Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 VAL 1.A O no hydrogen 3.075 N/A ARG 8.A N GLU 5.A O no hydrogen 2.615 N/A GLU 10.A N GLU 6.A O no hydrogen 3.053 N/A GLY 11.A N ILE 7.A O no hydrogen 3.305 N/A ASN 12.A N ARG 8.A O no hydrogen 2.652 N/A ALA 13.A N ASP 9.A O no hydrogen 2.747 N/A ALA 14.A N GLU 10.A O no hydrogen 3.142 N/A VAL 15.A N GLY 11.A O no hydrogen 2.686 N/A LYS 16.A N ASN 12.A O no hydrogen 3.235 N/A ASP 17.A N ALA 13.A O no hydrogen 2.823 N/A GLN 18.A N ALA 14.A O no hydrogen 2.781 N/A GLN 18.A NE2 TYR 20.A OH no hydrogen 3.167 N/A ASP 19.A N ALA 14.A O no hydrogen 3.210 N/A LYS 22.A N ASP 19.A OD2 no hydrogen 3.034 N/A ALA 23.A N ASP 19.A O no hydrogen 2.603 N/A ASP 24.A N TYR 20.A O no hydrogen 2.611 N/A GLU 25.A N ILE 21.A O no hydrogen 3.169 N/A LEU 26.A N LYS 22.A O no hydrogen 2.552 N/A TYR 27.A N ALA 23.A O no hydrogen 2.734 N/A THR 28.A N ASP 24.A O no hydrogen 2.947 N/A THR 28.A OG1 ASP 24.A O no hydrogen 2.641 N/A THR 28.A OG1 ASP 24.A OD2 no hydrogen 3.348 N/A GLU 29.A N GLU 25.A O no hydrogen 2.648 N/A ALA 30.A N LEU 26.A O no hydrogen 2.605 N/A LEU 31.A N TYR 27.A O no hydrogen 2.481 N/A GLN 32.A N THR 28.A O no hydrogen 3.096 N/A LEU 33.A N ALA 30.A O no hydrogen 2.773 N/A THR 34.A OG1 THR 35.A O no hydrogen 3.475 N/A THR 34.A OG1 ASP 38.A OD2 no hydrogen 3.352 N/A THR 35.A N THR 34.A OG1 no hydrogen 2.565 N/A LEU 41.A N ASP 38.A O no hydrogen 2.950 N/A ARG 42.A N LYS 39.A O no hydrogen 2.804 N/A LEU 45.A N ARG 42.A O no hydrogen 2.326 N/A TYR 46.A N ARG 42.A O no hydrogen 3.271 N/A TYR 46.A OH GLU 268.A OE2 no hydrogen 3.113 N/A ARG 47.A N PRO 43.A O no hydrogen 2.984 N/A ARG 47.A NE ASP 75.A OD2 no hydrogen 3.375 N/A ARG 47.A NH2 ASP 75.A OD2 no hydrogen 3.082 N/A ASN 48.A N VAL 44.A O no hydrogen 3.075 N/A ARG 49.A N LEU 45.A O no hydrogen 2.653 N/A ARG 49.A NH1 ASP 266.A OD2 no hydrogen 2.565 N/A ALA 50.A N TYR 46.A O no hydrogen 2.848 N/A ARG 52.A N ARG 49.A O no hydrogen 2.634 N/A ARG 52.A NH1 ASP 24.A OD2 no hydrogen 2.842 N/A LEU 53.A N ALA 50.A O no hydrogen 2.946 N/A ARG 55.A N ALA 51.A O no hydrogen 2.699 N/A ARG 55.A NE ASP 24.A OD1 no hydrogen 2.933 N/A ASP 56.A N LEU 53.A O no hydrogen 3.321 N/A ASP 57.A N ARG 52.A O no hydrogen 2.800 N/A ALA 61.A N ASP 57.A O no hydrogen 2.459 N/A GLN 62.A N PHE 58.A O no hydrogen 2.766 N/A SER 63.A N GLU 59.A O no hydrogen 3.274 N/A ASP 64.A N GLY 60.A O no hydrogen 2.762 N/A CYS 65.A N ALA 61.A O no hydrogen 2.721 N/A CYS 65.A SG ALA 78.A O no hydrogen 2.902 N/A THR 66.A N GLN 62.A O no hydrogen 2.823 N/A THR 66.A OG1 GLU 70.A