.592 65.996 1.00 34.72 0.217 C +ATOM 1272 ND2 ASN A 133 -24.429 1.638 65.948 1.00 34.83 -0.370 N +ATOM 1273 1HD2 ASN A 133 -23.760 1.697 65.181 1.00 0.00 0.159 HD +ATOM 1274 2HD2 ASN A 133 -24.383 0.884 66.634 1.00 0.00 0.159 HD +ATOM 1275 OD1 ASN A 133 -25.406 3.501 65.169 1.00 33.90 -0.274 OA +ATOM 1276 N PHE A 134 -27.417 5.918 66.422 1.00 26.93 -0.346 N +ATOM 1277 HN PHE A 134 -28.102 5.648 65.716 1.00 0.00 0.163 HD +ATOM 1278 CA PHE A 134 -27.065 7.335 66.535 1.00 30.85 0.180 C +ATOM 1279 C PHE A 134 -25.603 7.605 66.190 1.00 30.75 0.241 C +ATOM 1280 O PHE A 134 -24.990 8.534 66.723 1.00 37.79 -0.271 OA +ATOM 1281 CB PHE A 134 -27.390 7.880 67.927 1.00 30.04 0.073 C +ATOM 1282 CG PHE A 134 -28.851 7.841 68.270 1.00 28.50 -0.056 A +ATOM 1283 CD1 PHE A 134 -29.719 8.797 67.770 1.00 32.28 0.007 A +ATOM 1284 CD2 PHE A 134 -29.356 6.849 69.094 1.00 31.25 0.007 A +ATOM 1285 CE1 PHE A 134 -31.064 8.766 68.084 1.00 30.50 0.001 A +ATOM 1286 CE2 PHE A 134 -30.701 6.812 69.413 1.00 34.66 0.001 A +ATOM 1287 CZ PHE A 134 -31.556 7.772 68.906 1.00 39.29 0.000 A +ATOM 1288 N THR A 135 -25.031 6.806 65.298 1.00 29.58 -0.344 N +ATOM 1289 HN THR A 135 -25.526 5.963 65.008 1.00 0.00 0.163 HD +ATOM 1290 CA THR A 135 -23.727 7.085 64.718 1.00 28.22 0.205 C +ATOM 1291 C THR A 135 -23.886 7.364 63.230 1.00 32.13 0.243 C +ATOM 1292 O THR A 135 -24.944 7.136 62.639 1.00 31.70 -0.271 OA +ATOM 1293 CB THR A 135 -22.756 5.918 64.938 1.00 32.25 0.146 C +ATOM 1294 CG2 THR A 135 -22.584 5.641 66.420 1.00 30.07 0.042 C +ATOM 1295 OG1 THR A 135 -23.259 4.744 64.289 1.00 31.33 -0.393 OA +ATOM 1296 HG1 THR A 135 -22.658 4.021 64.425 1.00 0.00 0.210 HD +ATOM 1297 N ILE A 136 -22.820 7.880 62.625 1.00 28.12 -0.346 N +ATOM 1298 HN ILE A 136 -22.012 8.145 63.188 1.00 0.00 0.163 HD +ATOM 1299 CA ILE A 136 -22.771 8.078 61.184 1.00 32.40 0.180 C +ATOM 1300 C ILE A 136 -21.455 7.521 60.664 1.00 33.86 0.241 C +ATOM 1301 O ILE A 136 -20.433 7.535 61.358 1.00 29.44 -0.271 OA +ATOM 1302 CB ILE A 136 -22.935 9.563 60.777 1.00 30.33 0.013 C +ATOM 1303 CG1 ILE A 136 -21.760 10.402 61.281 1.00 31.67 0.002 C +ATOM 1304 CG2 ILE A 136 -24.257 10.122 61.286 1.00 31.37 0.012 C +ATOM 1305 CD1 ILE A 136 -21.685 11.774 60.648 1.00 32.53 0.005 C +ATOM 1306 N LYS A 137 -21.491 7.011 59.436 1.00 33.03 -0.346 N +ATOM 1307 HN LYS A 137 -22.384 6.986 58.943 1.00 0.00 0.163 HD +ATOM 1308 CA LYS A 137 -20.306 6.485 58.764 1.00 34.40 0.176 C +ATOM 1309 C LYS A 137 -19.824 7.561 57.797 1.00 36.09 0.240 C +ATOM 1310 O LYS A 137 -20.184 7.575 56.620 1.00 37.73 -0.271 OA +ATOM 1311 CB LYS A 137 -20.615 5.173 58.052 1.00 39.92 0.035 C +ATOM 1312 CG LYS A 137 -20.622 3.960 58.968 1.00 42.67 0.004 C +ATOM 1313 CD LYS A 137 -21.819 3.065 58.694 1.00 48.77 0.027 C +ATOM 1314 CE LYS A 137 -21.664 1.713 59.370 1.00 47.32 0.229 C +ATOM 1315 NZ LYS A 137 -22.790 0.796 59.040 1.00 54.99 -0.079 N +ATOM 1316 HZ1 LYS A 137 -22.686 -0.112 59.494 1.00 0.00 0.274 HD +ATOM 1317 HZ2 LYS A 137 -22.903 0.696 58.031 1.00 0.00 0.274 HD +ATOM 1318 HZ3 LYS A 137 -23.691 1.220 59.261 1.00 0.00 0.274 HD +ATOM 1319 N GLY A 138 -19.006 8.480 58.310 1.00 38.65 -0.351 N +ATOM 1320 HN GLY A 138 -18.735 8.400 59.290 1.00 0.00 0.163 HD +ATOM 1321 CA GLY A 138 -18.490 9.579 57.540 1.00 31.62 0.225 C +ATOM 1322 C GLY A 138 -17.015 9.433 57.225 1.00 32.08 0.236 C +ATOM 1323 O GLY A 138 -16.431 8.347 57.314 1.00 36.03 -0.272 OA +ATOM 1324 N SER A 139 -16.406 10.554 56.841 1.00 30.94 -0.344 N +ATOM 1325 HN SER A 139 -16.960 11.406 56.749 1.00 0.00 0.163 HD +ATOM 1326 CA SER A 139 -14.974 10.612 56.546 1.00 34.67 0.200 C +ATOM 1327 C SER A 139 -14.441 11.890 57.186 1.00 35.77 0.243 C +ATOM 1328 O SER A 139 -14.612 12.983 56.638 1.00 34.43 -0.271 OA +ATOM 1329 CB SER A 139 -14.714 10.584 55.045 1.00 32.16 0.199 C +ATOM 1330 OG SER A 139 -13.436 11.114 54.738 1.00 38.59 -0.398 OA +ATOM 1331 HG SER A 139 -13.274 11.097 53.802 1.00 0.00 0.209 HD +ATOM 1332 N PHE A 140 -13.801 11.748 58.344 1.00 35.40 -0.346 N +ATOM 1333 HN PHE A 140 -13.627 10.806 58.694 1.00 0.00 0.163 HD +ATOM 1334 CA PHE A 140 -13.339 12.882 59.131 1.00 32.87 0.180 C +ATOM 1335 C PHE A 140 -11.914 12.636 59.601 1.00 35.47 0.241 C +ATOM 1336 O PHE A 140 -11.601 11.554 60.109 1.00 36.85 -0.271 OA +ATOM 1337 CB PHE A 140 -14.252 13.122 60.337 1.00 30.41 0.073 C +ATOM 1338 CG PHE A 140 -15.641 13.561 59.972 1.00 31.56 -0.056 A +ATOM 1339 CD1 PHE A 140 -15.874 14.835 59.480 1.00 31.97 0.007 A +ATOM 1340 CD2 PHE A 140 -16.716 12.702 60.129 1.00 29.36 0.007 A +ATOM 1341 CE1 PHE A 140 -17.153 15.243 59.148 1.00 27.22 0.001 A +ATOM 1342 CE2 PHE A 140 -17.997 13.103 59.798 1.00 31.61 0.001 A +ATOM 1343 CZ PHE A 140 -18.215 14.376 59.308 1.00 31.05 0.000 A +ATOM 1344 N LEU A 141 -11.059 13.638 59.435 1.00 34.91 -0.346 N +ATOM 1345 HN LEU A 141 -11.385 14.474 58.950 1.00 0.00 0.163 HD +ATOM 1346 CA LEU A 141 -9.684 13.609 59.906 1.00 39.01 0.177 C +ATOM 1347 C LEU A 141 -9.519 14.591 61.062 1.00 40.38 0.241 C +ATOM 1348 O LEU A 141 -10.482 15.206 61.530 1.00 36.02 -0.271 OA +ATOM 1349 CB LEU A 141 -8.716 13.934 58.766 1.00 41.14 0.038 C +ATOM 1350 CG LEU A 141 -8.832 13.083 57.500 1.00 46.39 -0.020 C +ATOM 1351 CD1 LEU A 141 -7.882 13.589 56.425 1.00 48.33 0.009 C +ATOM 1352 CD2 LEU A 141 -8.563 11.619 57.811 1.00 44.19 0.009 C +ATOM 1353 N ASN A 142 -8.278 14.733 61.524 1.00 43.31 -0.346 N +ATOM 1354 HN ASN A 142 -7.530 14.150 61.149 1.00 0.00 0.163 HD +ATOM 1355 CA ASN A 142 -7.978 15.712 62.559 1.00 43.18 0.185 C +ATOM 1356 C ASN A 142 -8.280 17.118 62.054 1.00 38.14 0.241 C +ATOM 1357 O ASN A 142 -7.951 17.473 60.919 1.00 41.06 -0.271 OA +ATOM 1358 CB ASN A 142 -6.512 15.609 62.983 1.00 38.76 0.137 C +ATOM 1359 CG ASN A 142 -6.236 14.393 63.847 1.00 50.71 0.217 C +ATOM 1360 ND2 ASN A 142 -5.048 14.345 64.438 1.00 55.08 -0.370 N +ATOM 1361 1HD2 ASN A 142 -4.862 13.527 65.019 1.00 0.00 0.159 HD +ATOM 1362 2HD2 ASN A 142 -4.348 15.079 64.325 1.00 0.00 0.159 HD +ATOM 1363 OD1 ASN A 142 -7.080 13.508 63.983 1.00 51.97 -0.274 OA +ATOM 1364 N GLY A 143 -8.918 17.918 62.905 1.00 39.21 -0.351 N +ATOM 1365 HN GLY A 143 -9.149 17.569 63.835 1.00 0.00 0.163 HD +ATOM 1366 CA GLY A 143 -9.293 19.269 62.548 1.00 38.72 0.225 C +ATOM 1367 C GLY A 143 -10.611 19.402 61.819 1.00 37.47 0.236 C +ATOM 1368 O GLY A 143 -10.969 20.518 61.421 1.00 38.50 -0.272 OA +ATOM 1369 N SER A 144 -11.343 18.306 61.628 1.00 35.11 -0.344 N +ATOM 1370 HN SER A 144 -10.992 17.412 61.971 1.00 0.00 0.163 HD +ATOM 1371 CA SER A 144 -12.628 18.343 60.945 1.00 32.51 0.200 C +ATOM 1372 C SER A 144 -13.788 18.683 61.871 1.00 31.55 0.243 C +ATOM 1373 O SER A 144 -14.921 18.811 61.394 1.00 30.39 -0.271 OA +ATOM 1374 CB SER A 144 -12.901 16.998 60.267 1.00 30.85 0.199 C +ATOM 1375 OG SER A 144 -13.231 16.013 61.229 1.00 30.21 -0.398 OA +ATOM 1376 HG SER A 144 -13.400 15.178 60.808 1.00 0.00 0.209 HD +ATOM 1377 N CYS A 145 -13.539 18.826 63.171 1.00 31.83 -0.345 N +ATOM 1378 HN CYS A 145 -12.589 18.699 63.519 1.00 0.00 0.163 HD +ATOM 1379 CA CYS A 145 -14.607 19.162 64.101 1.00 29.71 0.186 C +ATOM 1380 C CYS A 145 -15.167 20.542 63.788 1.00 30.11 0.241 C +ATOM 1381 O CYS A 145 -14.451 21.446 63.350 1.00 29.28 -0.271 OA +ATOM 1382 CB CYS A 145 -14.100 19.110 65.541 1.00 31.75 0.120 C +ATOM 1383 SG CYS A 145 -14.043 17.445 66.228 1.00 39.68 -0.095 SA +ATOM 1384 N GLY A 146 -16.467 20.699 64.023 1.00 24.04 -0.351 N +ATOM 1385 HN GLY A 146 -16.967 19.981 64.547 1.00 0.00 0.163 HD +ATOM 1386 CA GLY A 146 -17.189 21.858 63.556 1.00 27.34 0.225 C +ATOM 1387 C GLY A 146 -17.833 21.683 62.200 1.00 29.22 0.236 C +ATOM 1388 O GLY A 146 -18.678 22.506 61.824 1.00 31.51 -0.272 OA +ATOM 1389 N SER A 147 -17.454 20.646 61.454 1.00 31.09 -0.344 N +ATOM 1390 HN SER A 147 -16.671 20.067 61.759 1.00 0.00 0.163 HD +ATOM 1391 CA SER A 147 -18.140 20.326 60.210 1.00 29.06 0.200 C +ATOM 1392 C SER A 147 -19.613 20.069 60.492 1.00 28.41 0.243 C +ATOM 1393 O SER A 147 -19.968 19.419 61.478 1.00 29.87 -0.271 OA +ATOM 1394 CB SER A 147 -17.507 19.098 59.554 1.00 26.05 0.199 C +ATOM 1395 OG SER A 147 -16.269 19.423 58.945 1.00 30.42 -0.398 OA +ATOM 1396 HG SER A 147 -15.876 18.660 58.538 1.00 0.00 0.209 HD +ATOM 1397 N VAL A 148 -20.476 20.592 59.628 1.00 25.32 -0.346 N +ATOM 1398 HN VAL A 148 -20.124 21.031 58.777 1.00 0.00 0.163 HD +ATOM 1399 CA VAL A 148 -21.911 20.554 59.865 1.00 26.26 0.180 C +ATOM 1400 C VAL A 148 -22.584 19.656 58.838 1.00 30.06 0.241 C +ATOM 1401 O VAL A 148 -22.147 19.544 57.686 1.00 28.78 -0.271 OA +ATOM 1402 CB VAL A 148 -22.529 21.969 59.846 1.00 28.80 0.009 C +ATOM 1403 CG1 VAL A 148 -21.922 22.824 60.950 1.00 30.53 0.012 C +ATOM 1404 CG2 VAL A 148 -22.327 22.622 58.490 1.00 29.80 0.012 C +ATOM 1405 N GLY A 149 -23.650 18.994 59.276 1.00 27.96 -0.351 N +ATOM 1406 HN GLY A 149 -23.849 18.993 60.276 1.00 0.00 0.163 HD +ATOM 1407 CA GLY A 149 -24.540 18.274 58.391 1.00 28.23 0.225 C +ATOM 1408 C GLY A 149 -25.803 19.086 58.180 1.00 31.16 0.236 C +ATOM 1409 O GLY A 149 -26.241 19.814 59.068 1.00 26.13 -0.272 OA +ATOM 1410 N PHE A 150 -26.389 18.963 56.992 1.00 23.38 -0.346 N +ATOM 1411 HN PHE A 150 -26.069 18.254 56.332 1.00 0.00 0.163 HD +ATOM 1412 CA PHE A 150 -27.490 19.848 56.642 1.00 31.49 0.180 C +ATOM 1413 C PHE A 150 -28.366 19.206 55.578 1.00 30.93 0.241 C +ATOM 1414 O PHE A 150 -27.928 18.340 54.816 1.00 27.90 -0.271 OA +ATOM 1415 CB PHE A 150 -26.972 21.204 56.149 1.00 27.04 0.073 C +ATOM 1416 CG PHE A 150 -26.192 21.125 54.865 1.00 30.67 -0.056 A +ATOM 1417 CD1 PHE A 150 -24.842 20.814 54.876 1.00 30.93 0.007 A +ATOM 1418 CD2 PHE A 150 -26.810 21.359 53.646 1.00 32.96 0.007 A +ATOM 1419 CE1 PHE A 150 -24.122 20.737 53.698 1.00 31.18 0.001 A +ATOM 1420 CE2 PHE A 150 -26.096 21.284 52.464 1.00 33.04 0.001 A +ATOM 1421 CZ PHE A 150 -24.750 20.973 52.491 1.00 36.84 0.000 A +ATOM 1422 N ASN A 151 -29.619 19.653 55.547 1.00 30.01 -0.346 N +ATOM 1423 HN ASN A 151 -29.956 20.193 56.344 1.00 0.00 0.163 HD +ATOM 1424 CA ASN A 151 -30.535 19.417 54.444 1.00 35.52 0.185 C +ATOM 1425 C ASN A 151 -31.061 20.760 53.956 1.00 36.96 0.241 C +ATOM 1426 O ASN A 151 -31.091 21.740 54.707 1.00 32.38 -0.271 OA +ATOM 1427 CB ASN A 151 -31.705 18.512 54.857 1.00 28.64 0.137 C +ATOM 1428 CG ASN A 151 -31.300 17.057 54.989 1.00 32.83 0.217 C +ATOM 1429 ND2 ASN A 151 -31.273 16.559 56.220 1.00 29.52 -0.370 N +ATOM 1430 1HD2 ASN A 151 -31.001 15.580 56.309 1.00 0.00 0.159 HD +ATOM 1431 2HD2 ASN A 151 -31.505 17.116 57.043 1.00 0.00 0.159 HD +ATOM 1432 OD1 ASN A 151 -31.020 16.385 53.996 1.00 34.81 -0.274 OA +ATOM 1433 N ILE A 152 -31.466 20.808 52.691 1.00 34.85 -0.346 N +ATOM 1434 HN ILE A 152 -31.410 19.960 52.126 1.00 0.00 0.163 HD +ATOM 1435 CA ILE A 152 -31.988 22.025 52.078 1.00 41.87 0.180 C +ATOM 1436 C ILE A 152 -33.430 21.754 51.677 1.00 46.04 0.241 C +ATOM 1437 O ILE A 152 -33.688 21.003 50.728 1.00 52.68 -0.271 OA +ATOM 1438 CB ILE A 152 -31.150 22.471 50.873 1.00 40.85 0.013 C +ATOM 1439 CG1 ILE A 152 -29.720 22.793 51.311 1.00 39.00 0.002 C +ATOM 1440 CG2 ILE A 152 -31.784 23.682 50.206 1.00 50.84 0.012 C +ATOM 1441 CD1 ILE A 152 -28.825 23.255 50.183 1.00 43.80 0.005 C +ATOM 1442 N ASP A 153 -34.371 22.360 52.401 1.00 52.69 -0.345 N +ATOM 1443 HN ASP A 153 -34.090 22.960 53.176 1.00 0.00 0.163 HD +ATOM 1444 CA ASP A 153 -35.790 22.190 52.117 1.00 60.52 0.186 C +ATOM 1445 C ASP A 153 -36.142 22.824 50.778 1.00 67.41 0.241 C +ATOM 1446 O ASP A 153 -36.488 22.124 49.821 1.00 75.21 -0.271 OA +ATOM 1447 CB ASP A 153 -36.634 22.799 53.240 1.00 65.02 0.147 C +ATOM 1448 CG ASP A 153 -37.904 22.015 53.504 1.00 75.87 0.175 C +ATOM 1449 OD1 ASP A 153 -38.568 21.610 52.527 1.00 79.94 -0.648 OA +ATOM 1450 OD2 ASP A 153 -38.237 21.804 54.689 1.00 77.44 -0.648 OA +ATOM 1451 N TYR A 154 -36.061 24.151 50.708 1.00 64.25 -0.346 N +ATOM 1452 HN TYR A 154 -35.862 24.676 51.559 1.00 0.00 0.163 HD +ATOM 1453 CA TYR A 154 -36.246 24.881 49.460 1.00 62.43 0.180 C +ATOM 1454 C TYR A 154 -35.086 25.848 49.280 1.00 62.70 0.241 C +ATOM 1455 O TYR A 154 -34.151 25.583 48.517 1.00 64.83 -0.271 OA +ATOM 1456 CB TYR A 154 -37.580 25.629 49.462 1.00 64.26 0.073 C +ATOM 1457 CG TYR A 154 -38.651 24.978 48.620 1.00 76.60 -0.056 A +ATOM 1458 CD1 TYR A 154 -39.239 23.783 49.011 1.00 76.32 0.010 A +ATOM 1459 CD2 TYR A 154 -39.078 25.561 47.434 1.00 76.70 0.010 A +ATOM 1460 CE1 TYR A 154 -40.222 23.184 48.244 1.00 81.64 0.037 A +ATOM 1461 CE2 TYR A 154 -40.060 24.971 46.661 1.00 80.18 0.037 A +ATOM 1462 CZ TYR A 154 -40.628 23.783 47.070 1.00 86.72 0.065 A +ATOM 1463 OH TYR A 154 -41.606 23.193 46.302 1.00 86.80 -0.361 OA +ATOM 1464 HH TYR A 154 -41.886 23.606 45.493 1.00 0.00 0.217 HD +ATOM 1465 N ASP A 155 -35.146 26.976 49.984 1.00 60.02 -0.345 N +ATOM 1466 HN ASP A 155 -36.028 27.221 50.435 1.00 0.00 0.163 HD +ATOM 1467 CA ASP A 155 -34.013 27.876 50.141 1.00 63.44 0.186 C +ATOM 1468 C ASP A 155 -33.515 27.902 51.580 1.00 54.86 0.241 C +ATOM 1469 O ASP A 155 -32.618 28.687 51.905 1.00 53.92 -0.271 OA +ATOM 1470 CB ASP A 155 -34.386 29.289 49.689 1.00 63.17 0.147 C +ATOM 1471 CG ASP A 155 -35.485 29.899 50.537 1.00 67.12 0.175 C +ATOM 1472 OD1 ASP A 155 -36.403 29.158 50.949 1.00 65.31 -0.648 OA +ATOM 1473 OD2 ASP A 155 -35.432 31.120 50.794 1.00 67.10 -0.648 OA +ATOM 1474 N CYS A 156 -34.076 27.059 52.443 1.00 51.88 -0.345 N +ATOM 1475 HN CYS A 156 -34.725 26.359 52.085 1.00 0.00 0.163 HD +ATOM 1476 CA CYS A 156 -33.808 27.088 53.873 1.00 47.11 