OE1 no hydrogen 3.471 N/A LYS 67.A N SER 63.A O no hydrogen 3.009 N/A ALA 68.A N CYS 65.A O no hydrogen 2.548 N/A LEU 69.A N CYS 65.A O no hydrogen 3.111 N/A GLU 70.A N THR 66.A O no hydrogen 3.023 N/A PHE 71.A N ALA 68.A O no hydrogen 2.850 N/A ALA 74.A N ASP 72.A OD2 no hydrogen 2.720 N/A ALA 78.A N ASP 75.A OD1 no hydrogen 2.833 N/A LEU 79.A N ASP 75.A O no hydrogen 3.275 N/A PHE 80.A N VAL 76.A O no hydrogen 2.969 N/A ARG 81.A N LYS 77.A O no hydrogen 3.259 N/A ARG 82.A N ALA 78.A O no hydrogen 2.901 N/A SER 83.A N LEU 79.A O no hydrogen 3.169 N/A SER 83.A OG LEU 79.A O no hydrogen 2.827 N/A SER 83.A OG PHE 80.A O no hydrogen 2.536 N/A LEU 84.A N PHE 80.A O no hydrogen 2.856 N/A ALA 85.A N ARG 81.A O no hydrogen 2.632 N/A ARG 86.A N ARG 82.A O no hydrogen 2.535 N/A GLU 87.A N SER 83.A O no hydrogen 2.958 N/A GLN 88.A N ALA 85.A O no hydrogen 2.503 N/A GLN 88.A NE2 GLN 88.A O no hydrogen 3.321 N/A LEU 89.A N ALA 85.A O no hydrogen 3.124 N/A LEU 89.A N ARG 86.A O no hydrogen 2.860 N/A ASN 91.A N ARG 86.A O no hydrogen 3.256 N/A PHE 96.A N VAL 92.A O no hydrogen 3.250 N/A PHE 96.A N GLY 93.A O no hydrogen 2.971 N/A ALA 99.A N ALA 95.A O no hydrogen 3.282 N/A LYS 100.A N PHE 96.A O no hydrogen 2.456 N/A ALA 102.A N ASP 98.A O no hydrogen 2.629 N/A LEU 103.A N ALA 99.A O no hydrogen 2.989 N/A ARG 104.A N LYS 100.A O no hydrogen 3.374 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 3.077 N/A LEU 105.A N ALA 102.A O no hydrogen 2.742 N/A SER 106.A N ALA 102.A O no hydrogen 3.100 N/A SER 106.A N LEU 103.A O no hydrogen 3.180 N/A SER 106.A OG SER 106.A O no hydrogen 2.572 N/A SER 106.A OG ASN 108.A O no hydrogen 3.076 N/A SER 106.A OG ASP 109.A OD2 no hydrogen 3.300 N/A GLY 111.A N ASP 109.A OD1 no hydrogen 3.060 N/A ILE 112.A N ASP 109.A OD1 no hydrogen 3.081 N/A VAL 113.A N ASP 109.A O no hydrogen 3.070 N/A GLU 114.A N LYS 110.A O no hydrogen 2.847 N/A VAL 115.A N GLY 111.A O no hydrogen 3.020 N/A LEU 116.A N ILE 112.A O no hydrogen 3.064 N/A GLN 117.A N VAL 113.A O no hydrogen 2.925 N/A LEU 119.A N VAL 115.A O no hydrogen 2.798 N/A VAL 120.A N LEU 116.A O no hydrogen 2.904 N/A LYS 121.A N GLN 117.A O no hydrogen 3.414 N/A ALA 122.A N ARG 118.A O no hydrogen 2.936 N/A ASN 123.A N LEU 119.A O no hydrogen 2.819 N/A ASN 124.A N VAL 120.A O no hydrogen 3.353 N/A ASP 125.A N LYS 121.A O no hydrogen 3.456 N/A GLN 129.A N LYS 126.A O no hydrogen 2.447 N/A THR 130.A N LYS 126.A O no hydrogen 2.805 N/A THR 130.A OG1 ILE 127.A O no hydrogen 3.560 N/A THR 131.A OG1 ILE 127.A O no hydrogen 2.958 N/A SER 132.A N GLN 129.A O no hydrogen 3.195 N/A LEU 133.A N THR 130.A O no hydrogen 2.679 N/A ALA 134.A N THR 130.A O no hydrogen 2.864 N/A LYS 136.A N SER 132.A O no hydrogen 3.249 N/A VAL 137.A N LEU 133.A O no hydrogen 2.594 N/A THR 138.A N ALA 134.A O no hydrogen 2.851 N/A THR 138.A OG1 ALA 134.A O no hydrogen 3.290 N/A ASP 139.A N ASN 135.A O no hydrogen 2.945 N/A LYS 154.A NZ GLU 193.A OE1 no hydrogen 2.699 N/A LYS 154.A NZ GLU 193.A OE2 no hydrogen 3.442 N/A THR 155.A OG1 GLU 152.A O no hydrogen 3.449 N/A THR 155.A OG1 GLN 153.A O no hydrogen 2.428 N/A ALA 156.A N GLN 153.A O no hydrogen 2.719 N/A ASN 159.A N THR 155.A O no hydrogen 3.083 N/A LEU 161.A N LEU 157.A O no hydrogen 3.011 N/A VAL 162.A N ASN 158.A O no hydrogen 2.530 N/A LEU 163.A N ASN 159.A O no hydrogen 2.510 N/A CYS 164.A SG ILE 204.A O no hydrogen 3.550 N/A ARG 165.A N LEU 161.A O no hydrogen 3.111 N/A GLU 166.A N VAL 162.A O no hydrogen 2.936 N/A SER 167.A OG GLU 166.A OE2 no hydrogen 3.439 N/A GLY 170.A N SER 167.A OG no hydrogen 2.583 N/A ALA 171.A N SER 167.A O no hydrogen 3.110 N/A THR 172.A OG1 GLU 168.A O no hydrogen 3.032 N/A THR 172.A OG1 SER 169.A O no hydrogen 3.414 N/A GLY 173.A N SER 169.A O no hydrogen 2.956 N/A VAL 174.A N GLY 170.A O no hydrogen 2.869 N/A VAL 174.A N ALA 171.A O no hydrogen 2.783 N/A TRP 175.A N ALA 171.A O no hydrogen 2.764 N/A ASN 176.A N THR 172.A O no hydrogen 3.250 N/A GLY 178.A N TRP 175.A O no hydrogen 3.011 N/A ALA 179.A N ASN 176.A O no hydrogen 3.289 N/A LEU 180.A N TRP 175.A O no hydrogen 3.396 N/A VAL 181.A N GLY 178.A O no hydrogen 2.831 N/A VAL 184.A N LEU 180.A O no hydrogen 2.859 N/A LEU 185.A N VAL 181.A O no hydrogen 2.819 N/A ASN 186.A N PRO 182.A O no hydrogen 3.141 N/A LEU 187.A N VAL 184.A O no hydrogen 2.687 N/A ILE 188.A N VAL 184.A O no hydrogen 3.061 N/A ASN 189.A N LEU 185.A O no hydrogen 2.854 N/A ASP 190.A N LEU 187.A O no hydrogen 3.343 N/A SER 192.A OG ASP 190.A OD1 no hydrogen 2.547 N/A GLU 193.A N ASP 190.A OD1 no hydrogen 2.848 N/A VAL 197.A N ASN 194.A OD1 no hydrogen 3.241 N/A THR 198.A N ASN 194.A O no hydrogen 3.107 N/A THR 198.A OG1 ASN 194.A O no hydrogen 3.143 N/A VAL 199.A N GLU 195.A O no hydrogen 2.643 N/A THR 200.A N GLU 196.A O no hydrogen 2.644 N/A THR 200.A OG1 GLU 196.A O no hydrogen 3.072 N/A ALA 201.A N VAL 197.A O no hydrogen 2.810 N/A ILE 202.A N THR 198.A O no hydrogen 2.868 N/A ILE 202.A N VAL 199.A O no hydrogen 2.785 N/A ARG 203.A N VAL 199.A O no hydrogen 2.860 N/A ILE 204.A N THR 200.A O no hydrogen 3.031 N/A LEU 205.A N ALA 201.A O no hydrogen 3.446 N/A ASP 206.A N ILE 202.A O no hydrogen 