0.186 C +ATOM 1477 C CYS A 156 -32.890 25.929 54.241 1.00 40.27 0.242 C +ATOM 1478 O CYS A 156 -33.222 24.765 53.995 1.00 40.45 -0.271 OA +ATOM 1479 CB CYS A 156 -35.112 27.015 54.665 1.00 48.72 0.120 C +ATOM 1480 SG CYS A 156 -34.916 26.550 56.396 1.00 55.79 -0.095 SA +ATOM 1481 N VAL A 157 -31.744 26.248 54.832 1.00 37.71 -0.346 N +ATOM 1482 HN VAL A 157 -31.522 27.231 54.989 1.00 0.00 0.163 HD +ATOM 1483 CA VAL A 157 -30.794 25.228 55.263 1.00 40.48 0.180 C +ATOM 1484 C VAL A 157 -31.224 24.697 56.622 1.00 37.91 0.241 C +ATOM 1485 O VAL A 157 -31.343 25.457 57.591 1.00 37.72 -0.271 OA +ATOM 1486 CB VAL A 157 -29.365 25.786 55.319 1.00 39.56 0.009 C +ATOM 1487 CG1 VAL A 157 -28.378 24.675 55.644 1.00 27.46 0.012 C +ATOM 1488 CG2 VAL A 157 -29.003 26.458 54.006 1.00 42.10 0.012 C +ATOM 1489 N SER A 158 -31.451 23.391 56.703 1.00 37.64 -0.344 N +ATOM 1490 HN SER A 158 -31.377 22.828 55.856 1.00 0.00 0.163 HD +ATOM 1491 CA SER A 158 -31.802 22.730 57.956 1.00 35.25 0.200 C +ATOM 1492 C SER A 158 -30.540 22.086 58.517 1.00 34.22 0.243 C +ATOM 1493 O SER A 158 -30.177 20.971 58.135 1.00 33.58 -0.271 OA +ATOM 1494 CB SER A 158 -32.911 21.706 57.742 1.00 39.56 0.199 C +ATOM 1495 OG SER A 158 -34.152 22.344 57.498 1.00 46.93 -0.398 OA +ATOM 1496 HG SER A 158 -34.843 21.706 57.365 1.00 0.00 0.209 HD +ATOM 1497 N PHE A 159 -29.865 22.797 59.418 1.00 30.35 -0.346 N +ATOM 1498 HN PHE A 159 -30.179 23.739 59.652 1.00 0.00 0.163 HD +ATOM 1499 CA PHE A 159 -28.686 22.252 60.075 1.00 28.89 0.180 C +ATOM 1500 C PHE A 159 -29.103 21.192 61.086 1.00 30.48 0.241 C +ATOM 1501 O PHE A 159 -29.973 21.431 61.929 1.00 31.69 -0.271 OA +ATOM 1502 CB PHE A 159 -27.896 23.363 60.765 1.00 29.95 0.073 C +ATOM 1503 CG PHE A 159 -27.286 24.355 59.817 1.00 27.12 -0.056 A +ATOM 1504 CD1 PHE A 159 -26.139 24.041 59.107 1.00 23.30 0.007 A +ATOM 1505 CD2 PHE A 159 -27.857 25.606 59.642 1.00 27.13 0.007 A +ATOM 1506 CE1 PHE A 159 -25.574 24.954 58.236 1.00 22.49 0.001 A +ATOM 1507 CE2 PHE A 159 -27.298 26.523 58.772 1.00 21.46 0.001 A +ATOM 1508 CZ PHE A 159 -26.154 26.197 58.069 1.00 25.42 0.000 A +ATOM 1509 N CYS A 160 -28.477 20.018 61.007 1.00 27.59 -0.345 N +ATOM 1510 HN CYS A 160 -27.703 19.907 60.352 1.00 0.00 0.163 HD +ATOM 1511 CA CYS A 160 -28.876 18.893 61.837 1.00 29.38 0.186 C +ATOM 1512 C CYS A 160 -27.729 18.182 62.538 1.00 27.74 0.242 C +ATOM 1513 O CYS A 160 -27.997 17.319 63.381 1.00 32.03 -0.271 OA +ATOM 1514 CB CYS A 160 -29.647 17.861 61.000 1.00 31.79 0.120 C +ATOM 1515 SG CYS A 160 -28.664 17.112 59.689 1.00 35.39 -0.095 SA +ATOM 1516 N TYR A 161 -26.476 18.509 62.235 1.00 29.51 -0.346 N +ATOM 1517 HN TYR A 161 -26.297 19.301 61.618 1.00 0.00 0.163 HD +ATOM 1518 CA TYR A 161 -25.358 17.750 62.774 1.00 24.96 0.180 C +ATOM 1519 C TYR A 161 -24.121 18.631 62.848 1.00 27.16 0.241 C +ATOM 1520 O TYR A 161 -23.894 19.470 61.974 1.00 25.90 -0.271 OA +ATOM 1521 CB TYR A 161 -25.074 16.515 61.911 1.00 27.30 0.073 C +ATOM 1522 CG TYR A 161 -23.908 15.673 62.380 1.00 27.33 -0.056 A +ATOM 1523 CD1 TYR A 161 -24.061 14.756 63.411 1.00 24.56 0.010 A +ATOM 1524 CD2 TYR A 161 -22.659 15.785 61.783 1.00 27.43 0.010 A +ATOM 1525 CE1 TYR A 161 -23.004 13.980 63.839 1.00 23.21 0.037 A +ATOM 1526 CE2 TYR A 161 -21.594 15.013 62.205 1.00 21.74 0.037 A +ATOM 1527 CZ TYR A 161 -21.772 14.113 63.234 1.00 26.15 0.065 A +ATOM 1528 OH TYR A 161 -20.715 13.340 63.658 1.00 24.39 -0.361 OA +ATOM 1529 HH TYR A 161 -19.866 13.432 63.241 1.00 0.00 0.217 HD +ATOM 1530 N MET A 162 -23.334 18.436 63.904 1.00 25.59 -0.346 N +ATOM 1531 HN MET A 162 -23.678 17.848 64.663 1.00 0.00 0.163 HD +ATOM 1532 CA MET A 162 -22.006 19.022 64.028 1.00 26.04 0.177 C +ATOM 1533 C MET A 162 -21.066 17.931 64.516 1.00 23.77 0.241 C +ATOM 1534 O MET A 162 -21.362 17.252 65.504 1.00 23.47 -0.271 OA +ATOM 1535 CB MET A 162 -22.000 20.218 64.990 1.00 24.61 0.045 C +ATOM 1536 CG MET A 162 -20.620 20.824 65.217 1.00 25.23 0.076 C +ATOM 1537 SD MET A 162 -20.661 22.392 66.114 1.00 33.95 -0.173 SA +ATOM 1538 CE MET A 162 -21.109 23.529 64.803 1.00 28.77 0.089 C +ATOM 1539 N HIS A 163 -19.947 17.753 63.819 1.00 22.67 -0.346 N +ATOM 1540 HN HIS A 163 -19.710 18.409 63.075 1.00 0.00 0.163 HD +ATOM 1541 CA HIS A 163 -19.055 16.637 64.100 1.00 27.27 0.182 C +ATOM 1542 C HIS A 163 -18.229 16.896 65.353 1.00 26.21 0.241 C +ATOM 1543 O HIS A 163 -17.765 18.016 65.590 1.00 27.47 -0.271 OA +ATOM 1544 CB HIS A 163 -18.129 16.377 62.914 1.00 26.00 0.093 C +ATOM 1545 CG HIS A 163 -17.215 15.210 63.116 1.00 26.66 0.028 A +ATOM 1546 CD2 HIS A 163 -15.868 15.106 63.030 1.00 29.24 0.114 A +ATOM 1547 ND1 HIS A 163 -17.675 13.959 63.466 1.00 26.97 -0.354 N +ATOM 1548 HD1 HIS A 163 -18.653 13.710 63.613 1.00 0.00 0.166 HD +ATOM 1549 CE1 HIS A 163 -16.651 13.132 63.581 1.00 30.44 0.180 A +ATOM 1550 NE2 HIS A 163 -15.543 13.804 63.323 1.00 30.00 -0.360 N +ATOM 1551 HE2 HIS A 163 -14.599 13.418 63.339 1.00 0.00 0.166 HD +ATOM 1552 N HIS A 164 -18.035 15.849 66.145 1.00 26.00 -0.346 N +ATOM 1553 HN HIS A 164 -18.385 14.933 65.862 1.00 0.00 0.163 HD +ATOM 1554 CA HIS A 164 -17.329 15.988 67.414 1.00 34.12 0.182 C +ATOM 1555 C HIS A 164 -16.213 14.974 67.613 1.00 31.14 0.241 C +ATOM 1556 O HIS A 164 -15.161 15.336 68.144 1.00 36.46 -0.271 OA +ATOM 1557 CB HIS A 164 -18.324 15.889 68.582 1.00 28.25 0.093 C +ATOM 1558 CG HIS A 164 -19.098 17.148 68.820 1.00 33.09 0.028 A +ATOM 1559 CD2 HIS A 164 -20.086 17.737 68.106 1.00 29.37 0.114 A +ATOM 1560 ND1 HIS A 164 -18.888 17.954 69.918 1.00 29.04 -0.354 N +ATOM 1561 HD1 HIS A 164 -18.203 17.781 70.654 1.00 0.00 0.166 HD +ATOM 1562 CE1 HIS A 164 -19.711 18.985 69.869 1.00 28.86 0.180 A +ATOM 1563 NE2 HIS A 164 -20.448 18.878 68.777 1.00 31.33 -0.360 N +ATOM 1564 HE2 HIS A 164 -21.169 19.536 68.481 1.00 0.00 0.166 HD +ATOM 1565 N MET A 165 -16.406 13.719 67.212 1.00 28.31 -0.346 N +ATOM 1566 HN MET A 165 -17.242 13.471 66.684 1.00 0.00 0.163 HD +ATOM 1567 CA MET A 165 -15.411 12.702 67.535 1.00 34.30 0.177 C +ATOM 1568 C MET A 165 -15.651 11.445 66.709 1.00 31.53 0.241 C +ATOM 1569 O MET A 165 -16.653 11.315 66.000 1.00 29.92 -0.271 OA +ATOM 1570 CB MET A 165 -15.435 12.364 69.027 1.00 39.09 0.045 C +ATOM 1571 CG MET A 165 -16.781 11.878 69.510 1.00 36.67 0.076 C +ATOM 1572 SD MET A 165 -16.725 11.270 71.202 1.00 60.86 -0.173 SA +ATOM 1573 CE MET A 165 -18.459 10.934 71.465 1.00 42.06 0.089 C +ATOM 1574 N GLU A 166 -14.706 10.515 66.826 1.00 29.94 -0.346 N +ATOM 1575 HN GLU A 166 -13.901 10.725 67.416 1.00 0.00 0.163 HD +ATOM 1576 CA GLU A 166 -14.746 9.219 66.167 1.00 28.52 0.177 C +ATOM 1577 C GLU A 166 -14.686 8.122 67.218 1.00 33.40 0.241 C +ATOM 1578 O GLU A 166 -13.884 8.192 68.156 1.00 30.18 -0.271 OA +ATOM 1579 CB GLU A 166 -13.578 9.064 65.189 1.00 29.90 0.045 C +ATOM 1580 CG GLU A 166 -13.555 7.770 64.398 1.00 36.08 0.116 C +ATOM 1581 CD GLU A 166 -12.432 7.748 63.378 1.00 45.17 0.172 C +ATOM 1582 OE1 GLU A 166 -11.440 7.019 63.595 1.00 50.70 -0.648 OA +ATOM 1583 OE2 GLU A 166 -12.536 8.469 62.363 1.00 40.54 -0.648 OA +ATOM 1584 N LEU A 167 -15.536 7.116 67.061 1.00 31.24 -0.346 N +ATOM 1585 HN LEU A 167 -16.188 7.130 66.277 1.00 0.00 0.163 HD +ATOM 1586 CA LEU A 167 -15.557 5.995 67.983 1.00 31.34 0.177 C +ATOM 1587 C LEU A 167 -14.508 4.960 67.582 1.00 37.94 0.243 C +ATOM 1588 O LEU A 167 -14.042 4.948 66.439 1.00 38.96 -0.271 OA +ATOM 1589 CB LEU A 167 -16.951 5.377 68.012 1.00 30.02 0.038 C +ATOM 1590 CG LEU A 167 -18.065 6.349 68.410 1.00 32.99 -0.020 C +ATOM 1591 CD1 LEU A 167 -19.406 5.641 68.485 1.00 35.09 0.009 C +ATOM 1592 CD2 LEU A 167 -17.742 7.034 69.731 1.00 38.72 0.009 C +ATOM 1593 N PRO A 168 -14.101 4.090 68.515 1.00 40.04 -0.337 N +ATOM 1594 CA PRO A 168 -13.058 3.099 68.191 1.00 37.38 0.179 C +ATOM 1595 C PRO A 168 -13.368 2.232 66.981 1.00 42.32 0.241 C +ATOM 1596 O PRO A 168 -12.436 1.774 66.307 1.00 43.53 -0.271 OA +ATOM 1597 CB PRO A 168 -12.975 2.260 69.473 1.00 41.24 0.037 C +ATOM 1598 CG PRO A 168 -13.394 3.190 70.551 1.00 45.84 0.022 C +ATOM 1599 CD PRO A 168 -14.451 4.071 69.947 1.00 33.25 0.127 C +ATOM 1600 N THR A 169 -14.643 1.994 66.680 1.00 40.94 -0.344 N +ATOM 1601 HN THR A 169 -15.376 2.392 67.267 1.00 0.00 0.163 HD +ATOM 1602 CA THR A 169 -15.014 1.178 65.531 1.00 38.12 0.205 C +ATOM 1603 C THR A 169 -14.893 1.920 64.206 1.00 39.50 0.243 C +ATOM 1604 O THR A 169 -15.177 1.330 63.158 1.00 39.33 -0.271 OA +ATOM 1605 CB THR A 169 -16.446 0.658 65.692 1.00 43.58 0.146 C +ATOM 1606 CG2 THR A 169 -16.511 -0.390 66.795 1.00 42.72 0.042 C +ATOM 1607 OG1 THR A 169 -17.318 1.747 66.019 1.00 42.26 -0.393 OA +ATOM 1608 HG1 THR A 169 -18.206 1.425 66.119 1.00 0.00 0.210 HD +ATOM 1609 N GLY A 170 -14.482 3.187 64.220 1.00 39.12 -0.350 N +ATOM 1610 HN GLY A 170 -14.250 3.622 65.113 1.00 0.00 0.163 HD +ATOM 1611 CA GLY A 170 -14.354 3.965 63.009 1.00 38.41 0.225 C +ATOM 1612 C GLY A 170 -15.560 4.807 62.656 1.00 36.73 0.236 C +ATOM 1613 O GLY A 170 -15.482 5.605 61.713 1.00 39.19 -0.272 OA +ATOM 1614 N VAL A 171 -16.673 4.654 63.372 1.00 32.47 -0.346 N +ATOM 1615 HN VAL A 171 -16.696 3.949 64.109 1.00 0.00 0.163 HD +ATOM 1616 CA VAL A 171 -17.859 5.467 63.130 1.00 29.31 0.180 C +ATOM 1617 C VAL A 171 -17.684 6.804 63.837 1.00 37.09 0.241 C +ATOM 1618 O VAL A 171 -16.757 6.980 64.635 1.00 30.46 -0.271 OA +ATOM 1619 CB VAL A 171 -19.140 4.752 63.594 1.00 31.56 0.009 C +ATOM 1620 CG1 VAL A 171 -19.397 3.520 62.739 1.00 42.63 0.012 C +ATOM 1621 CG2 VAL A 171 -19.039 4.380 65.062 1.00 35.89 0.012 C +ATOM 1622 N HIS A 172 -18.573 7.750 63.554 1.00 33.02 -0.346 N +ATOM 1623 HN HIS A 172 -19.374 7.513 62.969 1.00 0.00 0.163 HD +ATOM 1624 CA HIS A 172 -18.444 9.111 64.049 1.00 29.85 0.182 C +ATOM 1625 C HIS A 172 -19.693 9.516 64.819 1.00 28.73 0.241 C +ATOM 1626 O HIS A 172 -20.794 9.023 64.557 1.00 28.16 -0.271 OA +ATOM 1627 CB HIS A 172 -18.188 10.085 62.898 1.00 26.76 0.093 C +ATOM 1628 CG HIS A 172 -16.989 9.734 62.074 1.00 28.76 0.028 A +ATOM 1629 CD2 HIS A 172 -15.678 10.030 62.237 1.00 29.36 0.114 A +ATOM 1630 ND1 HIS A 172 -17.070 8.967 60.931 1.00 29.32 -0.354 N +ATOM 1631 HD1 HIS A 172 -17.929 8.579 60.541 1.00 0.00 0.166 HD +ATOM 1632 CE1 HIS A 172 -15.861 8.814 60.420 1.00 32.44 0.180 A +ATOM 1633 NE2 HIS A 172 -14.998 9.449 61.194 1.00 33.77 -0.360 N +ATOM 1634 HE2 HIS A 172 -13.991 9.500 61.042 1.00 0.00 0.166 HD +ATOM 1635 N ALA A 173 -19.507 10.418 65.779 1.00 29.16 -0.346 N +ATOM 1636 HN ALA A 173 -18.569 10.793 65.923 1.00 0.00 0.163 HD +ATOM 1637 CA ALA A 173 -20.584 10.891 66.630 1.00 26.75 0.172 C +ATOM 1638 C ALA A 173 -20.528 12.406 66.731 1.00 26.43 0.240 C +ATOM 1639 O ALA A 173 -19.460 13.014 66.626 1.00 28.60 -0.271 OA +ATOM 1640 CB ALA A 173 -20.510 10.272 68.034 1.00 32.55 0.042 C +ATOM 1641 N GLY A 174 -21.691 13.009 66.934 1.00 26.18 -0.351 N +ATOM 1642 HN GLY A 174 -22.541 12.450 66.998 1.00 0.00 0.163 HD +ATOM 1643 CA GLY A 174 -21.774 14.443 67.066 1.00 26.05 0.225 C +ATOM 1644 C GLY A 174 -23.081 14.855 67.700 1.00 24.76 0.236 C +ATOM 1645 O GLY A 174 -23.815 14.031 68.247 1.00 24.68 -0.272 OA +ATOM 1646 N THR A 175 -23.363 16.149 67.615 1.00 16.91 -0.344 N +ATOM 1647 HN THR A 175 -22.720 16.755 67.105 1.00 0.00 0.163 HD +ATOM 1648 CA THR A 175 -24.546 16.742 68.216 1.00 19.69 0.205 C +ATOM 1649 C THR A 175 -25.379 17.433 67.146 1.00 24.03 0.243 C +ATOM 1650 O THR A 175 -24.942 17.622 66.008 1.00 25.67 -0.271 OA +ATOM 1651 CB THR A 175 -24.167 17.756 69.306 1.00 24.54 0.146 C +ATOM 1652 CG2 THR A 175 -23.072 17.203 70.202 1.00 20.58 0.042 C +ATOM 1653 OG1 THR A 175 -23.698 18.964 68.692 1.00 26.54 -0.393 OA +ATOM 1654 HG1 THR A 175 -23.464 19.591 69.366 1.00 0.00 0.210 HD +ATOM 1655 N ASP A 176 -26.597 17.810 67.524 1.00 25.13 -0.345 N +ATOM 1656 HN ASP A 176 -27.012 17.411 68.366 1.00 0.00 0.163 HD +ATOM 1657 CA ASP A 176 -27.340 18.787 66.746 1.00 29.00 0.186 C +ATOM 1658 C ASP A 176 -26.767 20.177 67.025 1.00 33.50 0.241 C +ATOM 1659 O ASP A 176 -25.829 20.342 67.810 1.00 30.82 -0.271 OA +ATOM 1660 CB ASP A 176 -28.833 18.706 67.062 1.00 27.46 0.147 C +ATOM 1661 CG ASP A 176 -29.127 18.779 68.551 1.00 37.54 0.175 C +ATOM 1662 OD1 ASP A 176 -28.308 19.340 69.309 1.00 34.75 -0.648 OA +ATOM 1663 OD2 ASP A 176 -30.193 18.278 68.967 1.00 40.56 -0.648 OA +ATOM 1664 N LEU A 177 -27.336 21.196 66.384 1.00 31.64 -0.346 N +ATOM 1665 HN LEU A 177 -28.161 21.045 65.804 1.00 0.00 0.163 HD +ATOM 1666 CA LEU A 177 -26.765 22.531 66.521 1.00 33.12 0.177 C +ATOM 1667 C LEU A 177 -27.097 23.194 67.852 1.00 32.72 0.241 C +ATOM 1668 O LEU A 177 -26.627 24.310 68.094 1.00 33.84 -0.271 OA +ATOM 1669 CB LEU A 177 -27.213 23.423 65.359 1.00 27.51 0.038 C +ATOM 1670 CG LEU A 177 -26.192 23.530 64.223 1.00 33.83 -0.020 C +ATOM 1671 CD1 LEU A 177 -24.893 24.130 64.742 1.00 35.02 0.009 C +ATOM 1672 CD2 LEU A 177 -25.936 22.174 63.580 1.00 35.14 0.009 C +ATOM 1673 N GLU A 178 -27.881 22.545 68.708 1.00 36.73 -0.346 N +ATOM 1674 HN GLU A 178 -28.327 21.683 68.395 1.00 0.00 0.163 HD +ATOM 1675 CA GLU A 178 -28.137 23.000 70.069 1.00 36.85 0.177 C +ATOM 1676 C GLU A 178 -27.211 22.346 71.086 1.00 38.02 0.240 C +ATOM 1677 O GLU A 178 -27.408 22.527 72.293 1.00 34.89 -0.271 OA +ATOM 1678 CB GLU A 178 -29.596 22.728 70.455 1.00 41.16 0.045 C +ATOM 1679 CG GLU A 178 -30.603 22.994 69.339 1.00 47.87 0.116 C +ATOM 1680 CD GLU A 178 -31.132 24.411 69.373 1.00 55.20 0.172 C +ATOM 1681 OE1 GLU A 178 -30.472 25.274 69.991 1.00 59.22 -0.648 OA +ATOM 1682 