2.419 N/A GLU 207.A N ARG 203.A O no hydrogen 3.245 N/A THR 208.A N ILE 204.A O no hydrogen 2.993 N/A THR 208.A OG1 LEU 205.A O no hydrogen 2.372 N/A ILE 209.A N LEU 205.A O no hydrogen 3.089 N/A LYS 210.A N GLU 207.A O no hydrogen 2.702 N/A LYS 210.A NZ GLU 207.A OE1 no hydrogen 3.434 N/A LYS 210.A NZ GLU 207.A OE2 no hydrogen 3.317 N/A VAL 213.A N GLU 59.A OE1 no hydrogen 3.367 N/A ARG 214.A NH1 THR 208.A O no hydrogen 2.637 N/A ARG 214.A NH2 THR 172.A OG1 no hydrogen 2.904 N/A CYS 215.A N ASN 211.A O no hydrogen 2.707 N/A CYS 215.A SG ILE 209.A O no hydrogen 2.879 N/A PHE 217.A N ARG 214.A O no hydrogen 2.965 N/A LEU 218.A N CYS 215.A O no hydrogen 3.082 N/A ASP 223.A N ASP 221.A OD1 no hydrogen 2.701 N/A LYS 226.A N ASP 223.A OD1 no hydrogen 2.731 N/A SER 227.A N ASP 223.A O no hydrogen 3.324 N/A SER 227.A N GLY 224.A O no hydrogen 2.712 N/A SER 227.A OG LEU 218.A O no hydrogen 2.685 N/A VAL 228.A N GLY 224.A O no hydrogen 3.236 N/A ARG 229.A N PRO 225.A O no hydrogen 3.181 N/A ARG 229.A N LYS 226.A O no hydrogen 3.131 N/A PHE 230.A N LYS 226.A O no hydrogen 3.162 N/A VAL 231.A N SER 227.A O no hydrogen 3.069 N/A CYS 232.A N VAL 228.A O no hydrogen 3.463 N/A CYS 232.A SG VAL 228.A O no hydrogen 3.131 N/A ARG 233.A N ARG 229.A O no hydrogen 2.900 N/A ARG 233.A NH2 ASP 289.A OD1 no hydrogen 3.566 N/A LEU 234.A N VAL 231.A O no hydrogen 2.800 N/A LYS 236.A N LEU 234.A O no hydrogen 3.041 N/A LYS 236.A NZ ASN 189.A OD1 no hydrogen 2.797 N/A LYS 237.A NZ THR 198.A OG1 no hydrogen 3.178 N/A THR 239.A OG1 GLU 195.A OE1 no hydrogen 2.505 N/A PHE 242.A N THR 239.A OG1 no hydrogen 3.091 N/A VAL 243.A N THR 239.A O no hydrogen 3.115 N/A ASP 244.A N LYS 240.A O no hydrogen 2.979 N/A ALA 245.A N ASP 241.A O no hydrogen 2.697 N/A THR 246.A N PHE 242.A O no hydrogen 3.194 N/A THR 246.A OG1 PHE 242.A O no hydrogen 2.527 N/A GLY 247.A N VAL 243.A O no hydrogen 2.890 N/A ILE 248.A N ASP 244.A O no hydrogen 3.450 N/A LEU 249.A N THR 246.A O no hydrogen 2.640 N/A VAL 250.A N THR 246.A O no hydrogen 3.366 N/A GLN 251.A N GLY 247.A O no hydrogen 2.534 N/A ARG 252.A N ILE 248.A O no hydrogen 2.636 N/A ARG 252.A NH1 ASP 206.A OD1 no hydrogen 2.413 N/A VAL 253.A N LEU 249.A O no hydrogen 3.189 N/A PHE 254.A N VAL 250.A O no hydrogen 3.387 N/A PHE 254.A N GLN 251.A O no hydrogen 2.616 N/A ASN 255.A N GLN 251.A O no hydrogen 3.132 N/A ALA 256.A N ARG 252.A O no hydrogen 2.665 N/A LYS 258.A N ALA 256.A O no hydrogen 3.371 N/A LYS 258.A NZ ASP 57.A OD1 no hydrogen 2.766 N/A LYS 258.A NZ ASP 57.A OD2 no hydrogen 2.734 N/A ARG 260.A NE GLY 311.A O no hydrogen 2.993 N/A GLN 261.A N ASP 259.A OD1 no hydrogen 2.860 N/A LYS 262.A N ASP 259.A O no hydrogen 3.300 N/A ASP 266.A N ALA 257.A O no hydrogen 3.250 N/A GLU 268.A N ASP 266.A OD1 no hydrogen 2.702 N/A VAL 269.A N ASP 266.A OD1 no hydrogen 3.322 N/A ALA 270.A N ASP 266.A O no hydrogen 3.460 N/A GLU 271.A N PRO 267.A O no hydrogen 3.159 N/A ALA 272.A N GLU 268.A O no hydrogen 2.628 N/A ALA 272.A N VAL 269.A O no hydrogen 2.586 N/A ASN 273.A N VAL 269.A O no hydrogen 3.084 N/A ILE 278.A N LYS 274.A O no hydrogen 3.037 N/A ARG 279.A N ILE 275.A O no hydrogen 3.427 N/A VAL 280.A N TRP 276.A O no hydrogen 3.049 N/A LEU 281.A N ILE 277.A O no hydrogen 3.331 N/A LEU 282.A N ILE 278.A O no hydrogen 2.975 N/A GLU 283.A N ARG 279.A O no hydrogen 3.035 N/A LEU 284.A N VAL 280.A O no hydrogen 2.851 N/A GLN 285.A N LEU 281.A O no hydrogen 2.612 N/A GLU 286.A N LEU 282.A O no hydrogen 2.740 N/A GLN 288.A NE2 TYR 343.A OH no hydrogen 3.472 N/A ASP 289.A N GLU 286.A O no hydrogen 3.426 N/A LYS 291.A N ASP 289.A OD2 no hydrogen 2.576 N/A VAL 292.A N ASP 289.A O no hydrogen 2.691 N/A GLN 296.A N GLN 296.A OE1 no hydrogen 2.950 N/A GLN 296.A NE2 LYS 237.A O no hydrogen 3.609 N/A ARG 297.A N GLY 293.A O no hydrogen 3.181 N/A ARG 297.A NE LEU 287.A O no hydrogen 2.897 N/A ARG 297.A NH1 VAL 292.A O no hydrogen 2.879 N/A ARG 297.A NH1 PRO 344.A O no hydrogen 3.099 N/A ARG 297.A NH2 ASP 289.A O no hydrogen 3.030 N/A GLU 298.A N ALA 294.A O no hydrogen 2.715 N/A THR 299.A N VAL 295.A O no hydrogen 2.905 N/A THR 299.A OG1 VAL 295.A O no hydrogen 3.460 N/A CYS 300.A N GLN 296.A O no hydrogen 3.000 N/A CYS 300.A SG GLN 296.A O no hydrogen 3.539 N/A ILE 301.A N GLU 298.A O no hydrogen 3.222 N/A ASP 302.A N GLU 298.A O no hydrogen 3.309 N/A LEU 303.A N THR 299.A O no hydrogen 2.766 N/A PHE 304.A N CYS 300.A O no hydrogen 3.258 N/A LEU 305.A N ILE 301.A O no hydrogen 2.764 N/A LYS 306.A N ASP 302.A O no hydrogen 2.709 N/A ASN 307.A N LEU 303.A O no hydrogen 3.386 N/A ASN 307.A ND2 GLN 251.A OE1 no hydrogen 2.653 N/A LEU 308.A N LEU 305.A O no hydrogen 3.491 N/A HIS 309.A N ASP 363.A OD2 no hydrogen 3.205 N/A ILE 313.A N ASN 307.A O no hydrogen 3.226 N/A ARG 315.A NE HIS 309.A NE2 no hydrogen 2.813 N/A SER 318.A OG ASP 363.A OD1 no hydrogen 2.721 N/A LYS 320.A N GLY 316.A O no hydrogen 3.409 N/A LYS 320.A NZ GLU 324.A OE1 no hydrogen 3.397 N/A PHE 321.A N TRP 317.A O no hydrogen 3.066 N/A VAL 322.A N TRP 319.A O no hydrogen 2.835 N/A GLU 323.A N TRP 319.A O no hydrogen 2.729 N/A LEU 327.A N PHE 321.A O no hydrogen 2.763 N/A ALA 329.A N ARG 325.A