OE2 GLU A 178 -32.202 24.659 68.777 1.00 54.25 -0.648 OA +ATOM 1683 N GLY A 179 -26.234 21.562 70.630 1.00 30.25 -0.351 N +ATOM 1684 HN GLY A 179 -26.183 21.373 69.629 1.00 0.00 0.163 HD +ATOM 1685 CA GLY A 179 -25.243 20.969 71.502 1.00 31.66 0.225 C +ATOM 1686 C GLY A 179 -25.615 19.635 72.107 1.00 32.94 0.236 C +ATOM 1687 O GLY A 179 -24.836 19.097 72.903 1.00 31.20 -0.272 OA +ATOM 1688 N ASN A 180 -26.770 19.079 71.762 1.00 30.48 -0.346 N +ATOM 1689 HN ASN A 180 -27.360 19.544 71.072 1.00 0.00 0.163 HD +ATOM 1690 CA ASN A 180 -27.215 17.821 72.345 1.00 28.25 0.185 C +ATOM 1691 C ASN A 180 -26.740 16.665 71.474 1.00 30.27 0.241 C +ATOM 1692 O ASN A 180 -27.064 16.602 70.282 1.00 27.11 -0.271 OA +ATOM 1693 CB ASN A 180 -28.734 17.811 72.497 1.00 33.31 0.137 C +ATOM 1694 CG ASN A 180 -29.230 18.923 73.398 1.00 35.42 0.217 C +ATOM 1695 ND2 ASN A 180 -29.981 19.855 72.827 1.00 37.17 -0.370 N +ATOM 1696 1HD2 ASN A 180 -30.315 20.604 73.434 1.00 0.00 0.159 HD +ATOM 1697 2HD2 ASN A 180 -30.224 19.836 71.836 1.00 0.00 0.159 HD +ATOM 1698 OD1 ASN A 180 -28.937 18.946 74.594 1.00 31.56 -0.274 OA +ATOM 1699 N PHE A 181 -25.981 15.753 72.077 1.00 24.02 -0.346 N +ATOM 1700 HN PHE A 181 -25.804 15.834 73.078 1.00 0.00 0.163 HD +ATOM 1701 CA PHE A 181 -25.398 14.642 71.338 1.00 28.64 0.180 C +ATOM 1702 C PHE A 181 -26.479 13.740 70.757 1.00 27.74 0.241 C +ATOM 1703 O PHE A 181 -27.564 13.582 71.323 1.00 27.75 -0.271 OA +ATOM 1704 CB PHE A 181 -24.481 13.819 72.247 1.00 26.92 0.073 C +ATOM 1705 CG PHE A 181 -23.017 14.038 71.995 1.00 26.64 -0.056 A +ATOM 1706 CD1 PHE A 181 -22.363 13.354 70.983 1.00 25.04 0.007 A +ATOM 1707 CD2 PHE A 181 -22.293 14.923 72.777 1.00 26.06 0.007 A +ATOM 1708 CE1 PHE A 181 -21.015 13.554 70.752 1.00 27.50 0.001 A +ATOM 1709 CE2 PHE A 181 -20.946 15.127 72.550 1.00 29.98 0.001 A +ATOM 1710 CZ PHE A 181 -20.306 14.442 71.537 1.00 29.14 0.000 A +ATOM 1711 N TYR A 182 -26.172 13.150 69.604 1.00 29.30 -0.346 N +ATOM 1712 HN TYR A 182 -25.362 13.479 69.079 1.00 0.00 0.163 HD +ATOM 1713 CA TYR A 182 -26.962 12.046 69.071 1.00 25.62 0.180 C +ATOM 1714 C TYR A 182 -26.467 10.762 69.725 1.00 24.04 0.241 C +ATOM 1715 O TYR A 182 -25.329 10.342 69.494 1.00 28.52 -0.271 OA +ATOM 1716 CB TYR A 182 -26.837 11.965 67.552 1.00 26.72 0.073 C +ATOM 1717 CG TYR A 182 -27.578 13.040 66.788 1.00 25.22 -0.056 A +ATOM 1718 CD1 TYR A 182 -28.946 12.945 66.566 1.00 23.72 0.010 A +ATOM 1719 CD2 TYR A 182 -26.905 14.139 66.271 1.00 23.16 0.010 A +ATOM 1720 CE1 TYR A 182 -29.624 13.923 65.860 1.00 28.59 0.037 A +ATOM 1721 CE2 TYR A 182 -27.575 15.121 65.564 1.00 22.77 0.037 A +ATOM 1722 CZ TYR A 182 -28.934 15.008 65.362 1.00 24.08 0.065 A +ATOM 1723 OH TYR A 182 -29.603 15.983 64.659 1.00 27.97 -0.361 OA +ATOM 1724 HH TYR A 182 -29.128 16.731 64.316 1.00 0.00 0.217 HD +ATOM 1725 N GLY A 183 -27.305 10.147 70.556 1.00 25.88 -0.351 N +ATOM 1726 HN GLY A 183 -28.212 10.571 70.752 1.00 0.00 0.163 HD +ATOM 1727 CA GLY A 183 -26.962 8.895 71.186 1.00 27.44 0.225 C +ATOM 1728 C GLY A 183 -26.318 9.060 72.547 1.00 28.90 0.238 C +ATOM 1729 O GLY A 183 -26.182 10.171 73.068 1.00 29.68 -0.272 OA +ATOM 1730 N PRO A 184 -25.898 7.935 73.152 1.00 30.61 -0.337 N +ATOM 1731 CA PRO A 184 -25.339 7.951 74.509 1.00 35.89 0.179 C +ATOM 1732 C PRO A 184 -23.844 8.253 74.541 1.00 36.43 0.241 C +ATOM 1733 O PRO A 184 -23.060 7.562 75.201 1.00 45.10 -0.271 OA +ATOM 1734 CB PRO A 184 -25.635 6.528 75.004 1.00 24.72 0.037 C +ATOM 1735 CG PRO A 184 -25.508 5.698 73.760 1.00 30.83 0.022 C +ATOM 1736 CD PRO A 184 -25.977 6.568 72.606 1.00 30.89 0.127 C +ATOM 1737 N PHE A 185 -23.436 9.298 73.830 1.00 27.29 -0.346 N +ATOM 1738 HN PHE A 185 -24.135 9.881 73.369 1.00 0.00 0.163 HD +ATOM 1739 CA PHE A 185 -22.032 9.643 73.683 1.00 32.30 0.180 C +ATOM 1740 C PHE A 185 -21.727 10.963 74.380 1.00 36.71 0.241 C +ATOM 1741 O PHE A 185 -22.596 11.829 74.517 1.00 31.19 -0.271 OA +ATOM 1742 CB PHE A 185 -21.649 9.727 72.203 1.00 32.57 0.073 C +ATOM 1743 CG PHE A 185 -22.037 8.512 71.409 1.00 36.05 -0.056 A +ATOM 1744 CD1 PHE A 185 -21.517 7.268 71.722 1.00 34.58 0.007 A +ATOM 1745 CD2 PHE A 185 -22.924 8.614 70.350 1.00 26.99 0.007 A +ATOM 1746 CE1 PHE A 185 -21.874 6.148 70.995 1.00 34.92 0.001 A +ATOM 1747 CE2 PHE A 185 -23.284 7.499 69.618 1.00 32.50 0.001 A +ATOM 1748 CZ PHE A 185 -22.759 6.264 69.942 1.00 30.45 0.000 A +ATOM 1749 N VAL A 186 -20.479 11.103 74.826 1.00 36.48 -0.346 N +ATOM 1750 HN VAL A 186 -19.816 10.345 74.663 1.00 0.00 0.163 HD +ATOM 1751 CA VAL A 186 -20.018 12.289 75.535 1.00 34.53 0.180 C +ATOM 1752 C VAL A 186 -18.704 12.748 74.921 1.00 37.15 0.241 C +ATOM 1753 O VAL A 186 -17.918 11.941 74.414 1.00 33.71 -0.271 OA +ATOM 1754 CB VAL A 186 -19.850 12.026 77.049 1.00 41.23 0.009 C +ATOM 1755 CG1 VAL A 186 -21.209 11.867 77.714 1.00 34.01 0.012 C +ATOM 1756 CG2 VAL A 186 -18.990 10.794 77.281 1.00 36.94 0.012 C +ATOM 1757 N ASP A 187 -18.462 14.058 74.974 1.00 35.60 -0.345 N +ATOM 1758 HN ASP A 187 -19.114 14.664 75.473 1.00 0.00 0.163 HD +ATOM 1759 CA ASP A 187 -17.285 14.649 74.335 1.00 38.81 0.186 C +ATOM 1760 C ASP A 187 -16.080 14.562 75.275 1.00 37.16 0.241 C +ATOM 1761 O ASP A 187 -15.610 15.547 75.849 1.00 38.69 -0.271 OA +ATOM 1762 CB ASP A 187 -17.570 16.085 73.910 1.00 37.81 0.147 C +ATOM 1763 CG ASP A 187 -18.234 16.899 75.003 1.00 33.44 0.175 C +ATOM 1764 OD1 ASP A 187 -18.687 16.304 76.002 1.00 35.30 -0.648 OA +ATOM 1765 OD2 ASP A 187 -18.304 18.138 74.859 1.00 36.30 -0.648 OA +ATOM 1766 N ARG A 188 -15.579 13.337 75.418 1.00 41.07 -0.346 N +ATOM 1767 HN ARG A 188 -16.071 12.552 74.992 1.00 0.00 0.163 HD +ATOM 1768 CA ARG A 188 -14.355 13.079 76.161 1.00 45.49 0.176 C +ATOM 1769 C ARG A 188 -13.724 11.804 75.623 1.00 43.19 0.241 C +ATOM 1770 O ARG A 188 -14.419 10.908 75.136 1.00 36.57 -0.271 OA +ATOM 1771 CB ARG A 188 -14.612 12.971 77.671 1.00 44.09 0.036 C +ATOM 1772 CG ARG A 188 -15.279 11.681 78.112 1.00 47.40 0.023 C +ATOM 1773 CD ARG A 188 -15.488 11.659 79.620 1.00 57.54 0.138 C +ATOM 1774 NE ARG A 188 -16.780 12.223 80.002 1.00 56.65 -0.227 N +ATOM 1775 HE ARG A 188 -17.609 11.641 79.880 1.00 0.00 0.177 HD +ATOM 1776 CZ ARG A 188 -16.946 13.445 80.498 1.00 62.33 0.665 C +ATOM 1777 NH1 ARG A 188 -15.900 14.242 80.676 1.00 58.47 -0.235 N +ATOM 1778 1HH1 ARG A 188 -16.027 15.180 81.057 1.00 0.00 0.174 HD +ATOM 1779 2HH1 ARG A 188 -14.966 13.914 80.431 1.00 0.00 0.174 HD +ATOM 1780 NH2 ARG A 188 -18.161 13.872 80.816 1.00 62.46 -0.235 N +ATOM 1781 1HH2 ARG A 188 -18.288 14.810 81.197 1.00 0.00 0.174 HD +ATOM 1782 2HH2 ARG A 188 -18.965 13.259 80.679 1.00 0.00 0.174 HD +ATOM 1783 N GLN A 189 -12.396 11.733 75.709 1.00 40.15 -0.346 N +ATOM 1784 HN GLN A 189 -11.892 12.465 76.209 1.00 0.00 0.163 HD +ATOM 1785 CA GLN A 189 -11.641 10.633 75.105 1.00 38.41 0.177 C +ATOM 1786 C GLN A 189 -11.563 9.455 76.078 1.00 45.05 0.241 C +ATOM 1787 O GLN A 189 -10.526 9.149 76.671 1.00 49.99 -0.271 OA +ATOM 1788 CB GLN A 189 -10.259 11.109 74.679 1.00 37.59 0.044 C +ATOM 1789 CG GLN A 189 -10.292 12.189 73.610 1.00 45.60 0.105 C +ATOM 1790 CD GLN A 189 -9.031 12.221 72.770 1.00 47.27 0.215 C +ATOM 1791 NE2 GLN A 189 -7.950 11.661 73.302 1.00 44.45 -0.370 N +ATOM 1792 1HE2 GLN A 189 -7.101 11.683 72.737 1.00 0.00 0.159 HD +ATOM 1793 2HE2 GLN A 189 -7.952 11.229 74.226 1.00 0.00 0.159 HD +ATOM 1794 OE1 GLN A 189 -9.029 12.743 71.655 1.00 41.09 -0.274 OA +ATOM 1795 N THR A 190 -12.702 8.787 76.228 1.00 41.89 -0.344 N +ATOM 1796 HN THR A 190 -13.540 9.150 75.774 1.00 0.00 0.163 HD +ATOM 1797 CA THR A 190 -12.814 7.564 77.007 1.00 42.08 0.205 C +ATOM 1798 C THR A 190 -13.344 6.446 76.119 1.00 49.27 0.243 C +ATOM 1799 O THR A 190 -13.749 6.665 74.974 1.00 47.54 -0.271 OA +ATOM 1800 CB THR A 190 -13.733 7.754 78.222 1.00 45.73 0.146 C +ATOM 1801 CG2 THR A 190 -13.185 8.833 79.143 1.00 45.44 0.042 C +ATOM 1802 OG1 THR A 190 -15.045 8.123 77.779 1.00 46.25 -0.393 OA +ATOM 1803 HG1 THR A 190 -15.614 8.241 78.531 1.00 0.00 0.210 HD +ATOM 1804 N ALA A 191 -13.336 5.232 76.664 1.00 45.12 -0.346 N +ATOM 1805 HN ALA A 191 -12.967 5.111 77.607 1.00 0.00 0.163 HD +ATOM 1806 CA ALA A 191 -13.843 4.070 75.942 1.00 47.47 0.172 C +ATOM 1807 C ALA A 191 -15.358 4.175 75.817 1.00 44.46 0.240 C +ATOM 1808 O ALA A 191 -16.083 4.018 76.804 1.00 47.06 -0.271 OA +ATOM 1809 CB ALA A 191 -13.439 2.785 76.657 1.00 48.89 0.042 C +ATOM 1810 N GLN A 192 -15.837 4.449 74.607 1.00 42.30 -0.346 N +ATOM 1811 HN GLN A 192 -15.179 4.595 73.841 1.00 0.00 0.163 HD +ATOM 1812 CA GLN A 192 -17.263 4.548 74.333 1.00 42.18 0.177 C +ATOM 1813 C GLN A 192 -17.611 3.644 73.162 1.00 43.69 0.241 C +ATOM 1814 O GLN A 192 -16.900 3.617 72.153 1.00 41.21 -0.271 OA +ATOM 1815 CB GLN A 192 -17.677 5.991 74.025 1.00 38.85 0.044 C +ATOM 1816 CG GLN A 192 -17.435 6.959 75.168 1.00 39.81 0.105 C +ATOM 1817 CD GLN A 192 -17.848 8.375 74.827 1.00 39.03 0.215 C +ATOM 1818 NE2 GLN A 192 -16.869 9.262 74.699 1.00 37.82 -0.370 N +ATOM 1819 1HE2 GLN A 192 -17.147 10.216 74.469 1.00 0.00 0.159 HD +ATOM 1820 2HE2 GLN A 192 -15.886 9.018 74.822 1.00 0.00 0.159 HD +ATOM 1821 OE1 GLN A 192 -19.034 8.669 74.678 1.00 40.68 -0.274 OA +ATOM 1822 N ALA A 193 -18.708 2.907 73.301 1.00 43.81 -0.346 N +ATOM 1823 HN ALA A 193 -19.259 3.005 74.154 1.00 0.00 0.163 HD +ATOM 1824 CA ALA A 193 -19.155 1.967 72.287 1.00 46.29 0.172 C +ATOM 1825 C ALA A 193 -20.565 2.321 71.839 1.00 38.09 0.240 C +ATOM 1826 O ALA A 193 -21.434 2.620 72.664 1.00 36.20 -0.271 OA +ATOM 1827 CB ALA A 193 -19.121 0.528 72.810 1.00 40.37 0.042 C +ATOM 1828 N ALA A 194 -20.782 2.292 70.530 1.00 44.33 -0.346 N +ATOM 1829 HN ALA A 194 -20.000 2.152 69.891 1.00 0.00 0.163 HD +ATOM 1830 CA ALA A 194 -22.125 2.458 70.000 1.00 41.14 0.172 C +ATOM 1831 C ALA A 194 -22.943 1.195 70.236 1.00 38.55 0.240 C +ATOM 1832 O ALA A 194 -22.406 0.087 70.320 1.00 41.94 -0.271 OA +ATOM 1833 CB ALA A 194 -22.075 2.776 68.507 1.00 40.77 0.042 C +ATOM 1834 N GLY A 195 -24.253 1.373 70.352 1.00 45.01 -0.351 N +ATOM 1835 HN GLY A 195 -24.634 2.319 70.377 1.00 0.00 0.163 HD +ATOM 1836 CA GLY A 195 -25.147 0.237 70.444 1.00 44.26 0.225 C +ATOM 1837 C GLY A 195 -25.122 -0.599 69.179 1.00 40.94 0.236 C +ATOM 1838 O GLY A 195 -24.599 -0.208 68.136 1.00 36.27 -0.272 OA +ATOM 1839 N THR A 196 -25.699 -1.793 69.288 1.00 46.36 -0.344 N +ATOM 1840 HN THR A 196 -26.101 -2.078 70.181 1.00 0.00 0.163 HD +ATOM 1841 CA THR A 196 -25.764 -2.699 68.149 1.00 43.74 0.205 C +ATOM 1842 C THR A 196 -26.551 -2.055 67.016 1.00 40.82 0.243 C +ATOM 1843 O THR A 196 -27.701 -1.644 67.201 1.00 43.52 -0.271 OA +ATOM 1844 CB THR A 196 -26.405 -4.025 68.560 1.00 47.36 0.146 C +ATOM 1845 CG2 THR A 196 -25.527 -4.749 69.572 1.00 46.11 0.042 C +ATOM 1846 OG1 THR A 196 -27.692 -3.777 69.141 1.00 56.08 -0.393 OA +ATOM 1847 HG1 THR A 196 -28.090 -4.601 69.396 1.00 0.00 0.210 HD +ATOM 1848 N ASP A 197 -25.925 -1.955 65.848 1.00 38.21 -0.345 N +ATOM 1849 HN ASP A 197 -24.981 -2.329 65.750 1.00 0.00 0.163 HD +ATOM 1850 CA ASP A 197 -26.566 -1.321 64.709 1.00 43.61 0.186 C +ATOM 1851 C ASP A 197 -27.552 -2.279 64.046 1.00 46.04 0.241 C +ATOM 1852 O ASP A 197 -27.460 -3.503 64.178 1.00 42.52 -0.271 OA +ATOM 1853 CB ASP A 197 -25.524 -0.854 63.692 1.00 42.39 0.147 C +ATOM 1854 CG ASP A 197 -26.014 0.305 62.848 1.00 48.19 0.175 C +ATOM 1855 OD1 ASP A 197 -27.002 0.957 63.247 1.00 43.28 -0.648 OA +ATOM 1856 OD2 ASP A 197 -25.414 0.563 61.783 1.00 52.59 -0.648 OA +ATOM 1857 N THR A 198 -28.512 -1.699 63.331 1.00 44.88 -0.344 N +ATOM 1858 HN THR A 198 -28.551 -0.680 63.299 1.00 0.00 0.163 HD +ATOM 1859 CA THR A 198 -29.509 -2.459 62.593 1.00 42.59 0.205 C +ATOM 1860 C THR A 198 -29.668 -1.846 61.209 1.00 41.18 0.243 C +ATOM 1861 O THR A 198 -29.206 -0.734 60.940 1.00 40.92 -0.271 OA +ATOM 1862 CB THR A 198 -30.858 -2.491 63.326 1.00 45.63 0.146 C +ATOM 1863 CG2 THR A 198 -30.774 -3.365 64.569 1.00 43.99 0.042 C +ATOM 1864 OG1 THR A 198 -31.228 -1.160 63.707 1.00 45.23 -0.393 OA +ATOM 1865 HG1 THR A 198 -32.063 -1.180 64.160 1.00 0.00 0.210 HD +ATOM 1866 N THR A 199 -30.329 -2.587 60.324 1.00 36.67 -0.344 N +ATOM 1867 HN THR A 199 -30.672 -3.505 60.606 1.00 0.00 0.163 HD +ATOM 1868 CA THR A 199 -30.578 -2.128 58.965 1.00 31.64 0.205 C +ATOM 1869 C THR A 199 -31.920 -1.410 58.905 1.00 34.02 0.243 C +ATOM 1870 O THR A 199 -32.924 -1.914 59.418 1.00 36.37 -0.271 OA +ATOM 1871 CB THR A 199 -30.558 -3.300 57.984 1.00 36.63 0.146 C +ATOM 1872 CG2 THR A 199 -30.819 -2.814 56.567 1.00 31.73 0.042 C +ATOM 1873 OG1 THR A 199 -29.278 -3.942 58.029 1.00 37.11 -0.393 OA +ATOM 1874 HG1 THR A 199 -29.266 -4.670 57.419 1.00 0.00 0.210 HD +ATOM 1875 N ILE A 200 -31.932 -0.232 58.283 1.00 31.92 -0.346 N +ATOM 1876 HN ILE A 200 -31.061 0.128 57.894 1.00 0.00 0.163 HD +ATOM 1877 CA ILE A 200 -33.151 0.562 58.139 1.00 27.61 0.180 C +ATOM 1878 C ILE A 200 -33.977 -0.076 57.025 1.00 32.15 0.241 C +ATOM 1879 O ILE A 200 -33.675 0.083 55.841 1.00 31.56 -0.271 OA +ATOM 1880 CB ILE A 200 -32.842 2.032 57.850 1.00 30.51 0.013 C +ATOM 1881 CG1 ILE A 200 -31.835 2.567 58.872 1.00 34.99 0.002 C +ATOM 1882 CG2 ILE A 200 -34.118 2.857 57.879 1.00 32.45 0.012 C +ATOM 1883 CD1 ILE A 200 -30.780 3.474 58.276 1.00 32.07 0.005 C +ATOM 1884 N THR A 201 -35.034 -0.798 57.407 1.00 32.97 -0.344 N +ATOM 1885 HN THR A 201 -35.317 -0.796 58.387 1.00 0.00 0.163 HD +ATOM 1886 CA THR A 201 -35.790 -1.590 56.441 1.00 28.43 0.205 C +ATOM 1887 C THR A 201 -36.511 -0.710 55.427 1.00 28.55 0.243 C +ATOM 1888 O THR A 201 -36.513 -1.014 54.228 1.00 28.53 -0.271 OA +ATOM 1889 CB THR A 201 -36.789 -2.490 57.167 1.00 33.11 0.146 C +ATOM 1890 CG2 THR A 201 -37.429 -3.469 56.193 1.00 33.05 0.042 C +ATOM 1891 OG1 THR A 201 -36.114 -3.221 58.198 1.00 38.48 -0.393 OA +ATOM 1892 HG1 THR A 201 -36.735 -3.781 58.649 1.00 0.00 0.210 HD +ATOM 1893 N VAL A 202 -37.131 0.382 55.885 1.00 24.18 -0.346 N +ATOM 1894 HN VAL A 202 -37.073 0.622 56.875 1.00 0.00 0.163 HD +ATOM 1895 CA VAL A 202 -37.892 1.234 54.974 1.00 28.40 0.180 C +ATOM 1896 C VAL A 202 -36.980 1.869 53.933 1.00 29.17 0.241 C +ATOM 1897 O VAL A 202 -37.407 2.141 52.804 1.00 29.13 -0.271 OA +ATOM 1898 CB VAL A 202 -38.685 2.294 55.768 1.00 28.41 0.009 C +ATOM 1899 CG1 VAL A 202 -37.748 3.308 56.412 1.00 35.77 0.012 C +ATOM 1900 CG2 VAL A 202 -39.700 2.988 54.868 1.00 38.10 0.012 C +ATOM 1901 N ASN A 203 -35.710 2.096 54.280 1.00 25.67 -0.346 N +ATOM 1902 HN ASN A 203 -35.395 1.879 55.226 1.00 0.00 0.163 HD +ATOM 1903 CA ASN A 203 -34.771 2.653 53.312 1.00 26.61 0.185 C +ATOM 1904 C ASN A 203 -34.387 1.620 52.260 1.00 26.96 0.241 C +ATOM 1905 O ASN A 203 -34.223 1.958 51.082 1.00 25.39 -0.271 OA +ATOM 1906 CB ASN A 203 -33.528 3.176 54.031 1.00 26.02 0.137 C +ATOM 1907 CG ASN A 203 -33.765 4.514 54.705 1.00 29.29 0.217 C +ATOM 1908 ND2 ASN A 203 -32.683 5.179 55.095 1.00 27.49 -0.370 N +ATOM 1909 1HD2 ASN A 203 -32.842 6.079 55.548 1.00 0.00 0.159 HD +ATOM 1910 2HD2 ASN A 203 -31.738 4.822 54.955 1.00 0.00 0.159 HD +ATOM 1911 OD1 ASN A 203 -34.905 4.945 54.874 1.00 27.39 -0.274 OA +ATOM 1912 N VAL A 204 -34.234 0.358 52.667 1.00 26.81 -0.346 N +ATOM 1913 HN VAL A 204 -34.338 0.130 53.656 1.00 0.00 0.163 HD +ATOM 1914 CA VAL A 204 -33.919 -0.700 51.711 1.00 32.26 0.180 C +ATOM 1915 C VAL A 204 -35.050 -0.858 50.704 1.00 28.76 0.241 C +ATOM 1916 O VAL A 204 -34.814 -1.000 49.497 1.00 28.91 -0.271 OA +ATOM 1917 CB VAL A 204 -33.630 -2.020 52.449 1.00 31.36 0.009 C +ATOM 1918 CG1 VAL A 204 -33.509 -3.170 51.460 1.00 31.24 0.012 C +ATOM 1919 CG2 VAL A 204 -32.367 -1.898 53.286 1.00 25.72 0.012 C +ATOM 1920 N LEU A 205 -36.297 -0.825 51.181 1.00 23.97 -0.346 N +ATOM 1921 HN LEU A 205 -36.453 -0.701 52.181 1.00 0.00 0.163 HD +ATOM 1922 CA LEU A 205 -37.438 -0.964 50.284 1.00 29.72 0.177 C +ATOM 1923 C LEU A 205 -37.516 0.199 49.305 1.00 31.96 0.241 C +ATOM 1924 O LEU A 205 -37.776 -0.001 48.113 1.00 29.24 -0.271 OA +ATOM 1925 CB LEU A 205 -38.729 -1.076 51.094 1.00 28.11 0.038 C +ATOM 1926 CG LEU A 205 -38.919 -2.390 51.854 1.00 31.29 -0.020 C +ATOM 1927 CD1 LEU A 205 -40.077 -2.286 52.833 1.00 32.67 0.009 C +ATOM 1928 CD2 LEU A 205 -39.133 -3.543 50.885 1.00 33.54 0.009 C +ATOM 1929 N ALA A 206 -37.290 1.424 49.789 1.00 23.26 -0.346 N +ATOM 1930 HN ALA A 206 -37.127 1.553 50.788 1.00 0.00 0.163 HD +ATOM 1931 CA ALA A 206 -37.275 2.578 48.896 1.00 27.13 0.172 C +ATOM 1932 C ALA A 206 -36.149 2.464 47.877 1.00 28.64 0.240 C +ATOM 1933 O ALA A 206 -36.312 2.848 46.713 1.00 33.46 -0.271 OA +ATOM 1934 CB ALA A 206 -37.142 3.867 49.707 1.00 28.39 0.042 C +ATOM 1935 N TRP A 207 -34.999 1.934 48.298 1.00 27.23 -0.346 N +ATOM 1936 HN TRP A 207 -34.893 1.677 49.279 1.00 0.00 0.163 HD +ATOM 1937 CA TRP A 207 -33.892 1.717 47.375 1.00 29.46 0.181 C +ATOM 1938 C TRP A 207 -34.220 0.636 46.352 1.00 30.50 0.241 C +ATOM 1939 O TRP A 207 -33.796 0.732 45.194 1.00 27.71 -0.271 OA +ATOM 1940 CB TRP A 207 -32.633 1.360 48.164 1.00 25.98 0.075 C +ATOM 1941 CG TRP A 207 -31.469 0.929 47.333 1.00 33.09 -0.028 A +ATOM 1942 CD1 TRP A 207 -30.689 1.718 46.539 1.00 34.56 0.096 A +ATOM 1943 CD2 TRP A 207 -30.935 -0.396 47.230 1.00 35.87 -0.002 A +ATOM 1944 CE2 TRP A 207 -29.839 -0.337 46.348 1.00 37.47 0.042 A +ATOM 1945 CE3 TRP A 207 -31.282 -1.628 47.794 1.00 33.55 0.014 A +ATOM 1946 NE1 TRP A 207 -29.709 0.964 45.940 1.00 33.32 -0.365 N +ATOM 1947 HE1 TRP A 207 -29.000 1.316 45.296 1.00 0.00 0.165 HD +ATOM 1948 CZ2 TRP A 207 -29.087 -1.462 46.017 1.00 41.96 0.030 A +ATOM 1949 CZ3 TRP A 207 -30.535 -2.743 47.463 1.00 41.15 0.001 A +ATOM 1950 CH2 TRP A 207 -29.449 -2.652 46.585 1.00 41.36 0.002 A +ATOM 1951 N LEU A 208 -34.974 -0.391 46.754 1.00 24.10 -0.346 N +ATOM 1952 HN LEU A 208 -35.233 -0.476 47.737 1.00 0.00 0.163 HD +ATOM 1953 CA LEU A 208 -35.429 -1.392 45.794 1.00 32.57 0.177 C +ATOM 1954 C LEU A 208 -36.387 -0.781 44.781 1.00 30.65 0.241 C +ATOM 1955 O LEU A 208 -36.365 -1.144 43.599 1.00 34.37 -0.271 OA +ATOM 1956 CB LEU A 208 -36.095 -2.559 46.522 1.00 30.22 0.038 C +ATOM 1957 CG LEU A 208 -35.190 -3.465 47.360 1.00 29.05 -0.020 C +ATOM 1958 CD1 LEU A 208 -35.997 -4.582 48.006 1.00 32.79 0.009 C +ATOM 1959 CD2 LEU A 208 -34.061 -4.033 46.516 1.00 31.48 0.009 C +ATOM 1960 N TYR A 209 -37.239 0.145 45.226 1.00 29.01 -0.346 N +ATOM 1961 HN TYR A 209 -37.274 0.365 46.221 1.00 0.00 0.163 HD +ATOM 1962 CA TYR A 209 -38.120 0.845 44.298 1.00 31.92 0.180 C +ATOM 1963 C TYR A 209 -37.319 1.679 43.309 1.00 35.92 0.241 C +ATOM 1964 O TYR A 209 -37.668 1.753 42.125 1.00 32.34 -0.271 OA +ATOM 1965 CB TYR A 209 -39.105 1.723 45.069 1.00 31.20 0.073 C +ATOM 1966 CG TYR A 209 -40.334 0.986 45.545 1.00 37.03 -0.056 A +ATOM 1967 CD1 TYR A 209 -41.285 0.526 44.643 1.00 40.06 0.010 A +ATOM 1968 CD2 TYR A 209 -40.544 0.748 46.896 1.00 28.79 0.010 A +ATOM 1969 CE1 TYR A 209 -42.410 -0.151 45.073 1.00 40.63 0.037 A +ATOM 1970 CE2 TYR A 209 -41.666 0.072 47.337 1.00 34.89 0.037 A +ATOM 1971 CZ TYR A 209 -42.595 -0.374 46.421 1.00 39.51 0.065 A +ATOM 1972 OH TYR A 209 -43.714 -1.047 46.852 1.00 40.05 -0.361 OA +ATOM 1973 HH TYR A 209 -43.841 -1.201 47.781 1.00 0.00 0.217 HD +ATOM 1974 N ALA A 210 -36.238 2.311 43.774 1.00 32.32 -0.346 N +ATOM 1975 HN ALA A 210 -36.015 2.268 44.768 1.00 0.00 0.163 HD +ATOM 1976 CA ALA A 210 -35.374 3.062 42.869 1.00 33.39 0.172 C +ATOM 1977 C ALA A 210 -34.761 2.159 41.808 1.00 33.08 0.240 C +ATOM 1978 O ALA A 210 -34.537 2.597 40.674 1.00 31.00 -0.271 OA +ATOM 1979 CB ALA A 210 -34.276 3.774 43.659 1.00 38.63 0.042 C +ATOM 1980 N ALA A 211 -34.482 0.901 42.156 1.00 29.95 -0.346 N +ATOM 1981 HN ALA A 211 -34.635 0.596 43.117 1.00 0.00 0.163 HD +ATOM 1982 CA ALA A 211 -33.960 -0.041 41.173 1.00 38.71 0.172 C +ATOM 1983 C ALA A 211 -34.998 -0.357 40.104 1.00 38.27 0.240 C +ATOM 1984 O ALA A 211 -34.666 -0.448 38.917 1.00 39.96 -0.271 OA +ATOM 1985 CB ALA A 211 -33.500 -1.321 41.868 1.00 37.27 0.042 C +ATOM 1986 N VAL A 212 -36.259 -0.530 40.507 1.00 37.46 -0.346 N +ATOM 1987 HN VAL A 212 -36.488 -0.458 41.498 1.00 0.00 0.163 HD +ATOM 1988 CA VAL A 212 -37.313 -0.821 39.540 1.00 41.82 0.180 C +ATOM 1989 C VAL A 212 -37.554 0.381 38.635 1.00 43.94 0.241 C +ATOM 1990 O VAL A 212 -37.760 0.232 37.424 1.00 43.74 -0.271 OA +ATOM 1991 CB VAL A 212 -38.600 -1.251 40.268 1.00 36.71 0.009 C +ATOM 1992 CG1 VAL A 212 -39.731 -1.458 39.272 1.00 41.97 0.012 C +ATOM 1993 CG2 VAL A 212 -38.353 -2.518 41.074 1.00 31.36 0.012 C +ATOM 1994 N ILE A 213 -37.528 1.589 39.205 1.00 38.15 -0.346 N +ATOM 1995 HN ILE A 213 -37.405 1.668 40.214 1.00 0.00 0.163 HD +ATOM 1996 CA ILE A 213 -37.674 2.796 38.398 1.00 39.62 0.180 C +ATOM 1997 C ILE A 213 -36.529 2.914 37.400 1.00 44.72 0.241 C +ATOM 1998 O ILE A 213 -36.690 3.498 36.321 1.00 51.05 -0.271 OA +ATOM 1999 CB ILE A 213 -37.774 4.035 39.312 1.00 44.90 0.013 C +ATOM 2000 CG1 ILE A 213 -38.956 3.896 40.273 1.00 44.60 0.002 C +ATOM 2001 CG2 ILE A 213 -37.941 5.297 38.496 1.00 50.73 0.012 C +ATOM 2002 CD1 ILE A 213 -39.157 5.095 41.178 1.00 40.25 0.005 C +ATOM 2003 N ASN A 214 -35.368 2.346 37.726 1.00 41.68 -0.346 N +ATOM 2004 HN ASN A 214 -35.284 1.890 38.635 1.00 0.00 0.163 HD +ATOM 2005 CA ASN A 214 -34.215 2.350 36.837 1.00 47.03 0.185 C +ATOM 2006 C ASN A 214 -34.057 1.051 36.055 1.00 49.42 0.241 C +ATOM 2007 O ASN A 214 -33.087 0.912 35.304 1.00 48.17 -0.271 OA +ATOM 2008 CB ASN A 214 -32.938 2.638 37.632 1.00 43.76 0.137 C +ATOM 2009 CG ASN A 214 -32.853 4.080 38.091 1.00 45.61 0.217 C +ATOM 2010 ND2 ASN A 214 -33.549 4.398 39.177 1.00 48.13 -0.370 N +ATOM 2011 1HD2 ASN A 214 -33.492 5.368 39.486 1.00 0.00 0.159 HD +ATOM 2012 2HD2 ASN A 214 -34.112 3.718 39.688 1.00 0.00 0.159 HD +ATOM 2013 OD1 ASN A 214 -32.174 4.900 37.474 1.00 45.51 -0.274 OA +ATOM 2014 N GLY A 215 -34.972 0.100 36.216 1.00 55.59 -0.351 N +ATOM 2015 HN GLY A 215 -35.667 0.194 36.957 1.00 0.00 0.163 HD +ATOM 2016 CA GLY A 215 -34.999 -1.067 35.358 1.00 50.39 0.225 C +ATOM 2017 C GLY A 215 -34.272 -2.290 35.860 1.00 50.72 0.236 C +ATOM 2018 O GLY A 215 -34.046 -3.218 35.076 1.00 55.25 -0.272 OA +ATOM 2019 N ASP A 216 -33.883 -2.324 37.129 1.00 46.39 -0.346 N +ATOM 2020 HN ASP A 216 -33.945 -1.475 37.691 1.00 0.00 0.163 HD +ATOM 2021 CA ASP A 216 -33.368 -3.546 37.740 1.00 49.22 0.186 C +ATOM 2022 C ASP A 216 -34.560 -4.257 38.365 1.00 52.58 0.241 C +ATOM 2023 O ASP A 216 -35.069 -3.844 39.409 1.00 51.20 -0.271 OA +ATOM 2024 CB ASP A 216 -32.280 -3.237 38.763 1.00 53.88 0.147 C +ATOM 2025 CG ASP A 216 -30.882 -3.415 38.197 1.00 60.12 0.175 C +ATOM 2026 OD1 ASP A 216 -30.761 -3.766 37.004 1.00 63.39 -0.648 OA +ATOM 2027 OD2 ASP A 216 -29.903 -3.208 38.946 1.00 58.15 -0.648 OA +ATOM 2028 N ARG A 217 -35.026 -5.318 37.708 1.00 48.18 -0.346 N +ATOM 2029 HN ARG A 217 -34.514 -5.658 36.894 1.00 0.00 0.163 HD +ATOM 2030 CA ARG A 217 -36.243 -6.010 38.114 1.00 43.89 0.176 C +ATOM 2031 C ARG A 217 -36.021 -7.493 38.384 1.00 40.80 0.241 C +ATOM 2032 O ARG A 217 -36.995 -8.217 38.627 1.00 41.42 -0.271 OA +ATOM 2033 CB ARG A 217 -37.330 -5.845 37.047 1.00 40.56 0.036 C +ATOM 2034 CG ARG A 217 -37.746 -4.408 36.784 1.00 43.72 0.023 C +ATOM 2035 CD ARG A 217 -38.826 -4.346 35.714 1.00 42.23 0.138 C +ATOM 2036 NE ARG A 217 -40.026 -5.077 36.111 1.00 41.31 -0.227 N +ATOM 2037 HE ARG A 217 -40.018 -6.093 36.020 1.00 0.00 0.177 HD +ATOM 2038 CZ ARG A 217 -41.128 -4.504 36.583 1.00 43.64 0.665 C +ATOM 2039 NH1 ARG A 217 -41.187 -3.186 36.717 1.00 45.45 -0.235 N +ATOM 2040 1HH1 ARG A 217 -42.033 -2.746 37.079 1.00 0.00 0.174 HD +ATOM 2041 2HH1 ARG A 217 -40.384 -2.614 36.457 1.00 0.00 0.174 HD +ATOM 2042 NH2 ARG A 217 -42.172 -5.248 36.921 1.00 41.32 -0.235 N +ATOM 2043 1HH2 ARG A 217 -43.018 -4.808 37.283 1.00 0.00 0.174 HD +ATOM 2044 2HH2 ARG A 217 -42.127 -6.262 36.818 1.00 0.00 0.174 HD +ATOM 2045 N TRP A 218 -34.774 -7.966 38.352 1.00 36.38 -0.346 N +ATOM 2046 HN TRP A 218 -33.991 -7.324 38.228 1.00 0.00 0.163 HD +ATOM 2047 CA TRP A 218 -34.523 -9.396 38.493 1.00 41.06 0.181 C +ATOM 2048 C TRP A 218 -34.910 -9.926 39.868 1.00 44.70 0.241 C +ATOM 2049 O TRP A 218 -35.140 -11.132 40.009 1.00 40.75 -0.271 OA +ATOM 2050 CB TRP A 218 -33.050 -9.704 38.209 1.00 43.64 0.075 C +ATOM 2051 CG TRP A 218 -32.097 -9.108 39.201 1.00 47.86 -0.028 A +ATOM 2052 CD1 TRP A 218 -31.435 -7.920 39.089 1.00 43.05 0.096 A +ATOM 2053 CD2 TRP A 218 -31.690 -9.678 40.451 1.00 43.40 -0.002 A +ATOM 2054 CE2 TRP A 218 -30.784 -8.778 41.045 1.00 44.70 0.042 A +ATOM 2055 CE3 TRP A 218 -32.005 -10.862 41.127 1.00 46.52 0.014 A +ATOM 2056 NE1 TRP A 218 -30.645 -7.713 40.194 1.00 48.32 -0.365 N +ATOM 2057 HE1 TRP A 218 -30.052 -6.899 40.355 1.00 0.00 0.165 HD +ATOM 2058 CZ2 TRP A 218 -30.191 -9.023 42.281 1.00 49.87 0.030 A +ATOM 2059 CZ3 TRP A 218 -31.417 -11.102 42.354 1.00 49.27 0.001 A +ATOM 2060 CH2 TRP A 218 -30.519 -10.187 42.918 1.00 54.03 0.002 A +ATOM 2061 N PHE A 219 -34.991 -9.062 40.879 1.00 39.97 -0.346 N +ATOM 2062 HN PHE A 219 -34.814 -8.073 40.702 1.00 0.00 0.163 HD +ATOM 2063 CA PHE A 219 -35.325 -9.491 42.230 1.00 38.29 0.180 C +ATOM 2064 C PHE A 219 -36.825 -9.558 42.488 1.00 34.23 0.241 C +ATOM 2065 O PHE A 219 -37.232 -10.074 43.535 1.00 41.36 -0.271 OA +ATOM 2066 CB PHE A 219 -34.677 -8.557 43.261 1.00 35.64 0.073 C +ATOM 2067 CG PHE A 219 -34.950 -7.100 43.018 1.00 34.08 -0.056 A +ATOM 2068 CD1 PHE A 219 -36.108 -6.507 43.495 1.00 33.57 0.007 A +ATOM 2069 CD2 PHE A 219 -34.047 -6.322 42.315 1.00 35.98 0.007 A +ATOM 2070 CE1 PHE A 219 -36.361 -5.167 43.273 1.00 36.10 0.001 A +ATOM 2071 CE2 PHE A 219 -34.292 -4.982 42.092 1.00 41.53 0.001 A +ATOM 2072 CZ PHE A 219 -35.452 -4.404 42.569 1.00 38.37 0.000 A +ATOM 2073 N LEU A 220 -37.649 -9.047 41.578 1.00 34.04 -0.346 N +ATOM 2074 HN LEU A 220 -37.265 -8.611 40.740 1.00 0.00 0.163 HD +ATOM 2075 CA LEU A 220 -39.092 -9.102 41.762 1.00 34.67 0.177 C +ATOM 2076 C LEU A 220 -39.590 -10.539 41.667 1.00 42.10 0.241 C +ATOM 2077 O LEU A 220 -38.970 -11.395 41.030 1.00 37.53 -0.271 OA +ATOM 2078 CB LEU A 220 -39.798 -8.235 40.721 1.00 37.23 0.038 C +ATOM 2079 CG LEU A 220 -39.579 -6.726 40.837 1.00 34.79 -0.020 C +ATOM 2080 CD1 LEU A 220 -40.188 -6.006 39.647 1.00 39.78 0.009 C +ATOM 2081 CD2 LEU A 220 -40.157 -6.201 42.141 1.00 38.56 0.009 C +ATOM 2082 N ASN A 221 -40.724 -10.802 42.312 1.00 41.05 -0.346 N +ATOM 2083 HN ASN A 221 -41.199 -10.052 42.814 1.00 0.00 0.163 HD +ATOM 2084 CA ASN A 221 -41.298 -12.138 42.314 1.00 49.57 0.185 C +ATOM 2085 C ASN A 221 -42.815 -12.038 42.374 1.00 50.99 0.241 C +ATOM 2086 O ASN A 221 -43.382 -10.984 42.674 1.00 47.82 -0.271 OA +ATOM 2087 CB ASN A 221 -40.759 -12.979 43.479 1.00 46.91 0.137 C +ATOM 2088 CG ASN A 221 -40.893 -12.282 44.824 1.00 52.27 0.217 C +ATOM 2089 ND2 ASN A 221 -39.917 -12.500 45.697 1.00 52.91 -0.370 N +ATOM 2090 1HD2 ASN A 221 -40.007 -12.033 46.599 1.00 0.00 0.159 HD +ATOM 2091 2HD2 ASN A 221 -39.116 -13.095 45.486 1.00 0.00 0.159 HD +ATOM 2092 OD1 ASN A 221 -41.860 -11.564 