O no hydrogen 2.901 N/A LEU 330.A N LEU 327.A O no hydrogen 2.618 N/A LEU 331.A N LEU 327.A O no hydrogen 2.832 N/A LEU 331.A N LEU 328.A O no hydrogen 2.737 N/A ASP 332.A N LEU 328.A O no hydrogen 2.810 N/A SER 335.A OG LEU 331.A O no hydrogen 3.165 N/A ILE 337.A N LEU 340.A O no hydrogen 3.351 N/A LEU 340.A N ILE 337.A O no hydrogen 3.302 N/A TYR 343.A OH ASP 332.A OD2 no hydrogen 2.680 N/A SER 346.A N THR 349.A OG1 no hydrogen 2.718 N/A GLU 348.A N SER 346.A OG no hydrogen 3.380 N/A THR 349.A OG1 SER 346.A O no hydrogen 2.866 N/A ARG 350.A NH1 ALA 334.A O no hydrogen 3.400 N/A ARG 350.A NH1 THR 405.A OG1 no hydrogen 2.940 N/A GLN 351.A N GLN 351.A OE1 no hydrogen 2.800 N/A GLN 351.A NE2 ALA 551.A O no hydrogen 2.468 N/A VAL 353.A N ARG 350.A O no hydrogen 2.615 N/A ALA 354.A N ARG 350.A O no hydrogen 2.868 N/A ALA 354.A N GLN 351.A O no hydrogen 2.638 N/A CYS 356.A SG ILE 301.A O no hydrogen 3.746 N/A LEU 357.A N VAL 353.A O no hydrogen 3.260 N/A LEU 357.A N ALA 354.A O no hydrogen 2.542 N/A GLN 358.A N ALA 354.A O no hydrogen 2.876 N/A ARG 359.A N ILE 355.A O no hydrogen 2.903 N/A LEU 360.A N CYS 356.A O no hydrogen 3.348 N/A GLU 361.A N LEU 357.A O no hydrogen 2.848 N/A GLU 362.A N GLN 358.A O no hydrogen 3.085 N/A ASP 363.A N ARG 359.A O no hydrogen 2.595 N/A LYS 368.A NZ GLU 323.A OE1 no hydrogen 3.368 N/A ARG 369.A N PHE 365.A O no hydrogen 2.735 N/A THR 370.A N ASP 366.A O no hydrogen 3.075 N/A THR 370.A OG1 ASP 366.A O no hydrogen 3.065 N/A ILE 371.A N THR 367.A O no hydrogen 3.501 N/A PHE 372.A N LYS 368.A O no hydrogen 2.906 N/A PHE 372.A N ARG 369.A O no hydrogen 3.238 N/A LYS 373.A N ARG 369.A O no hydrogen 2.831 N/A GLU 374.A N THR 370.A O no hydrogen 2.589 N/A VAL 376.A N PHE 372.A O no hydrogen 2.987 N/A ASP 377.A N LYS 373.A O no hydrogen 2.884 N/A PHE 379.A N VAL 376.A O no hydrogen 2.920 N/A ASN 380.A N ASP 377.A O no hydrogen 2.973 N/A LEU 382.A N PHE 378.A O no hydrogen 2.878 N/A ILE 383.A N PHE 379.A O no hydrogen 3.017 N/A SER 384.A N ASN 380.A O no hydrogen 2.870 N/A SER 384.A OG ASN 380.A O no hydrogen 3.296 N/A ARG 385.A N ILE 383.A O no hydrogen 2.415 N/A ARG 385.A NE ALA 381.A O no hydrogen 3.475 N/A CYS 386.A N ILE 383.A O no hydrogen 2.734 N/A CYS 386.A SG LEU 382.A O no hydrogen 3.484 N/A CYS 386.A SG ILE 383.A O no hydrogen 3.229 N/A THR 387.A OG1 ASP 389.A OD1 no hydrogen 2.286 N/A GLY 392.A N ASP 389.A OD2 no hydrogen 2.935 N/A HIS 393.A N ASP 389.A O no hydrogen 3.004 N/A LYS 394.A N GLU 391.A O no hydrogen 2.631 N/A ARG 396.A N HIS 393.A O no hydrogen 3.027 N/A ARG 396.A NE CYS 386.A O