45.079 1.00 56.83 -0.274 OA +ATOM 2093 N ARG A 222 -43.469 -13.164 42.084 1.00 55.29 -0.346 N +ATOM 2094 HN ARG A 222 -42.942 -13.992 41.808 1.00 0.00 0.163 HD +ATOM 2095 CA ARG A 222 -44.923 -13.232 42.155 1.00 55.44 0.176 C +ATOM 2096 C ARG A 222 -45.430 -13.272 43.590 1.00 58.31 0.241 C +ATOM 2097 O ARG A 222 -46.604 -12.969 43.826 1.00 60.54 -0.271 OA +ATOM 2098 CB ARG A 222 -45.425 -14.465 41.404 1.00 59.44 0.036 C +ATOM 2099 CG ARG A 222 -44.941 -15.773 42.010 1.00 64.22 0.023 C +ATOM 2100 CD ARG A 222 -45.221 -16.957 41.105 1.00 63.67 0.138 C +ATOM 2101 NE ARG A 222 -44.228 -18.013 41.282 1.00 64.36 -0.227 N +ATOM 2102 HE ARG A 222 -43.437 -18.037 40.638 1.00 0.00 0.177 HD +ATOM 2103 CZ ARG A 222 -44.288 -18.945 42.228 1.00 68.65 0.665 C +ATOM 2104 NH1 ARG A 222 -45.296 -18.954 43.090 1.00 70.23 -0.235 N +ATOM 2105 1HH1 ARG A 222 -45.342 -19.669 43.816 1.00 0.00 0.174 HD +ATOM 2106 2HH1 ARG A 222 -46.027 -18.246 43.023 1.00 0.00 0.174 HD +ATOM 2107 NH2 ARG A 222 -43.338 -19.866 42.315 1.00 66.89 -0.235 N +ATOM 2108 1HH2 ARG A 222 -43.384 -20.581 43.041 1.00 0.00 0.174 HD +ATOM 2109 2HH2 ARG A 222 -42.563 -19.859 41.652 1.00 0.00 0.174 HD +ATOM 2110 N PHE A 223 -44.577 -13.636 44.545 1.00 55.79 -0.346 N +ATOM 2111 HN PHE A 223 -43.601 -13.807 44.305 1.00 0.00 0.163 HD +ATOM 2112 CA PHE A 223 -45.010 -13.794 45.923 1.00 57.06 0.180 C +ATOM 2113 C PHE A 223 -45.434 -12.459 46.527 1.00 54.34 0.241 C +ATOM 2114 O PHE A 223 -45.062 -11.379 46.060 1.00 54.33 -0.271 OA +ATOM 2115 CB PHE A 223 -43.897 -14.390 46.789 1.00 54.56 0.073 C +ATOM 2116 CG PHE A 223 -43.201 -15.568 46.175 1.00 61.54 -0.056 A +ATOM 2117 CD1 PHE A 223 -43.776 -16.828 46.208 1.00 67.27 0.007 A +ATOM 2118 CD2 PHE A 223 -41.957 -15.421 45.587 1.00 62.61 0.007 A +ATOM 2119 CE1 PHE A 223 -43.128 -17.914 45.650 1.00 63.74 0.001 A +ATOM 2120 CE2 PHE A 223 -41.305 -16.501 45.027 1.00 67.45 0.001 A +ATOM 2121 CZ PHE A 223 -41.891 -17.750 45.059 1.00 63.58 0.000 A +ATOM 2122 N THR A 224 -46.234 -12.555 47.585 1.00 53.15 -0.344 N +ATOM 2123 HN THR A 224 -46.689 -13.450 47.766 1.00 0.00 0.163 HD +ATOM 2124 CA THR A 224 -46.495 -11.455 48.498 1.00 54.87 0.205 C +ATOM 2125 C THR A 224 -46.470 -12.025 49.909 1.00 57.84 0.243 C +ATOM 2126 O THR A 224 -46.354 -13.238 50.107 1.00 57.11 -0.271 OA +ATOM 2127 CB THR A 224 -47.827 -10.759 48.195 1.00 58.32 0.146 C +ATOM 2128 CG2 THR A 224 -48.995 -11.653 48.574 1.00 59.49 0.042 C +ATOM 2129 OG1 THR A 224 -47.906 -9.536 48.940 1.00 55.79 -0.393 OA +ATOM 2130 HG1 THR A 224 -48.731 -9.105 48.752 1.00 0.00 0.210 HD +ATOM 2131 N THR A 225 -46.568 -11.146 50.901 1.00 54.55 -0.344 N +ATOM 2132 HN THR A 225 -46.699 -10.157 50.688 1.00 0.00 0.163 HD +ATOM 2133 CA THR A 225 -46.491 -11.579 52.287 1.00 52.09 0.205 C +ATOM 2134 C THR A 225 -47.276 -10.614 53.160 1.00 52.22 0.243 C +ATOM 2135 O THR A 225 -47.565 -9.480 52.767 1.00 51.74 -0.271 OA +ATOM 2136 CB THR A 225 -45.037 -11.668 52.770 1.00 52.66 0.146 C +ATOM 2137 CG2 THR A 225 -44.384 -10.294 52.751 1.00 48.22 0.042 C +ATOM 2138 OG1 THR A 225 -45.002 -12.191 54.104 1.00 57.56 -0.393 OA +ATOM 2139 HG1 THR A 225 -44.102 -12.246 54.403 1.00 0.00 0.210 HD +ATOM 2140 N THR A 226 -47.630 -11.086 54.350 1.00 48.89 -0.344 N +ATOM 2141 HN THR A 226 -47.485 -12.073 54.563 1.00 0.00 0.163 HD +ATOM 2142 CA THR A 226 -48.220 -10.218 55.351 1.00 49.18 0.205 C +ATOM 2143 C THR A 226 -47.131 -9.399 56.035 1.00 47.11 0.243 C +ATOM 2144 O THR A 226 -45.949 -9.757 56.027 1.00 49.91 -0.271 OA +ATOM 2145 CB THR A 226 -48.995 -11.034 56.387 1.00 52.38 0.146 C +ATOM 2146 CG2 THR A 226 -50.048 -11.896 55.705 1.00 52.43 0.042 C +ATOM 2147 OG1 THR A 226 -48.089 -11.880 57.105 1.00 53.45 -0.393 OA +ATOM 2148 HG1 THR A 226 -48.570 -12.387 57.748 1.00 0.00 0.210 HD +ATOM 2149 N LEU A 227 -47.543 -8.276 56.626 1.00 44.28 -0.346 N +ATOM 2150 HN LEU A 227 -48.530 -8.019 56.599 1.00 0.00 0.163 HD +ATOM 2151 CA LEU A 227 -46.585 -7.415 57.310 1.00 46.11 0.177 C +ATOM 2152 C LEU A 227 -45.959 -8.114 58.510 1.00 48.45 0.241 C +ATOM 2153 O LEU A 227 -44.781 -7.892 58.814 1.00 47.38 -0.271 OA +ATOM 2154 CB LEU A 227 -47.265 -6.116 57.743 1.00 48.35 0.038 C +ATOM 2155 CG LEU A 227 -46.384 -5.090 58.458 1.00 53.13 -0.020 C +ATOM 2156 CD1 LEU A 227 -45.169 -4.753 57.611 1.00 51.92 0.009 C +ATOM 2157 CD2 LEU A 227 -47.177 -3.836 58.787 1.00 50.91 0.009 C +ATOM 2158 N ASN A 228 -46.723 -8.969 59.194 1.00 48.68 -0.346 N +ATOM 2159 HN ASN A 228 -47.679 -9.151 58.888 1.00 0.00 0.163 HD +ATOM 2160 CA ASN A 228 -46.198 -9.644 60.376 1.00 50.79 0.185 C +ATOM 2161 C ASN A 228 -45.209 -10.740 60.000 1.00 49.09 0.241 C +ATOM 2162 O ASN A 228 -44.176 -10.902 60.659 1.00 51.86 -0.271 OA +ATOM 2163 CB ASN A 228 -47.347 -10.217 61.205 1.00 52.01 0.137 C +ATOM 2164 CG ASN A 228 -48.001 -9.176 62.089 1.00 58.59 0.217 C +ATOM 2165 ND2 ASN A 228 -47.236 -8.631 63.028 1.00 64.61 -0.370 N +ATOM 2166 1HD2 ASN A 228 -47.677 -7.930 63.623 1.00 0.00 0.159 HD +ATOM 2167 2HD2 ASN A 228 -46.259 -8.892 63.160 1.00 0.00 0.159 HD +ATOM 2168 OD1 ASN A 228 -49.181 -8.861 61.930 1.00 63.31 -0.274 OA +ATOM 2169 N ASP A 229 -45.508 -11.504 58.946 1.00 51.91 -0.345 N +ATOM 2170 HN ASP A 229 -46.380 -11.354 58.438 1.00 0.00 0.163 HD +ATOM 2171 CA ASP A 229 -44.587 -12.553 58.521 1.00 54.27 0.186 C +ATOM 2172 C ASP A 229 -43.296 -11.972 57.962 1.00 50.38 0.241 C +ATOM 2173 O ASP A 229 -42.241 -12.611 58.052 1.00 48.25 -0.271 OA +ATOM 2174 CB ASP A 229 -45.259 -13.460 57.491 1.00 52.46 0.147 C +ATOM 2175 CG ASP A 229 -46.033 -14.594 58.134 1.00 63.17 0.175 C +ATOM 2176 OD1 ASP A 229 -47.225 -14.397 58.453 1.00 67.92 -0.648 OA +ATOM 2177 OD2 ASP A 229 -45.449 -15.682 58.325 1.00 71.71 -0.648 OA +ATOM 2178 N PHE A 230 -43.355 -10.770 57.384 1.00 45.69 -0.346 N +ATOM 2179 HN PHE A 230 -44.258 -10.319 57.237 1.00 0.00 0.163 HD +ATOM 2180 CA PHE A 230 -42.130 -10.100 56.962 1.00 47.77 0.180 C +ATOM 2181 C PHE A 230 -41.323 -9.630 58.165 1.00 44.56 0.241 C +ATOM 2182 O PHE A 230 -40.097 -9.789 58.198 1.00 47.05 -0.271 OA +ATOM 2183 CB PHE A 230 -42.459 -8.923 56.045 1.00 44.71 0.073 C +ATOM 2184 CG PHE A 230 -41.269 -8.073 55.703 1.00 46.06 -0.056 A +ATOM 2185 CD1 PHE A 230 -40.377 -8.472 54.721 1.00 39.89 0.007 A +ATOM 2186 CD2 PHE A 230 -41.040 -6.877 56.364 1.00 46.70 0.007 A +ATOM 2187 CE1 PHE A 230 -39.280 -7.695 54.405 1.00 44.09 0.001 A +ATOM 2188 CE2 PHE A 230 -39.944 -6.095 56.053 1.00 43.17 0.001 A +ATOM 2189 CZ PHE A 230 -39.063 -6.504 55.072 1.00 46.40 0.000 A +ATOM 2190 N ASN A 231 -41.994 -9.049 59.163 1.00 47.09 -0.346 N +ATOM 2191 HN ASN A 231 -43.004 -8.926 59.085 1.00 0.00 0.163 HD +ATOM 2192 CA ASN A 231 -41.304 -8.588 60.362 1.00 48.54 0.185 C +ATOM 2193 C ASN A 231 -40.692 -9.738 61.151 1.00 46.93 0.241 C +ATOM 2194 O ASN A 231 -39.744 -9.517 61.913 1.00 51.54 -0.271 OA +ATOM 2195 CB ASN A 231 -42.265 -7.794 61.248 1.00 44.45 0.137 C +ATOM 2196 CG ASN A 231 -42.510 -6.390 60.729 1.00 46.53 0.217 C +ATOM 2197 ND2 ASN A 231 -43.741 -5.912 60.872 1.00 48.18 -0.370 N +ATOM 2198 1HD2 ASN A 231 -43.906 -4.968 60.523 1.00 0.00 0.159 HD +ATOM 2199 2HD2 ASN A 231 -44.492 -6.449 61.306 1.00 0.00 0.159 HD +ATOM 2200 OD1 ASN A 231 -41.604 -5.743 60.206 1.00 49.46 -0.274 OA +ATOM 2201 N LEU A 232 -41.212 -10.957 60.990 1.00 49.26 -0.346 N +ATOM 2202 HN LEU A 232 -42.044 -11.082 60.413 1.00 0.00 0.163 HD +ATOM 2203 CA LEU A 232 -40.596 -12.111 61.635 1.00 48.59 0.177 C +ATOM 2204 C LEU A 232 -39.250 -12.439 61.000 1.00 50.95 0.241 C +ATOM 2205 O LEU A 232 -38.296 -12.796 61.702 1.00 54.89 -0.271 OA +ATOM 2206 CB LEU A 232 -41.534 -13.316 61.561 1.00 51.33 0.038 C +ATOM 2207 CG LEU A 232 -42.569 -13.440 62.681 1.00 54.42 -0.020 C +ATOM 2208 CD1 LEU A 232 -43.539 -14.575 62.391 1.00 56.04 0.009 C +ATOM 2209 CD2 LEU A 232 -41.886 -13.644 64.024 1.00 48.57 0.009 C +ATOM 2210 N VAL A 233 -39.155 -12.323 59.675 1.00 46.36 -0.346 N +ATOM 2211 HN VAL A 233 -39.978 -12.069 59.129 1.00 0.00 0.163 HD +ATOM 2212 CA VAL A 233 -37.884 -12.556 59.000 1.00 48.55 0.180 C +ATOM 2213 C VAL A 233 -36.952 -11.363 59.172 1.00 48.47 0.241 C +ATOM 2214 O VAL A 233 -35.728 -11.531 59.241 1.00 48.19 -0.271 OA +ATOM 2215 CB VAL A 233 -38.124 -12.874 57.514 1.00 51.22 0.009 C +ATOM 2216 CG1 VAL A 233 -36.822 -13.265 56.829 1.00 47.79 0.012 C +ATOM 2217 CG2 VAL A 233 -39.160 -13.978 57.369 1.00 51.84 0.012 C +ATOM 2218 N ALA A 234 -37.504 -10.150 59.254 1.00 49.48 -0.346 N +ATOM 2219 HN ALA A 234 -38.517 -10.051 59.192 1.00 0.00 0.163 HD +ATOM 2220 CA ALA A 234 -36.671 -8.965 59.431 1.00 48.29 0.172 C +ATOM 2221 C ALA A 234 -35.930 -9.001 60.762 1.00 47.50 0.240 C +ATOM 2222 O ALA A 234 -34.783 -8.550 60.855 1.00 46.36 -0.271 OA +ATOM 2223 CB ALA A 234 -37.527 -7.703 59.325 1.00 46.76 0.042 C +ATOM 2224 N MET A 235 -36.570 -9.538 61.803 1.00 52.01 -0.346 N +ATOM 2225 HN MET A 235 -37.519 -9.892 61.686 1.00 0.00 0.163 HD +ATOM 2226 CA MET A 235 -35.920 -9.622 63.107 1.00 49.80 0.177 C +ATOM 2227 C MET A 235 -34.730 -10.573 63.074 1.00 52.99 0.241 C +ATOM 2228 O MET A 235 -33.694 -10.302 63.693 1.00 54.42 -0.271 OA +ATOM 2229 CB MET A 235 -36.929 -10.066 64.166 1.00 54.15 0.045 C +ATOM 2230 CG MET A 235 -37.574 -8.925 64.933 1.00 63.16 0.076 C +ATOM 2231 SD MET A 235 -38.598 -9.508 66.297 1.00 89.99 -0.173 SA +ATOM 2232 CE MET A 235 -40.140 -8.666 65.948 1.00 71.61 0.089 C +ATOM 2233 N LYS A 236 -34.859 -11.692 62.356 1.00 53.54 -0.346 N +ATOM 2234 HN LYS A 236 -35.720 -11.863 61.837 1.00 0.00 0.163 HD +ATOM 2235 CA LYS A 236 -33.779 -12.672 62.308 1.00 53.13 0.176 C +ATOM 2236 C LYS A 236 -32.551 -12.125 61.592 1.00 54.14 0.241 C +ATOM 2237 O LYS A 236 -31.424 -12.529 61.901 1.00 56.65 -0.271 OA +ATOM 2238 CB LYS A 236 -34.269 -13.953 61.630 1.00 52.75 0.035 C +ATOM 2239 CG LYS A 236 -33.263 -15.094 61.637 1.00 64.88 0.004 C +ATOM 2240 CD LYS A 236 -33.221 -15.801 60.290 1.00 62.89 0.027 C +ATOM 2241 CE LYS A 236 -32.220 -16.946 60.292 1.00 68.06 0.229 C +ATOM 2242 NZ LYS A 236 -30.849 -16.487 59.928 1.00 65.62 -0.079 N +ATOM 2243 HZ1 LYS A 236 -30.178 -17.255 59.929 1.00 0.00 0.274 HD +ATOM 2244 HZ2 LYS A 236 -30.541 -15.724 60.531 1.00 0.00 0.274 HD +ATOM 2245 HZ3 LYS A 236 -30.848 -15.995 59.034 1.00 0.00 0.274 HD +ATOM 2246 N TYR A 237 -32.741 -11.203 60.647 1.00 51.24 -0.346 N +ATOM 2247 HN TYR A 237 -33.691 -10.883 60.458 1.00 0.00 0.163 HD +ATOM 2248 CA TYR A 237 -31.645 -10.635 59.874 1.00 48.39 0.180 C +ATOM 2249 C TYR A 237 -31.255 -9.239 60.351 1.00 44.17 0.241 C +ATOM 2250 O TYR A 237 -30.624 -8.489 59.598 1.00 45.24 -0.271 OA +ATOM 2251 CB TYR A 237 -32.009 -10.612 58.390 1.00 46.67 0.073 C +ATOM 2252 CG TYR A 237 -32.051 -11.987 57.763 1.00 47.83 -0.056 A +ATOM 2253 CD1 TYR A 237 -33.224 -12.730 57.749 1.00 49.26 0.010 A +ATOM 2254 CD2 TYR A 237 -30.915 -12.545 57.192 1.00 45.38 0.010 A +ATOM 2255 CE1 TYR A 237 -33.266 -13.989 57.180 1.00 52.16 0.037 A +ATOM 2256 CE2 TYR A 237 -30.947 -13.803 56.621 1.00 54.25 0.037 A +ATOM 2257 CZ TYR A 237 -32.125 -14.520 56.618 1.00 53.00 0.065 A +ATOM 2258 OH TYR A 237 -32.160 -15.773 56.050 1.00 56.94 -0.361 OA +ATOM 2259 HH TYR A 237 -31.374 -16.139 55.663 1.00 0.00 0.217 HD +ATOM 2260 N ASN A 238 -31.619 -8.883 61.584 1.00 41.18 -0.346 N +ATOM 2261 HN ASN A 238 -32.188 -9.531 62.128 1.00 0.00 0.163 HD +ATOM 2262 CA ASN A 238 -31.241 -7.606 62.194 1.00 43.30 0.185 C +ATOM 2263 C ASN A 238 -31.773 -6.418 61.394 1.00 42.30 0.241 C +ATOM 2264 O ASN A 238 -31.087 -5.410 61.210 1.00 39.45 -0.271 OA +ATOM 2265 CB ASN A 238 -29.725 -7.504 62.376 1.00 43.06 0.137 C +ATOM 2266 CG ASN A 238 -29.339 -6.684 63.590 1.00 55.19 0.217 C +ATOM 2267 ND2 ASN A 238 -28.160 -6.076 63.544 1.00 54.07 -0.370 N +ATOM 2268 1HD2 ASN A 238 -27.900 -5.524 64.361 1.00 0.00 0.159 HD +ATOM 2269 2HD2 ASN A 238 -27.535 -6.147 62.741 1.00 0.00 0.159 HD +ATOM 2270 OD1 ASN A 238 -30.093 -6.598 64.559 1.00 61.37 -0.274 OA +ATOM 2271 N TYR A 239 -33.005 -6.538 60.914 1.00 38.35 -0.346 N +ATOM 2272 HN TYR A 239 -33.485 -7.433 61.012 1.00 0.00 0.163 HD +ATOM 2273 CA TYR A 239 -33.696 -5.443 60.254 1.00 38.80 0.180 C +ATOM 2274 C TYR A 239 -34.716 -4.833 61.206 1.00 37.82 0.241 C +ATOM 2275 O TYR A 239 -35.311 -5.527 62.035 1.00 36.96 -0.271 OA +ATOM 2276 CB TYR A 239 -34.400 -5.920 58.980 1.00 31.71 0.073 C +ATOM 2277 CG TYR A 239 -33.530 -5.922 57.744 1.00 32.97 -0.056 A +ATOM 2278 CD1 TYR A 239 -32.316 -6.593 57.728 1.00 35.06 0.010 A +ATOM 2279 CD2 TYR A 239 -33.928 -5.258 56.590 1.00 30.21 0.010 A +ATOM 2280 CE1 TYR A 239 -31.519 -6.601 56.600 1.00 32.54 0.037 A +ATOM 2281 CE2 TYR A 239 -33.139 -5.261 55.456 1.00 29.91 0.037 A +ATOM 2282 CZ TYR A 239 -31.935 -5.934 55.466 1.00 37.95 0.065 A +ATOM 2283 OH TYR A 239 -31.143 -5.940 54.341 1.00 37.23 -0.361 OA +ATOM 2284 HH TYR A 239 -31.429 -5.481 53.560 1.00 0.00 0.217 HD +ATOM 2285 N GLU A 240 -34.907 -3.523 61.084 1.00 38.44 -0.346 N +ATOM 2286 HN GLU A 240 -34.337 -2.986 60.431 1.00 0.00 0.163 HD +ATOM 2287 CA GLU A 240 -35.923 -2.854 61.876 1.00 42.23 0.177 C +ATOM 2288 C GLU A 240 -37.312 -3.344 61.467 1.00 40.61 0.243 C +ATOM 2289 O GLU A 240 -37.544 -3.674 60.302 1.00 44.38 -0.271 OA +ATOM 2290 CB GLU A 240 -35.836 -1.342 61.700 1.00 43.45 0.045 C +ATOM 2291 CG GLU A 240 -34.515 -0.739 62.137 1.00 46.13 0.116 C +ATOM 2292 CD GLU A 240 -34.532 0.776 62.102 1.00 53.52 0.172 C +ATOM 2293 OE1 GLU A 240 -33.846 1.398 62.939 1.00 59.47 -0.648 OA +ATOM 2294 OE2 GLU A 240 -35.234 1.346 61.239 1.00 57.69 -0.648 OA +ATOM 2295 N PRO A 241 -38.249 -3.410 62.410 1.00 47.91 -0.337 N +ATOM 2296 CA PRO A 241 -39.607 -3.838 62.060 1.00 45.17 0.179 C +ATOM 2297 C PRO A 241 -40.286 -2.823 61.155 1.00 44.29 0.241 C +ATOM 2298 O PRO A 241 -40.181 -1.611 61.358 1.00 49.06 -0.271 OA +ATOM 2299 CB PRO A 241 -40.311 -3.939 63.418 1.00 48.34 0.037 C +ATOM 2300 CG PRO A 241 -39.537 -3.023 64.311 1.00 49.80 0.022 C +ATOM 2301 CD PRO A 241 -38.112 -3.119 63.848 1.00 43.55 0.127 C +ATOM 2302 N LEU A 242 -40.980 -3.330 60.141 1.00 49.39 -0.346 N +ATOM 2303 HN LEU A 242 -40.998 -4.341 60.010 1.00 0.00 0.163 HD +ATOM 2304 CA LEU A 242 -41.715 -2.484 59.213 1.00 48.40 0.177 C +ATOM 2305 C LEU A 242 -43.097 -2.190 59.782 1.00 47.01 0.241 C +ATOM 2306 O LEU A 242 -43.827 -3.110 60.164 1.00 49.95 -0.271 OA +ATOM 2307 CB LEU A 242 -41.834 -3.149 57.842 1.00 47.22 0.038 C +ATOM 2308 CG LEU A 242 -42.174 -2.196 56.695 1.00 47.45 -0.020 C +ATOM 2309 CD1 LEU A 242 -40.953 -1.385 56.295 1.00 40.14 0.009 C +ATOM 2310 CD2 LEU A 242 -42.730 -2.957 55.505 1.00 45.10 0.009 C +ATOM 2311 N THR A 243 -43.447 -0.912 59.839 1.00 48.07 -0.344 N +ATOM 2312 HN THR A 243 -42.795 -0.210 59.489 1.00 0.00 0.163 HD +ATOM 2313 CA THR A 243 -44.722 -0.472 60.381 1.00 49.82 0.205 C +ATOM 2314 C THR A 243 -45.686 -0.117 59.255 1.00 49.20 0.243 C +ATOM 2315 O THR A 243 -45.311 -0.016 58.084 1.00 48.55 -0.271 OA +ATOM 2316 CB THR A 243 -44.526 0.731 61.309 1.00 48.03 0.146 C +ATOM 2317 CG2 THR A 243 -43.562 0.385 62.433 1.00 47.32 0.042 C +ATOM 2318 OG1 THR A 243 -43.999 1.833 60.558 1.00 53.04 -0.393 OA +ATOM 2319 HG1 THR A 243 -43.877 2.579 61.133 1.00 0.00 0.210 HD +ATOM 2320 N GLN A 244 -46.955 0.068 59.629 1.00 51.96 -0.346 N +ATOM 2321 HN GLN A 244 -47.230 -0.102 60.596 1.00 0.00 0.163 HD +ATOM 2322 CA GLN A 244 -47.948 0.513 58.657 1.00 52.08 0.177 C +ATOM 2323 C GLN A 244 -47.639 1.916 58.154 1.00 51.01 0.241 C +ATOM 2324 O GLN A 244 -47.957 2.249 57.006 1.00 47.96 -0.271 OA +ATOM 2325 CB GLN A 244 -49.347 0.460 59.273 1.00 51.18 0.044 C +ATOM 2326 CG GLN A 244 -50.475 0.670 58.275 1.00 54.26 0.105 C +ATOM 2327 CD GLN A 244 -50.549 -0.432 57.237 1.00 54.72 0.215 C +ATOM 2328 NE2 GLN A 244 -50.878 -0.062 56.005 1.00 57.47 -0.370 N +ATOM 2329 1HE2 GLN A 244 -50.928 -0.804 55.306 1.00 0.00 0.159 HD +ATOM 2330 2HE2 GLN A 244 -51.074 0.908 55.756 1.00 0.00 0.159 HD +ATOM 2331 OE1 GLN A 244 -50.313 -1.602 57.538 1.00 57.20 -0.274 OA +ATOM 2332 N ASP A 245 -47.015 2.748 58.993 1.00 45.99 -0.346 N +ATOM 2333 HN ASP A 245 -46.814 2.447 59.947 1.00 0.00 0.163 HD +ATOM 2334 CA ASP A 245 -46.618 4.082 58.558 1.00 47.89 0.186 C +ATOM 2335 C ASP A 245 -45.512 4.024 57.512 1.00 47.57 0.241 C +ATOM 2336 O ASP A 245 -45.474 4.865 56.606 1.00 46.82 -0.271 OA +ATOM 2337 CB ASP A 245 -46.171 4.915 59.759 1.00 51.97 0.147 C +ATOM 2338 CG ASP A 245 -45.823 6.340 59.382 1.00 57.42 0.175 C +ATOM 2339 OD1 ASP A 245 -46.503 6.902 58.497 1.00 55.98 -0.648 OA +ATOM 2340 OD2 ASP A 245 -44.871 6.900 59.966 1.00 65.93 -0.648 OA +ATOM 2341 N HIS A 246 -44.607 3.048 57.621 1.00 45.42 -0.346 N +ATOM 2342 HN HIS A 246 -44.635 2.419 58.423 1.00 0.00 0.163 HD +ATOM 2343 CA HIS A 246 -43.579 2.876 56.600 1.00 43.93 0.182 C +ATOM 2344 C HIS A 246 -44.199 2.517 55.255 1.00 48.62 0.241 C +ATOM 2345 O HIS A 246 -43.751 2.998 54.207 1.00 45.31 -0.271 OA +ATOM 2346 CB HIS A 246 -42.583 1.798 57.030 1.00 44.30 0.093 C +ATOM 2347 CG HIS A 246 -41.765 2.170 58.227 1.00 47.71 0.028 A +ATOM 2348 CD2 HIS A 246 -41.312 3.370 58.662 1.00 45.28 0.114 A +ATOM 2349 ND1 HIS A 246 -41.313 1.238 59.137 1.00 46.96 -0.354 N +ATOM 2350 HD1 HIS A 246 -41.488 0.234 59.089 1.00 0.00 0.166 HD +ATOM 2351 CE1 HIS A 246 -40.619 1.847 60.081 1.00 47.59 0.180 A +ATOM 2352 NE2 HIS A 246 -40.604 3.142 59.817 1.00 49.38 -0.360 N +ATOM 2353 HE2 HIS A 246 -40.142 3.856 60.380 1.00 0.00 0.166 HD +ATOM 2354 N VAL A 247 -45.230 1.670 55.267 1.00 47.35 -0.346 N +ATOM 2355 HN VAL A 247 -45.541 1.268 56.151 1.00 0.00 0.163 HD +ATOM 2356 CA VAL A 247 -45.919 1.311 54.031 1.00 48.04 0.180 C +ATOM 2357 C VAL A 247 -46.585 2.538 53.421 1.00 47.65 0.241 C +ATOM 2358 O VAL A 247 -46.571 2.728 52.198 1.00 46.30 -0.271 OA +ATOM 2359 CB VAL A 247 -46.935 0.185 54.298 1.00 46.32 0.009 C +ATOM 2360 CG1 VAL A 247 -47.749 -0.111 53.048 1.00 51.18 0.012 C +ATOM 2361 CG2 VAL A 247 -46.221 -1.067 54.786 1.00 48.81 0.012 C +ATOM 2362 N ASP A 248 -47.170 3.393 54.262 1.00 47.34 -0.345 N +ATOM 2363 HN ASP A 248 -47.182 3.191 55.262 1.00 0.00 0.163 HD +ATOM 2364 CA ASP A 248 -47.792 4.615 53.763 1.00 51.44 0.186 C +ATOM 2365 C ASP A 248 -46.756 5.559 53.164 1.00 50.16 0.241 C +ATOM 2366 O ASP A 248 -47.027 6.229 52.161 1.00 46.82 -0.271 OA +ATOM 2367 CB ASP A 248 -48.562 5.308 54.888 1.00 55.15 0.147 C +ATOM 2368 CG ASP A 248 -49.762 4.508 55.353 1.00 58.06 0.175 C +ATOM 2369 OD1 ASP A 248 -50.023 3.433 54.774 1.00 59.26 -0.648 OA +ATOM 2370 OD2 ASP A 248 -50.445 4.954 56.299 1.00 63.30 -0.648 OA +ATOM 2371 N ILE A 249 -45.566 5.625 53.765 1.00 45.19 -0.346 N +ATOM 2372 HN ILE A 249 -45.391 5.069 54.602 1.00 0.00 0.163 HD +ATOM 2373 CA ILE A 249 -44.513 6.485 53.235 1.00 44.04 0.180 C +ATOM 2374 C ILE A 249 -44.048 5.981 51.873 1.00 39.55 0.241 C +ATOM 2375 O ILE A 249 -43.749 6.772 50.971 1.00 41.30 -0.271 OA +ATOM 2376 CB ILE A 249 -43.350 6.582 54.240 1.00 46.18 0.013 C +ATOM 2377 CG1 ILE A 249 -43.793 7.338 55.494 1.00 49.70 0.002 C +ATOM 2378 CG2 ILE A 249 -42.148 7.270 53.614 1.00 42.94 0.012 C +ATOM 2379 CD1 ILE A 249 -42.780 7.304 56.619 1.00 50.92 0.005 C +ATOM 2380 N LEU A 250 -43.996 4.661 51.697 1.00 42.25 -0.346 N +ATOM 2381 HN LEU A 250 -44.214 4.048 52.482 1.00 0.00 0.163 HD +ATOM 2382 CA LEU A 250 -43.636 4.068 50.415 1.00 39.38 0.177 C +ATOM 2383 C LEU A 250 -44.776 4.105 49.404 1.00 43.67 0.240 C +ATOM 2384 O LEU A 250 -44.617 3.573 48.299 1.00 39.75 -0.271 OA +ATOM 2385 CB LEU A 250 -43.175 2.623 50.618 1.00 38.35 0.038 C +ATOM 2386 CG LEU A 250 -41.896 2.426 51.436 1.00 37.43 -0.020 C +ATOM 2387 CD1 LEU A 250 -41.737 0.968 51.836 1.00 34.63 0.009 C +ATOM 2388 CD2 LEU A 250 -40.681 2.908 50.659 1.00 33.70 0.009 C +ATOM 2389 N GLY A 251 -45.907 4.714 49.754 1.00 45.30 -0.351 N +ATOM 2390 HN GLY A 251 -45.962 5.144 50.677 1.00 0.00 0.163 HD +ATOM 2391 CA GLY A 251 -47.060 4.795 48.888 1.00 43.60 0.225 C +ATOM 2392 C GLY A 251 -46.779 5.379 47.516 1.00 44.79 0.238 C +ATOM 2393 O GLY A 251 -47.056 4.750 46.489 1.00 45.76 -0.272 OA +ATOM 2394 N PRO A 252 -46.246 6.607 47.468 1.00 41.67 -0.337 N +ATOM 2395 CA PRO A 252 -45.926 7.211 46.161 1.00 42.38 0.179 C +ATOM 2396 C PRO A 252 -45.035 6.345 45.286 1.00 45.83 0.241 C +ATOM 2397 O PRO A 252 -45.278 6.240 44.078 1.00 45.57 -0.271 OA +ATOM 2398 CB PRO A 252 -45.236 8.524 46.554 1.00 39.06 0.037 C +ATOM 2399 CG PRO A 252 -45.842 8.874 47.864 1.00 43.74 0.022 C +ATOM 2400 CD PRO A 252 -46.072 7.568 48.573 1.00 43.29 0.127 C +ATOM 2401 N LEU A 253 -44.007 5.717 45.862 1.00 43.10 -0.346 N +ATOM 2402 HN LEU A 253 -43.799 5.876 46.848 1.00 0.00 0.163 HD +ATOM 2403 CA LEU A 253 -43.181 4.803 45.081 1.00 42.15 0.177 C +ATOM 2404 C LEU A 253 -43.956 3.555 44.678 1.00 44.40 0.241 C +ATOM 2405 O LEU A 253 -43.698 2.984 43.612 1.00 40.00 -0.271 OA +ATOM 2406 CB LEU A 253 -41.928 4.420 45.869 1.00 40.83 0.038 C +ATOM 2407 CG LEU A 253 -40.964 5.563 46.185 1.00 39.67 -0.020 C +ATOM 2408 CD1 LEU A 253 -39.773 5.057 46.981 1.00 35.17 0.009 C +ATOM 2409 CD2 LEU A 253 -40.508 6.244 44.904 1.00 41.25 0.009 C +ATOM 2410 N SER A 254 -44.904 3.120 45.510 1.00 44.93 -0.344 N +ATOM 2411 HN SER A 254 -45.065 3.607 46.392 1.00 0.00 0.163 HD +ATOM 2412 CA SER A 254 -45.713 1.954 45.171 1.00 42.80 0.200 C +ATOM 2413 C SER A 254 -46.633 2.244 43.992 1.00 44.95 0.243 C +ATOM 2414 O SER A 254 -46.858 1.374 43.142 1.00 46.98 -0.271 OA +ATOM 2415 CB SER A 254 -46.526 1.510 46.386 1.00 42.20 0.199 C +ATOM 2416 OG SER A 254 -47.106 0.235 46.173 1.00 46.27 -0.398 OA +ATOM 2417 HG SER A 254 -47.612 -0.041 46.928 1.00 0.00 0.209 HD +ATOM 2418 N ALA A 255 -47.174 3.463 43.925 1.00 43.76 -0.346 N +ATOM 2419 HN ALA A 255 -46.944 4.158 44.635 1.00 0.00 0.163 HD +ATOM 2420 CA ALA A 255 -48.091 3.809 42.845 1.00 51.27 0.172 C +ATOM 2421 C ALA A 255 -47.350 4.013 41.529 1.00 49.66 0.240 C +ATOM 2422 O ALA A 255 -47.828 3.589 40.471 1.00 55.93 -0.271 OA +ATOM 2423 CB ALA A 255 -48.883 5.062 43.216 1.00 41.24 0.042 C +ATOM 2424 N GLN A 256 -46.183 4.660 41.576 1.00 50.98 -0.346 N +ATOM 2425 HN GLN A 256 -45.807 4.960 42.475 1.00 0.00 0.163 HD +ATOM 2426 CA GLN A 256 -45.441 4.942 40.350 1.00 47.61 0.177 C +ATOM 2427 C GLN A 256 -44.943 3.662 39.691 1.00 48.35 0.241 C +ATOM 2428 O GLN A 256 -44.931 3.555 38.459 1.00 54.33 -0.271 OA +ATOM 2429 CB GLN A 256 -44.273 5.882 40.652 1.00 48.26 0.044 C +ATOM 2430 CG GLN A 256 -43.358 6.146 39.465 1.00 51.42 0.105 C +ATOM 2431 CD GLN A 256 -42.163 7.005 39.830 1.00 59.01 0.215 C +ATOM 2432 NE2 GLN A 256 -41.197 7.092 38.923 1.00 57.07 -0.370 N +ATOM 2433 1HE2 GLN A 256 -40.393 7.670 39.169 1.00 0.00 0.159 HD +ATOM 2434 2HE2 GLN A 256 -41.243 6.614 38.023 1.00 0.00 0.159 HD +ATOM 2435 OE1 GLN A 256 -42.108 7.582 40.916 1.00 63.84 -0.274 OA +ATOM 2436 N THR A 257 -44.534 2.678 40.492 1.00 42.42 -0.344 N +ATOM 2437 HN THR A 257 -44.598 2.799 41.503 1.00 0.00 0.163 HD +ATOM 2438 CA THR A 257 -43.998 1.433 39.957 1.00 44.98 0.205 C +ATOM 2439 C THR A 257 -45.061 0.368 39.730 1.00 40.52 0.243 C +ATOM 2440 O THR A 257 -44.793 -0.612 39.026 1.00 40.68 -0.271 OA +ATOM 2441 CB THR A 257 -42.927 0.869 40.895 1.00 43.73 0.146 C +ATOM 2442 CG2 THR A 257 -41.837 1.898 41.137 1.00 44.22 0.042 C +ATOM 2443 OG1 THR A 257 -43.527 0.514 42.147 1.00 41.88 -0.393 OA +ATOM 2444 HG1 THR A 257 -42.863 0.164 42.729 1.00 0.00 0.210 HD +ATOM 2445 N GLY A 258 -46.251 0.530 40.303 1.00 41.89 -0.350 N +ATOM 2446 HN GLY A 258 -46.453 1.387 40.818 1.00 0.00 0.163 HD +ATOM 2447 CA GLY A 258 -47.260 -0.503 40.199 1.00 42.08 0.225 C +ATOM 2448 C GLY A 258 -46.953 -1.753 40.989 1.00 48.21 0.236 C +ATOM 2449 O GLY A 258 -47.523 -2.810 40.707 1.00 49.12 -0.272 OA +ATOM 2450 N ILE A 259 -46.062 -1.663 41.972 1.00 41.66 -0.346 N +ATOM 2451 HN ILE A 259 -45.628 -0.758 42.151 1.00 0.00 0.163 HD +ATOM 2452 CA ILE A 259 -45.675 -2.794 42.807 1.00 43.98 0.180 C +ATOM 2453 C ILE A 259 -46.094 -2.484 44.235 1.00 46.45 0.241 C +ATOM 2454 O ILE A 259 -45.639 -1.492 44.819 1.00 42.48 -0.271 OA +ATOM 2455 CB ILE A 259 -44.166 -3.073 42.727 1.00 45.86 0.013 C +ATOM 2456 CG1 ILE A 259 -43.769 -3.441 41.297 1.00 45.12 0.002 C +ATOM 2457 CG2 ILE A 259 -43.774 -4.177 43.698 1.00 43.52 0.012 C +ATOM 2458 CD1 ILE A 259 -42.287 -3.351 41.039 1.00 45.86 0.005 C +ATOM 2459 N ALA A 260 -46.962 -3.325 44.793 1.00 42.04 -0.346 N +ATOM 2460 HN ALA A 260 -47.315 -4.116 44.254 1.00 0.00 0.163 HD +ATOM 2461 CA ALA A 260 -47.414 -3.131 46.162 1.00 45.82 0.172 C +ATOM 2462 C ALA A 260 -46.246 -3.260 47.133 1.00 41.51 0.240 C +ATOM 2463 O ALA A 260 -45.269 -3.969 46.875 1.00 42.00 -0.271 OA +ATOM 2464 CB ALA A 260 -48.506 -4.143 46.512 1.00 45.92 0.042 C +ATOM 2465 N VAL A 261 -46.354 -2.555 48.262 1.00 45.44 -0.346 N +ATOM 2466 HN VAL A 261 -47.198 -2.010 48.437 1.00 0.00 0.163 HD +ATOM 2467 CA VAL A 261 -45.277 -2.556 49.249 1.00 40.11 0.180 C +ATOM 2468 C VAL A 261 -45.039 -3.962 49.781 1.00 40.40 0.241 C +ATOM 2469 O VAL A 261 -43.893 -4.413 49.896 1.00 40.00 -0.271 OA +ATOM 2470 CB VAL A 261 -45.592 -1.565 50.386 1.00 44.87 0.009 C +ATOM 2471 CG1 VAL A 261 -44.536 -1.655 51.477 1.00 37.21 0.012 C +ATOM 2472 CG2 VAL A 261 -45.685 -0.147 49.843 1.00 39.65 0.012 C +ATOM 2473 N LEU A 262 -46.116 -4.683 50.102 1.00 41.06 -0.346 N +ATOM 2474 HN LEU A 262 -47.046 -4.277 49.998 1.00 0.00 0.163 HD +ATOM 2475 CA LEU A 262 -45.973 -6.045 50.600 1.00 40.25 0.177 C +ATOM 2476 C LEU A 262 -45.451 -6.998 49.532 1.00 41.73 0.241 C +ATOM 2477 O LEU A 262 -44.880 -8.039 49.875 1.00 41.71 -0.271 OA +ATOM 2478 CB LEU A 262 -47.307 -6.544 51.153 1.00 44.86 0.038 C +ATOM 2479 CG LEU A 262 -47.781 -5.814 52.413 1.00 45.85 -0.020 C +ATOM 2480 CD1 LEU A 262 -49.092 -6.394 52.919 1.00 45.98 0.009 C +ATOM 2481 CD2 LEU A 262 -46.712 -5.864 53.497 1.00 43.73 0.009 C +ATOM 2482 N ASP A 263 -45.635 -6.671 48.251 1.00 40.62 -0.346 N +ATOM 2483 HN ASP A 263 -46.231 -5.880 48.008 1.00 0.00 0.163 HD +ATOM 2484 CA ASP A 263 -44.984 -7.444 47.199 1.00 42.40 0.186 C +ATOM 2485 C ASP A 263 -43.481 -7.200 47.198 1.00 41.38 0.241 C +ATOM 2486 O ASP A 263 -42.693 -8.133 47.001 1.00 38.61 -0.271 OA +ATOM 2487 CB ASP A 263 -45.583 -7.096 45.836 1.00 46.15 0.147 C +ATOM 2488 CG ASP A 263 -47.021 -7.555 45.695 1.00 53.38 0.175 C +ATOM 2489 OD1 ASP A 263 -47.641 -7.900 46.722 1.00 47.26 -0.648 OA +ATOM 2490 OD2 ASP A 263 -47.531 -7.573 44.555 1.00 56.35 -0.648 OA +ATOM 2491 N MET A 264 -43.066 -5.950 47.419 1.00 41.82 -0.346 N +ATOM 2492 HN MET A 264 -43.751 -5.202 47.531 1.00 0.00 0.163 HD +ATOM 2493 CA MET A 264 -41.642 -5.645 47.502 1.00 42.49 0.177 C +ATOM 2494 C MET A 264 -41.015 -6.244 48.753 1.00 39.15 0.241 C +ATOM 2495 O MET A 264 -39.842 -6.633 48.732 1.00 39.74 -0.271 OA +ATOM 2496 CB MET A 264 -41.427 -4.132 47.466 1.00 38.06 0.045 C +ATOM 2497 CG MET A 264 -39.986 -3.717 47.231 1.00 44.12 0.076 C +ATOM 2498 SD MET A 264 -39.393 -4.188 45.594 1.00 43.04 -0.173 SA +ATOM 2499 CE MET A 264 -40.049 -2.855 44.595 1.00 39.43 0.089 C +ATOM 2500 N CYS A 265 -41.775 -6.325 49.848 1.00 37.07 -0.345 N +ATOM 2501 HN CYS A 265 -42.716 -5.932 49.842 1.00 0.00 0.163 HD +ATOM 2502 CA CYS A 265 -41.266 -6.973 51.053 1.00 36.83 0.186 C +ATOM 2503 C CYS A 265 -41.021 -8.458 50.817 1.00 38.56 0.241 C +ATOM 2504 O CYS A 265 -40.050 -9.022 51.335 1.00 37.06 -0.271 OA +ATOM 2505 CB CYS A 265 -42.240 -6.766 52.212 1.00 40.31 0.120 C +ATOM 2506 SG CYS A 265 -42.478 -5.039 52.677 1.00 47.47 -0.095 SA +ATOM 2507 N ALA A 266 -41.892 -9.107 50.039 1.00 40.63 -0.346 N +ATOM 2508 HN ALA A 266 -42.719 -8.623 49.689 1.00 0.00 0.163 HD +ATOM 2509 CA ALA A 266 -41.666 -10.505 49.688 1.00 41.15 0.172 C +ATOM 2510 C ALA A 266 -40.402 -10.670 48.857 1.00 39.93 0.240 C +ATOM 2511 O ALA A 266 -39.728 -11.702 48.951 1.00 47.79 -0.271 OA +ATOM 2512 CB ALA A 266 -42.875 -11.062 48.936 1.00 47.71 0.042 C +ATOM 2513 N SER A 267 -40.066 -9.670 48.040 1.00 41.06 -0.344 N +ATOM 2514 HN SER A 267 -40.691 -8.872 47.932 1.00 0.00 0.163 HD +ATOM 2515 CA SER A 267 -38.810 -9.712 47.301 1.00 43.82 0.200 C +ATOM 2516 C SER A 267 -37.622 -9.502 48.230 1.00 39.34 0.243 C +ATOM 2517 O SER A 267 -36.579 -10.147 48.070 1.00 40.48 -0.271 OA +ATOM 2518 CB SER A 267 -38.817 -8.661 46.191 1.00 38.53 0.199 C +ATOM 2519 OG SER A 267 -39.821 -8.940 45.232 1.00 48.72 -0.398 OA +ATOM 2520 HG SER A 267 -39.825 -8.287 44.542 1.00 0.00 0.209 HD +ATOM 2521 N LEU A 268 -37.760 -8.601 49.206 1.00 38.23 -0.346 N +ATOM 2522 HN LEU A 268 -38.618 -8.054 49.272 1.00 0.00 0.163 HD +ATOM 2523 CA LEU A 268 -36.692 -8.394 50.178 1.00 35.14 0.177 C +ATOM 2524 C LEU A 268 -36.489 -9.631 51.043 1.00 37.02 0.241 C +ATOM 2525 O LEU A 268 -35.353 -9.971 51.394 1.00 38.62 -0.271 OA +ATOM 2526 CB LEU A 268 -37.003 -7.174 51.045 1.00 36.68 0.038 C +ATOM 2527 CG LEU A 268 -36.013 -6.846 52.164 1.00 33.77 -0.020 C +ATOM 2528 CD1 LEU A 268 -34.598 -6.756 51.616 1.00 30.10 0.009 C +ATOM 2529 CD2 LEU A 268 -36.402 -5.553 52.864 1.00 31.19 0.009 C +ATOM 2530 N LYS A 269 -37.580 -10.317 51.395 1.00 38.58 -0.346 N +ATOM 2531 HN LYS A 269 -38.502 -9.977 51.121 1.00 0.00 0.163 HD +ATOM 2532 CA LYS A 269 -37.463 -11.549 52.169 1.00 40.10 0.176 C +ATOM 2533 C LYS A 269 -36.655 -12.597 51.415 1.00 42.05 0.241 C +ATOM 2534 O LYS A 269 -35.828 -13.300 52.008 1.00 41.92 -0.271 OA +ATOM 2535 CB LYS A 269 -38.852 -12.084 52.513 1.00 46.02 0.035 C +ATOM 2536 CG LYS A 269 -38.846 -13.426 53.224 1.00 51.23 0.004 C +ATOM 2537 CD LYS A 269 -40.253 -13.987 53.349 1.00 53.17 0.027 C +ATOM 2538 CE LYS A 269 -41.180 -13.000 54.039 1.00 51.26 0.229 C +ATOM 2539 NZ LYS A 269 -42.571 -13.519 54.134 1.00 56.30 -0.079 N +ATOM 2540 HZ1 LYS A 269 -43.193 -12.857 54.597 1.00 0.00 0.274 HD +ATOM 2541 HZ2 LYS A 269 -42.596 -14.432 54.589 1.00 0.00 0.274 HD +ATOM 2542 HZ3 LYS A 269 -42.930 -13.787 53.218 1.00 0.00 0.274 HD +ATOM 2543 N GLU A 270 -36.877 -12.714 50.104 1.00 43.04 -0.346 N +ATOM 2544 HN GLU A 270 -37.588 -12.136 49.656 1.00 0.00 0.163 HD +ATOM 2545 CA GLU A 270 -36.107 -13.665 49.310 1.00 46.48 0.177 C +ATOM 2546 C GLU A 270 -34.655 -13.222 49.176 1.00 43.84 0.241 C +ATOM 2547 O GLU A 270 -33.743 -14.057 49.190 1.00 45.21 -0.271 OA +ATOM 2548 CB GLU A 270 -36.747 -13.842 47.933 1.00 45.69 0.045 C +ATOM 2549 CG GLU A 270 -38.113 -14.505 47.972 1.00 51.79 0.116 C +ATOM 2550 CD GLU A 270 -38.161 -15.683 48.926 1.00 60.94 0.172 C +ATOM 2551 OE1 GLU A 270 -38.830 -15.573 49.975 1.00 63.77 -0.648 OA +ATOM 2552 OE2 GLU A 270 -37.529 -16.718 48.627 1.00 65.14 -0.648 OA +ATOM 2553 N LEU A 271 -34.419 -11.914 49.046 1.00 45.19 -0.346 N +ATOM 2554 HN LEU A 271 -35.200 -11.261 48.975 1.00 0.00 0.163 HD +ATOM 2555 CA LEU A 271 -33.048 -11.415 49.005 1.00 42.45 0.177 C +ATOM 2556 C LEU A 271 -32.335 -11.666 50.327 1.00 43.35 0.241 C +ATOM 2557 O LEU A 271 -31.127 -11.929 50.351 1.00 45.28 -0.271 OA +ATOM 2558 CB LEU A 271 -33.039 -9.925 48.665 1.00 41.98 0.038 C +ATOM 2559 CG LEU A 271 -33.507 -9.528 47.264 1.00 41.27 -0.020 C +ATOM 2560 CD1 LEU A 271 -33.534 -8.014 47.117 1.00 37.30 0.009 C +ATOM 2561 CD2 LEU A 271 -32.622 -10.159 46.201 1.00 46.99 0.009 C +ATOM 2562 N LEU A 272 -33.068 -11.591 51.440 1.00 42.10 -0.346 N +ATOM 2563 HN LEU A 272 -34.057 -11.349 51.381 1.00 0.00 0.163 HD +ATOM 2564 CA LEU A 272 -32.461 -11.854 52.740 1.00 42.09 0.177 C +ATOM 2565 C LEU A 272 -32.172 -13.338 52.926 1.00 48.89 0.241 C +ATOM 2566 O LEU A 272 -31.127 -13.710 53.472 1.00 53.66 -0.271 OA +ATOM 2567 CB LEU A 272 -33.373 -11.343 53.856 1.00 40.00 0.038 C +ATOM 2568 CG LEU A 272 -33.439 -9.825 54.033 1.00 41.91 -0.020 C +ATOM 2569 CD1 LEU A 272 -34.425 -9.451 55.129 1.00 35.76 0.009 C +ATOM 2570 CD2 LEU A 272 -32.058 -9.269 54.332 1.00 44.46 0.009 C +ATOM 2571 N GLN A 273 -33.082 -14.202 52.471 1.00 52.50 -0.346 N +ATOM 2572 HN GLN A 273 -33.896 -13.856 51.964 1.00 0.00 0.163 HD +ATOM 2573 CA GLN A 273 -32.925 -15.635 52.691 1.00 51.77 0.177 C +ATOM 2574 C GLN A 273 -31.999 -16.272 51.661 1.00 51.92 0.241 C +ATOM 2575 O GLN A 273 -31.243 -17.192 51.990 1.00 56.61 -0.271 OA +ATOM 2576 CB GLN A 273 -34.292 -16.321 52.672 1.00 49.12 0.044 C +ATOM 2577 CG GLN A 273 -35.164 -16.003 53.876 1.00 46.31 0.105 C +ATOM 2578 CD GLN A 273 -36.599 -16.457 53.693 1.00 52.57 0.215 C +ATOM 2579 NE2 GLN A 273 -37.311 -16.631 54.800 1.00 57.13 -0.370 N +ATOM 2580 1HE2 GLN A 273 -38.276 -16.936 54.677 1.00 0.00 0.159 HD +ATOM 2581 2HE2 GLN A 273 -36.927 -16.472 55.731 1.00 0.00 0.159 HD +ATOM 2582 OE1 GLN A 273 -37.063 -16.649 52.569 1.00 59.44 -0.274 OA +ATOM 2583 N ASN A 274 -32.041 -15.799 50.414 1.00 50.67 -0.346 N +ATOM 2584 HN ASN A 274 -32.636 -14.997 50.206 1.00 0.00 0.163 HD +ATOM 2585 CA ASN A 274 -31.258 -16.399 49.342 1.00 56.22 0.185 C +ATOM 2586 C ASN A 274 -29.996 -15.622 48.997 1.00 58.82 0.241 C +ATOM 2587 O ASN A 274 -29.052 -16.215 48.461 1.00 62.53 -0.271 OA +ATOM 2588 CB ASN A 274 -32.108 -16.537 48.071 1.00 54.86 0.137 C +ATOM 2589 CG ASN A 274 -33.184 -17.594 48.200 1.00 59.96 0.217 C +ATOM 2590 ND2 ASN A 274 -34.247 -17.272 48.928 1.00 60.96 -0.370 N +ATOM 2591 1HD2 ASN A 274 -34.972 -17.984 49.015 1.00 0.00 0.159 HD +ATOM 2592 2HD2 ASN A 274 -34.346 -16.366 49.386 1.00 0.00 0.159 HD +ATOM 2593 OD1 ASN A 274 -33.065 -18.687 47.647 1.00 71.24 -0.274 OA +ATOM 2594 N GLY A 275 -29.951 -14.326 49.285 1.00 58.14 -0.351 N +ATOM 2595 HN GLY A 275 -30.696 -13.903 49.839 1.00 0.00 0.163 HD +ATOM 2596 CA GLY A 275 -28.851 -13.511 48.817 1.00 56.72 0.225 C +ATOM 2597 C GLY A 275 -29.093 -13.035 47.395 1.00 56.27 0.236 C +ATOM 2598 O GLY A 275 -30.207 -13.098 46.864 1.00 59.13 -0.272 OA +ATOM 2599 N MET A 276 -28.021 -12.553 46.768 1.00 60.37 -0.346 N +ATOM 2600 HN MET A 276 -27.127 -12.528 47.259 1.00 0.00 0.163 HD +ATOM 2601 CA MET A 276 -28.094 -12.061 45.399 1.00 63.91 0.177 C +ATOM 2602 C MET A 276 -27.532 -13.040 44.377 1.00 67.41 0.241 C +ATOM 2603 O MET A 276 -27.698 -12.811 43.174 1.00 65.06 -0.271 OA +ATOM 2604 CB MET A 276 -27.361 -10.720 45.279 1.00 61.86 0.045 C +ATOM 2605 CG MET A 276 -27.916 -9.635 46.185 1.00 58.29 0.076 C +ATOM 2606 SD MET A 276 -27.474 -7.976 45.639 1.00 64.45 -0.173 SA +ATOM 2607 CE MET A 276 -28.134 -6.996 46.984 1.00 53.58 0.089 C +ATOM 2608 N ASN A 277 -26.874 -14.113 44.825 1.00 70.86 -0.346 N +ATOM 2609 HN ASN A 277 -26.748 -14.219 45.832 1.00 0.00 0.163 HD +ATOM 2610 CA ASN A 277 -26.324 -15.145 43.943 1.00 69.91 0.185 C +ATOM 2611 C ASN A 277 -25.333 -14.571 42.935 1.00 69.73 0.241 C +ATOM 2612 O ASN A 277 -25.185 -15.093 41.827 1.00 72.21 -0.271 OA +ATOM 2613 CB ASN A 277 -27.436 -15.911 43.219 1.00 69.32 0.137 C +ATOM 2614 CG ASN A 277 -28.562 -16.322 44.148 1.00 71.51 0.217 C +ATOM 2615 ND2 ASN A 277 -28.249 -17.174 45.117 1.00 68.46 -0.370 N +ATOM 2616 1HD2 ASN A 277 -29.006 -17.450 45.742 1.00 0.00 0.159 HD +ATOM 2617 2HD2 ASN A 277 -27.305 -17.539 45.244 1.00 0.00 0.159 HD +ATOM 2618 OD1 ASN A 277 -29.702 -15.881 43.995 1.00 71.38 -0.274 OA +ATOM 2619 N GLY A 278 -24.644 -13.492 43.306 1.00 69.46 -0.351 N +ATOM 2620 HN GLY A 278 -24.834 -13.078 44.219 1.00 0.00 0.163 HD +ATOM 2621 CA GLY A 278 -23.637 -12.887 42.462 1.00 66.66 0.225 C +ATOM 2622 C GLY A 278 -24.118 -11.726 41.617 1.00 62.86 0.236 C +ATOM 2623 O GLY A 278 -23.292 -11.080 40.961 1.00 66.43 -0.272 OA +ATOM 2624 N ARG A 279 -25.418 -11.444 41.608 1.00 62.00 -0.346 N +ATOM 2625 HN ARG A 279 -26.058 -12.021 42.153 1.00 0.00 0.163 HD +ATOM 2626 CA ARG A 279 -25.946 -10.330 40.837 1.00 58.14 0.176 C +ATOM 2627 C ARG A 279 -25.826 -9.033 41.636 1.00 54.97 0.241 C +ATOM 2628 O ARG A 279 -25.415 -9.020 42.800 1.00 57.06 -0.271 OA +ATOM 2629 CB ARG A 279 -27.394 -10.601 40.435 1.00 58.33 0.036 C +ATOM 2630 CG ARG A 279 -27.543 -11.605 39.305 1.00 61.48 0.023 C +ATOM 2631 CD ARG A 279 -28.893 -12.299 39.360 1.00 64.48 0.138 C +ATOM 2632 NE ARG A 279 -29.126 -12.935 40.653 1.00 68.07 -0.227 N +ATOM 2633 HE ARG A 279 -28.542 -12.647 41.439 1.00 0.00 0.177 HD +ATOM 2634 CZ ARG A 279 -30.050 -13.865 40.872 1.00 66.61 0.665 C +ATOM 2635 NH1 ARG A 279 -30.832 -14.271 39.881 1.00 65.70 -0.235 N +ATOM 2636 1HH1 ARG A 279 -31.541 -14.985 40.049 1.00 0.00 0.174 HD +ATOM 2637 2HH1 ARG A 279 -30.723 -13.868 38.950 1.00 0.00 0.174 HD +ATOM 2638 NH2 ARG A 279 -30.192 -14.388 42.081 1.00 64.26 -0.235 N +ATOM 2639 1HH2 ARG A 279 -30.901 -15.102 42.249 1.00 0.00 0.174 HD +ATOM 2640 2HH2 ARG A 279 -29.590 -14.076 42.843 1.00 0.00 0.174 HD +ATOM 2641 N THR A 280 -26.187 -7.920 41.000 1.00 53.01 -0.344 N +ATOM 2642 HN THR A 280 -26.535 -7.992 40.044 1.00 0.00 0.163 HD +ATOM 2643 CA THR A 280 -26.103 -6.607 41.618 1.00 54.41 0.205 C +ATOM 2644 C THR A 280 -27.418 -5.863 41.438 1.00 47.56 0.243 C +ATOM 2645 O THR A 280 -28.215 -6.167 40.546 1.00 47.45 -0.271 OA +ATOM 2646 CB THR A 280 -24.955 -5.771 41.030 1.00 51.50 0.146 C +ATOM 2647 CG2 THR A 280 -23.611 -6.431 41.305 1.00 48.75 0.042 C +ATOM 2648 OG1 THR A 280 -25.136 -5.632 39.615 1.00 46.19 -0.393 OA +ATOM 2649 HG1 THR A 280 -24.426 -5.115 39.252 1.00 0.00 0.210 HD +ATOM 2650 N ILE A 281 -27.634 -4.877 42.305 1.00 44.13 -0.346 N +ATOM 2651 HN ILE A 281 -26.950 -4.726 43.047 1.00 0.00 0.163 HD +ATOM 2652 CA ILE A 281 -28.798 -4.001 42.249 1.00 42.36 0.180 C +ATOM 2653 C ILE A 281 -28.294 -2.566 42.272 1.00 45.61 0.241 C +ATOM 2654 O ILE A 281 -27.695 -2.133 43.264 1.00 43.79 -0.271 OA +ATOM 2655 CB ILE A 281 -29.770 -4.251 43.414 1.00 41.15 0.013 C +ATOM 2656 CG1 ILE A 281 -30.359 -5.660 43.331 1.00 44.80 0.002 C +ATOM 2657 CG2 ILE A 281 -30.877 -3.214 43.410 1.00 43.10 0.012 C +ATOM 2658 CD1 ILE A 281 -31.258 -6.012 44.497 1.00 39.65 0.005 C +ATOM 2659 N LEU A 282 -28.531 -1.834 41.182 1.00 43.16 -0.346 N +ATOM 2660 HN LEU A 282 -29.055 -2.256 40.416 1.00 0.00 0.163 HD +ATOM 2661 CA LEU A 282 -28.071 -0.451 41.038 1.00 45.23 0.177 C +ATOM 2662 C LEU A 282 -26.561 -0.343 41.244 1.00 47.58 0.240 C +ATOM 2663 O LEU A 282 -26.058 0.635 41.801 1.00 45.25 -0.271 OA +ATOM 2664 CB LEU A 282 -28.821 0.485 41.990 1.00 41.21 0.038 C +ATOM 2665 CG LEU A 282 -30.264 0.819 41.604 1.00 38.59 -0.020 C +ATOM 2666 CD1 LEU A 282 -30.929 1.671 42.675 1.00 39.34 0.009 C +ATOM 2667 CD2 LEU A 282 -30.310 1.518 40.254 1.00 40.02 0.009 C +ATOM 2668 N GLY A 283 -25.832 -1.362 40.794 1.00 47.85 -0.351 N +ATOM 2669 HN GLY A 283 -26.303 -2.159 40.366 1.00 0.00 0.163 HD +ATOM 2670 CA GLY A 283 -24.388 -1.368 40.897 1.00 43.98 0.225 C +ATOM 2671 C GLY A 283 -23.833 -1.782 42.240 1.00 46.91 0.236 C +ATOM 2672 O GLY A 283 -22.619 -1.676 42.448 1.00 52.36 -0.272 OA +ATOM 2673 N SER A 284 -24.674 -2.251 43.157 1.00 46.38 -0.344 N +ATOM 2674 HN SER A 284 -25.662 -2.333 42.918 1.00 0.00 0.163 HD +ATOM 2675 CA SER A 284 -24.242 -2.652 44.488 1.00 45.39 0.200 C +ATOM 2676 C SER A 284 -24.530 -4.131 44.699 1.00 45.33 0.243 C +ATOM 2677 O SER A 284 -25.546 -4.651 44.224 1.00 44.86 -0.271 OA +ATOM 2678 CB SER A 284 -24.939 -1.822 45.570 1.00 46.80 0.199 C +ATOM 2679 OG SER A 284 -24.953 -2.511 46.809 1.00 52.75 -0.398 OA +ATOM 2680 HG SER A 284 -25.385 -1.996 47.480 1.00 0.00 0.209 HD +ATOM 2681 N ALA A 285 -23.633 -4.806 45.416 1.00 46.95 -0.346 N +ATOM 2682 HN ALA A 285 -22.825 -4.307 45.787 1.00 0.00 0.163 HD +ATOM 2683 CA ALA A 285 -23.763 -6.230 45.690 1.00 49.63 0.172 C +ATOM 2684 C ALA A 285 -24.365 -6.522 47.058 1.00 46.92 0.240 C +ATOM 2685 O ALA A 285 -24.538 -7.694 47.404 1.00 46.50 -0.271 OA +ATOM 2686 CB ALA A 285 -22.401 -6.918 45.562 1.00 45.38 0.042 C +ATOM 2687 N LEU A 286 -24.680 -5.496 47.844 1.00 43.38 -0.346 N +ATOM 2688 HN LEU A 286 -24.399 -4.557 47.562 1.00 0.00 0.163 HD +ATOM 2689 CA LEU A 286 -25.411 -5.663 49.091 1.00 46.74 0.177 C +ATOM 2690 C LEU A 286 -26.575 -4.681 49.119 1.00 45.35 0.241 C +ATOM 2691 O LEU A 286 -26.685 -3.785 48.277 1.00 45.40 -0.271 OA +ATOM 2692 CB LEU A 286 -24.505 -5.478 50.320 1.00 44.86 0.038 C +ATOM 2693 CG LEU A 286 -23.537 -4.295 50.403 1.00 50.21 -0.020 C +ATOM 2694 CD1 LEU A 286 -24.237 -3.026 50.871 1.00 52.98 0.009 C +ATOM 2695 CD2 LEU A 286 -22.381 -4.638 51.330 1.00 50.75 0.009 C +ATOM 2696 N LEU A 287 -27.454 -4.861 50.100 1.00 43.05 -0.346 N +ATOM 2697 HN LEU A 287 -27.272 -5.575 50.805 1.00 0.00 0.163 HD +ATOM 2698 CA LEU A 287 -28.671 -4.065 50.194 1.00 40.31 0.177 C +ATOM 2699 C LEU A 287 -28.367 -2.731 50.866 1.00 40.74 0.241 C +ATOM 2700 O LEU A 287 -27.907 -2.696 52.013 1.00 40.08 -0.271 OA +ATOM 2701 CB LEU A 287 -29.743 -4.836 50.960 1.00 39.07 0.038 C +ATOM 2702 CG LEU A 287 -30.148 -6.166 50.315 1.00 45.82 -0.020 C +ATOM 2703 CD1 LEU A 287 -30.899 -7.046 51.299 1.00 37.38 0.009 C +ATOM 2704 CD2 LEU A 287 -30.980 -5.927 49.065 1.00 39.23 0.009 C +ATOM 2705 N GLU A 288 -28.626 -1.637 50.153 1.00 43.94 -0.346 N +ATOM 2706 HN GLU A 288 -29.031 -1.736 49.222 1.00 0.00 0.163 HD +ATOM 2707 CA GLU A 288 -28.346 -0.303 50.666 1.00 39.65 0.177 C +ATOM 2708 C GLU A 288 -29.501 0.199 51.522 1.00 35.61 0.241 C +ATOM 2709 O GLU A 288 -30.673 0.001 51.187 1.00 33.13 -0.271 OA +ATOM 2710 CB GLU A 288 -28.094 0.667 49.512 1.00 40.34 0.045 C +ATOM 2711 CG GLU A 288 -27.034 0.202 48.527 1.00 43.71 0.116 C +ATOM 2712 CD GLU A 288 -25.631 0.311 49.088 1.00 54.24 0.172 C +ATOM 2713 OE1 GLU A 288 -25.415 1.147 49.991 1.00 57.11 -0.648 OA +ATOM 2714 OE2 GLU A 288 -24.744 -0.438 48.627 1.00 55.38 -0.648 OA +ATOM 2715 N ASP A 289 -29.164 0.864 52.632 1.00 34.58 -0.346 N +ATOM 2716 HN ASP A 289 -28.177 1.009 52.842 1.00 0.00 0.163 HD +ATOM 2717 CA ASP A 289 -30.169 1.388 53.551 1.00 31.69 0.186 C +ATOM 2718 C ASP A 289 -29.940 2.860 53.881 1.00 32.60 0.241 C +ATOM 2719 O ASP A 289 -30.467 3.352 54.884 1.00 32.84 -0.271 OA +ATOM 2720 CB ASP A 289 -30.212 0.557 54.837 1.00 34.39 0.147 C +ATOM 2721 CG ASP A 289 -29.010 0.794 55.732 1.00 36.52 0.175 C +ATOM 2722 OD1 ASP A 289 -27.932 1.160 55.215 1.00 34.85 -0.648 OA +ATOM 2723 OD2 ASP A 289 -29.143 0.606 56.960 1.00 37.93 -0.648 OA +ATOM 2724 N GLU A 290 -29.171 3.577 53.060 1.00 30.06 -0.346 N +ATOM 2725 HN GLU A 290 -28.771 3.124 52.238 1.00 0.00 0.163 HD +ATOM 2726 CA GLU A 290 -28.884 4.986 53.298 1.00 37.11 0.177 C +ATOM 2727 C GLU A 290 -29.628 5.902 52.332 1.00 36.71 0.241 C +ATOM 2728 O GLU A 290 -29.228 7.055 52.144 1.00 36.45 -0.271 OA +ATOM 2729 CB GLU A 290 -27.377 5.240 53.224 1.00 42.67 0.045 C +ATOM 2730 CG GLU A 290 -26.565 4.420 54.218 1.00 39.72 0.116 C +ATOM 2731 CD GLU A 290 -25.689 5.277 55.113 1.00 49.42 0.172 C +ATOM 2732 OE1 GLU A 290 -25.329 6.400 54.700 1.00 46.04 -0.648 OA +ATOM 2733 OE2 GLU A 290 -25.366 4.829 56.235 1.00 45.74 -0.648 OA +ATOM 2734 N PHE A 291 -30.701 5.412 51.714 1.00 32.45 -0.346 N +ATOM 2735 HN PHE A 291 -30.936 4.429 51.854 1.00 0.00 0.163 HD +ATOM 2736 CA PHE A 291 -31.556 6.214 50.846 1.00 30.40 0.180 C +ATOM 2737 C PHE A 291 -32.960 6.229 51.430 1.00 28.93 0.241 C +ATOM 2738 O PHE A 291 -33.613 5.183 51.508 1.00 33.65 -0.271 OA +ATOM 2739 CB PHE A 291 -31.584 5.660 49.419 1.00 35.18 0.073 C +ATOM 2740 CG PHE A 291 -30.269 5.747 48.702 1.00 35.16 -0.056 A +ATOM 2741 CD1 PHE A 291 -29.843 6.943 48.148 1.00 41.40 0.007 A +ATOM 2742 CD2 PHE A 291 -29.464 4.628 48.568 1.00 39.83 0.007 A +ATOM 2743 CE1 PHE A 291 -28.634 7.023 47.481 1.00 40.28 0.001 A +ATOM 2744 CE2 PHE A 291 -28.255 4.701 47.904 1.00 42.31 0.001 A +ATOM 2745 CZ PHE A 291 -27.839 5.900 47.359 1.00 44.36 0.000 A +ATOM 2746 N THR A 292 -33.421 7.405 51.836 1.00 29.18 -0.344 N +ATOM 2747 HN THR A 292 -32.811 8.222 51.805 1.00 0.00 0.163 HD +ATOM 2748 CA THR A 292 -34.782 7.545 52.324 1.00 32.67 0.205 C +ATOM 2749 C THR A 292 -35.765 7.531 51.157 1.00 34.56 0.245 C +ATOM 2750 O THR A 292 -35.377 7.732 50.003 1.00 31.43 -0.271 OA +ATOM 2751 CB THR A 292 -34.930 8.843 53.114 1.00 34.07 0.146 C +ATOM 2752 CG2 THR A 292 -33.818 8.973 54.142 1.00 33.60 0.042 C +ATOM 2753 OG1 THR A 292 -34.881 9.960 52.217 1.00 35.62 -0.393 OA +ATOM 2754 HG1 THR A 292 -34.973 10.768 52.709 1.00 0.00 0.210 HD +ATOM 2755 N PRO A 293 -37.047 7.272 51.428 1.00 31.23 -0.337 N +ATOM 2756 CA PRO A 293 -38.054 7.428 50.366 1.00 33.28 0.179 C +ATOM 2757 C PRO A 293 -38.059 8.815 49.749 1.00 36.53 0.241 C +ATOM 2758 O PRO A 293 -38.328 8.948 48.549 1.00 33.40 -0.271 OA +ATOM 2759 CB PRO A 293 -39.371 7.119 51.089 1.00 31.22 0.037 C +ATOM 2760 CG PRO A 293 -38.975 6.190 52.181 1.00 34.10 0.022 C +ATOM 2761 CD PRO A 293 -37.614 6.646 52.636 1.00 35.28 0.127 C +ATOM 2762 N PHE A 294 -37.763 9.854 50.535 1.00 37.82 -0.346 N +ATOM 2763 HN PHE A 294 -37.619 9.708 51.534 1.00 0.00 0.163 HD +ATOM 2764 CA PHE A 294 -37.644 11.195 49.974 1.00 37.77 0.180 C +ATOM 2765 C PHE A 294 -36.470 11.283 49.007 1.00 36.09 0.241 C +ATOM 2766 O PHE A 294 -36.580 11.898 47.939 1.00 35.93 -0.271 OA +ATOM 2767 CB PHE A 294 -37.494 12.222 51.098 1.00 39.53 0.073 C +ATOM 2768 CG PHE A 294 -37.046 13.579 50.629 1.00 46.89 -0.056 A +ATOM 2769 CD1 PHE A 294 -37.962 14.491 50.131 1.00 46.71 0.007 A +ATOM 2770 CD2 PHE A 294 -35.710 13.946 50.694 1.00 46.02 0.007 A +ATOM 2771 CE1 PHE A 294 -37.555 15.740 49.699 1.00 45.80 0.001 A +ATOM 2772 CE2 PHE A 294 -35.297 15.193 50.263 1.00 50.10 0.001 A +ATOM 2773 CZ PHE A 294 -36.221 16.091 49.766 1.00 49.44 0.000 A +ATOM 2774 N ASP A 295 -35.335 10.677 49.366 1.00 35.46 -0.345 N +ATOM 2775 HN ASP A 295 -35.283 10.192 50.262 1.00 0.00 0.163 HD +ATOM 2776 CA ASP A 295 -34.169 10.702 48.488 1.00 36.98 0.186 C +ATOM 2777 C ASP A 295 -34.461 10.007 47.164 1.00 39.00 0.241 C +ATOM 2778 O ASP A 295 -33.961 10.422 46.112 1.00 37.31 -0.271 OA +ATOM 2779 CB ASP A 295 -32.974 10.046 49.182 1.00 35.68 0.147 C +ATOM 2780 CG ASP A 295 -32.512 10.817 50.404 1.00 43.97 0.175 C +ATOM 2781 OD1 ASP A 295 -32.531 12.065 50.364 1.00 48.13 -0.648 OA +ATOM 2782 OD2 ASP A 295 -32.130 10.174 51.406 1.00 36.81 -0.648 OA +ATOM 2783 N VAL A 296 -35.273 8.949 47.197 1.00 35.51 -0.346 N +ATOM 2784 HN VAL A 296 -35.673 8.648 48.086 1.00 0.00 0.163 HD +ATOM 2785 CA VAL A 296 -35.595 8.217 45.976 1.00 38.02 0.180 C +ATOM 2786 C VAL A 296 -36.552 9.025 45.107 1.00 40.16 0.241 C +ATOM 2787 O VAL A 296 -36.359 9.146 43.891 1.00 45.87 -0.271 OA +ATOM 2788 CB VAL A 296 -36.174 6.833 46.321 1.00 35.27 0.009 C +ATOM 2789 CG1 VAL A 296 -36.681 6.141 45.066 1.00 39.63 0.012 C +ATOM 2790 CG2 VAL A 296 -35.128 5.982 47.023 1.00 29.11 0.012 C +ATOM 2791 N VAL A 297 -37.598 9.589 45.718 1.00 38.46 -0.346 N +ATOM 2792 HN VAL A 297 -37.716 9.470 46.724 1.00 0.00 0.163 HD +ATOM 2793 CA VAL A 297 -38.575 10.374 44.966 1.00 45.90 0.180 C +ATOM 2794 C VAL A 297 -37.904 11.567 44.297 1.00 49.13 0.241 C +ATOM 2795 O VAL A 297 -38.184 11.887 43.135 1.00 52.12 -0.271 OA +ATOM 2796 CB VAL A 297 -39.724 10.819 45.892 1.00 45.77 0.009 C +ATOM 2797 CG1 VAL A 297 -40.575 11.887 45.220 1.00 44.51 0.012 C +ATOM 2798 CG2 VAL A 297 -40.577 9.627 46.294 1.00 44.40 0.012 C +ATOM 2799 N ARG A 298 -36.998 12.232 45.015 1.00 46.70 -0.346 N +ATOM 2800 HN ARG A 298 -36.773 11.907 45.955 1.00 0.00 0.163 HD +ATOM 2801 CA ARG A 298 -36.320 13.412 44.491 1.00 44.22 0.176 C +ATOM 2802 C ARG A 298 -35.428 13.088 43.296 1.00 50.73 0.241 C +ATOM 2803 O ARG A 298 -35.115 13.988 42.508 1.00 54.75 -0.271 OA +ATOM 2804 CB ARG A 298 -35.529 14.070 45.631 1.00 51.51 0.036 C +ATOM 2805 CG ARG A 298 -34.202 14.721 45.273 1.00 49.71 0.023 C +ATOM 2806 CD ARG A 298 -33.661 15.490 46.472 1.00 57.86 0.138 C +ATOM 2807 NE ARG A 298 -32.345 16.073 46.226 1.00 54.95 -0.227 N +ATOM 2808 HE ARG A 298 -32.279 16.835 45.551 1.00 0.00 0.177 HD +ATOM 2809 CZ ARG A 298 -31.228 15.674 46.826 1.00 55.85 0.665 C +ATOM 2810 NH1 ARG A 298 -31.264 14.684 47.709 1.00 53.66 -0.235 N +ATOM 2811 1HH1 ARG A 298 -30.407 14.378 48.169 1.00 0.00 0.174 HD +ATOM 2812 2HH1 ARG A 298 -32.152 14.230 47.925 1.00 0.00 0.174 HD +ATOM 2813 NH2 ARG A 298 -30.074 16.264 46.545 1.00 43.01 -0.235 N +ATOM 2814 1HH2 ARG A 298 -29.217 15.958 47.005 1.00 0.00 0.174 HD +ATOM 2815 2HH2 ARG A 298 -30.046 17.025 45.866 1.00 0.00 0.174 HD +ATOM 2816 N GLN A 299 -35.053 11.819 43.113 1.00 53.74 -0.346 N +ATOM 2817 HN GLN A 299 -35.419 11.101 43.738 1.00 0.00 0.163 HD +ATOM 2818 CA GLN A 299 -34.139 11.428 42.050 1.00 49.75 0.177 C +ATOM 2819 C GLN A 299 -34.768 10.576 40.954 1.00 52.89 0.241 C +ATOM 2820 O GLN A 299 -34.167 10.449 39.884 1.00 57.18 -0.271 OA +ATOM 2821 CB GLN A 299 -32.947 10.655 42.635 1.00 46.73 0.044 C +ATOM 2822 CG GLN A 299 -31.643 11.431 42.674 1.00 41.40 0.105 C +ATOM 2823 CD GLN A 299 -30.438 10.526 42.853 1.00 41.78 0.215 C +ATOM 2824 NE2 GLN A 299 -30.087 10.248 44.104 1.00 37.06 -0.370 N +ATOM 2825 1HE2 GLN A 299 -29.277 9.640 44.224 1.00 0.00 0.159 HD +ATOM 2826 2HE2 GLN A 299 -30.591 10.616 44.911 1.00 0.00 0.159 HD +ATOM 2827 OE1 GLN A 299 -29.830 10.082 41.879 1.00 37.77 -0.274 OA +ATOM 2828 N CYS A 300 -35.950 9.995 41.181 1.00 53.23 -0.345 N +ATOM 2829 HN CYS A 300 -36.502 10.278 41.991 1.00 0.00 0.163 HD +ATOM 2830 CA CYS A 300 -36.463 8.962 40.288 1.00 54.39 0.186 C +ATOM 2831 C CYS A 300 -37.876 9.184 39.762 1.00 66.24 0.242 C +ATOM 2832 O CYS A 300 -38.303 8.426 38.886 1.00 64.02 -0.271 OA +ATOM 2833 CB CYS A 300 -36.423 7.591 40.983 1.00 55.59 0.120 C +ATOM 2834 SG CYS A 300 -34.767 7.016 41.416 1.00 58.53 -0.095 SA +ATOM 2835 N SER A 301 -38.616 10.177 40.253 1.00 63.98 -0.344 N +ATOM 2836 HN SER A 301 -38.213 10.823 40.931 1.00 0.00 0.163 HD +ATOM 2837 CA SER A 301 -40.000 10.343 39.824 1.00 68.50 0.200 C +ATOM 2838 C SER A 301 -40.132 10.916 38.418 1.00 66.76 0.242 C +ATOM 2839 O SER A 301 -41.234 10.888 37.858 1.00 67.80 -0.271 OA +ATOM 2840 CB SER A 301 -40.761 11.225 40.816 1.00 66.83 0.199 C +ATOM 2841 OG SER A 301 -41.110 10.491 41.978 1.00 66.17 -0.398 OA +ATOM 2842 HG SER A 301 -41.582 11.039 42.594 1.00 0.00 0.209 HD +ATOM 2843 N GLY A 302 -39.050 11.428 37.837 1.00 66.59 -0.350 N +ATOM 2844 HN GLY A 302 -38.184 11.505 38.370 1.00 0.00 0.163 HD +ATOM 2845 CA GLY A 302 -39.082 11.879 36.459 1.00 70.74 0.225 C +ATOM 2846 C GLY A 302 -38.753 10.763 35.488 1.00 70.30 0.236 C +ATOM 2847 O GLY A 302 -38.308 11.013 34.363 1.00 72.05 -0.272 OA +ATOM 2848 N VAL A 303 -38.967 9.520 35.922 1.00 70.54 -0.346 N +ATOM 2849 HN VAL A 303 -39.360 9.396 36.855 1.00 0.00 0.163 HD +ATOM 2850 CA VAL A 303 -38.671 8.330 35.137 1.00 70.96 0.180 C +ATOM 2851 C VAL A 303 -39.919 7.456 35.097 1.00 71.79 0.241 C +ATOM 2852 O VAL A 303 -40.791 7.537 35.964 1.00 75.15 -0.271 OA +ATOM 2853 CB VAL A 303 -37.475 7.536 35.717 1.00 71.23 0.009 C +ATOM 2854 CG1 VAL A 303 -36.869 6.615 34.672 1.00 65.59 0.012 C +ATOM 2855 CG2 VAL A 303 -36.415 8.479 36.278 1.00 67.41 0.012 C +ATOM 2856 N THR A 304 -40.002 6.614 34.069 1.00 78.33 -0.344 N +ATOM 2857 HN THR A 304 -39.342 6.687 33.295 1.00 0.00 0.163 HD +ATOM 2858 CA THR A 304 -41.037 5.589 34.051 1.00 83.04 0.205 C +ATOM 2859 C THR A 304 -40.429 4.204 33.814 1.00 78.65 0.243 C +ATOM 2860 O THR A 304 -40.511 3.349 34.700 1.00 79.54 -0.271 OA +ATOM 2861 CB THR A 304 -42.140 5.955 33.037 1.00 83.63 0.146 C +ATOM 2862 CG2 THR A 304 -41.611 6.143 31.607 1.00 79.08 0.042 C +ATOM 2863 OG1 THR A 304 -43.200 4.988 33.088 1.00 85.88 -0.393 OA +ATOM 2864 HG1 THR A 304 -43.879 5.213 32.463 1.00 0.00 0.210 HD +ATOM 2865 N PHE A 305 -39.779 3.983 32.668 1.00 77.77 -0.346 N +ATOM 2866 HN PHE A 305 -39.736 4.736 31.981 1.00 0.00 0.163 HD +ATOM 2867 CA PHE A 305 -39.123 2.709 32.349 1.00 80.32 0.180 C +ATOM 2868 C PHE A 305 -40.037 1.518 32.626 1.00 79.61 0.241 C +ATOM 2869 O PHE A 305 -39.623 0.503 33.191 1.00 76.29 -0.271 OA +ATOM 2870 CB PHE A 305 -37.799 2.567 33.104 1.00 75.88 0.073 C +ATOM 2871 CG PHE A 305 -36.716 1.894 32.306 1.00 75.68 -0.056 A +ATOM 2872 CD1 PHE A 305 -36.485 2.260 30.994 1.00 79.28 0.007 A +ATOM 2873 CD2 PHE A 305 -35.930 0.902 32.865 1.00 71.73 0.007 A +ATOM 2874 CE1 PHE A 305 -35.492 1.649 30.250 1.00 79.40 0.001 A +ATOM 2875 CE2 PHE A 305 -34.931 0.285 32.126 1.00 73.41 0.001 A +ATOM 2876 CZ PHE A 305 -34.712 0.661 30.818 1.00 75.84 0.000 A +ATOM 2877 N GLN A 306 -41.298 1.653 32.232 1.00 80.67 -0.348 N +ATOM 2878 HN GLN A 306 -41.578 2.517 31.768 1.00 0.00 0.163 HD +ATOM 2879 CA GLN A 306 -42.296 0.612 32.439 1.00 77.22 0.146 C +ATOM 2880 C GLN A 306 -42.032 -0.599 31.550 1.00 70.87 0.256 C +ATOM 2881 O GLN A 306 -42.774 -1.581 31.583 1.00 68.39 -0.305 OA +ATOM 2882 CB GLN A 306 -43.702 1.159 32.175 1.00 77.17 0.041 C +ATOM 2883 CG GLN A 306 -44.077 1.275 30.699 1.00 78.18 0.105 C +ATOM 2884 CD GLN A 306 -43.097 2.109 29.893 1.00 78.00 0.215 C +ATOM 2885 NE2 GLN A 306 -42.864 1.710 28.648 1.00 71.18 -0.370 N +ATOM 2886 1HE2 GLN A 306 -42.206 2.270 28.107 1.00 0.00 0.159 HD +ATOM 2887 2HE2 GLN A 306 -43.311 0.889 28.240 1.00 0.00 0.159 HD +ATOM 2888 OE1 GLN A 306 -42.557 3.100 30.385 1.00 83.17 -0.274 OA +TER 2889 GLN A 306 diff --git a/tests/files/6LU7.txt b/tests/files/6LU7.txt new file mode 100644 index 0000000..d43639e --- /dev/null +++ b/tests/files/6LU7.txt @@ -0,0 +1,7 @@ +receptor=./targets/6LU7.pdbqt +center_x=-9.7 +center_y=11.4 +center_z=68.9 +size_x=19.3 +size_y=29.9 +size_z=21.3 diff --git a/tests/files/Eucalyptol.pdbqt b/tests/files/Eucalyptol.pdbqt new file mode 100644 index 0000000..a92914a --- /dev/null +++ b/tests/files/Eucalyptol.pdbqt @@ -0,0 +1,22 @@ +REMARK Name = +REMARK 3 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C_1 and C_2 +REMARK 2 A between atoms: C_2 and C_11 +REMARK 3 A between atoms: C_6 and C_10 +REMARK x y z vdW Elec q Type +REMARK _______ _______ _______ _____ _____ ______ ____ +ROOT +ATOM 1 C UNL 1 0.937 -0.135 -0.034 0.00 0.00 +0.000 C +ATOM 2 C UNL 1 2.469 -0.028 0.003 0.00 0.00 +0.000 C +ATOM 3 C UNL 1 2.954 1.145 0.903 0.00 0.00 +0.000 C +ATOM 4 C UNL 1 2.482 0.909 2.351 0.00 0.00 +0.000 C +ATOM 5 C UNL 1 2.921 -0.490 2.797 0.00 0.00 +0.000 C +ATOM 6 C UNL 1 3.781 -1.141 1.697 0.00 0.00 +0.000 C +ATOM 7 O UNL 1 2.972 -1.282 0.511 0.00 0.00 +0.000 OA +ATOM 8 C UNL 1 4.986 -0.243 1.358 0.00 0.00 +0.000 C +ATOM 9 C UNL 1 4.494 1.151 0.952 0.00 0.00 +0.000 C +ATOM 10 C UNL 1 4.237 -2.536 2.112 0.00 0.00 +0.000 C +ATOM 11 C UNL 1 2.966 0.109 -1.444 0.00 0.00 +0.000 C +ENDROOT +TORSDOF 0 -- cgit v1.2.3