no hydrogen 2.834 N/A ARG 396.A NH2 CYS 386.A O no hydrogen 3.506 N/A ILE 397.A N HIS 393.A O no hydrogen 3.371 N/A ILE 397.A N LYS 394.A O no hydrogen 2.857 N/A LYS 398.A N LYS 394.A O no hydrogen 3.126 N/A LYS 398.A NZ GLU 342.A OE2 no hydrogen 2.731 N/A LEU 399.A N TYR 395.A O no hydrogen 2.764 N/A SER 400.A N ARG 396.A O no hydrogen 2.856 N/A SER 400.A OG ILE 437.A O no hydrogen 3.007 N/A CYS 401.A N ILE 397.A O no hydrogen 2.876 N/A CYS 401.A SG ILE 397.A O no hydrogen 3.309 N/A PHE 402.A N LYS 398.A O no hydrogen 2.752 N/A LEU 403.A N SER 400.A O no hydrogen 2.719 N/A ILE 404.A N SER 400.A O no hydrogen 3.008 N/A THR 405.A N CYS 401.A O no hydrogen 3.002 N/A THR 405.A OG1 ALA 334.A O no hydrogen 2.785 N/A THR 405.A OG1 CYS 401.A O no hydrogen 3.303 N/A GLY 408.A N THR 405.A O no hydrogen 2.815 N/A VAL 410.A N GLY 408.A O no hydrogen 2.532 N/A ILE 412.A N PRO 409.A O no hydrogen 2.680 N/A ILE 414.A N VAL 410.A O no hydrogen 2.555 N/A ASN 415.A N ASP 411.A O no hydrogen 2.840 N/A ILE 417.A N GLY 413.A O no hydrogen 3.299 N/A ASN 419.A N LEU 416.A O no hydrogen 3.335 N/A LEU 422.A N ASN 419.A O no hydrogen 3.181 N/A GLU 427.A N PRO 424.A O no hydrogen 2.708 N/A ALA 429.A N LEU 426.A O no hydrogen 2.824 N/A ALA 429.A N GLU 427.A O no hydrogen 3.100 N/A SER 430.A N GLU 427.A O no hydrogen 3.016 N/A GLN 431.A N SER 430.A OG no hydrogen 2.502 N/A HIS 433.A ND1 GLN 435.A OE1 no hydrogen 3.315 N/A GLN 435.A NE2 SER 430.A O no hydrogen 3.378 N/A GLY 436.A N HIS 433.A O no hydrogen 2.897 N/A ILE 437.A N LEU 434.A O no hydrogen 2.917 N/A LEU 441.A N ALA 438.A O no hydrogen 3.288 N/A ALA 444.A N GLU 440.A O no hydrogen 3.087 N/A THR 445.A N ILE 442.A O no hydrogen 2.447 N/A THR 445.A OG1 LEU 441.A O no hydrogen 2.587 N/A SER 447.A OG THR 445.A O no hydrogen 3.450 N/A SER 447.A OG VAL 446.A O no hydrogen 2.554 N/A LYS 456.A N ILE 453.A O no hydrogen 2.900 N/A LYS 456.A NZ LYS 456.A O no hydrogen 2.881 N/A ILE 459.A N LEU 455.A O no hydrogen 2.812 N/A VAL 461.A N VAL 457.A O no hydrogen 3.291 N/A LEU 462.A N GLY 458.A O no hydrogen 3.120 N/A ARG 463.A N ILE 459.A O no hydrogen 3.295 N/A ALA 464.A N PRO 460.A O no hydrogen 3.156 N/A LEU 465.A N VAL 461.A O no hydrogen 2.873 N/A TYR 466.A N LEU 462.A O no hydrogen 2.663 N/A ASP 467.A N ALA 464.A O no hydrogen 3.017 N/A SER 468.A N LEU 465.A O no hydrogen 3.093 N/A ASP 470.A N SER 468.A OG no hydrogen 3.038 N/A LYS 474.A N ASP 470.A O no hydrogen 2.869 N/A LYS 474.A NZ TYR 466.A O no hydrogen 3.056 N/A VAL 475.A N PRO 471.A O no hydrogen 2.807 N/A ARG 476.A N THR 472.A O no hydrogen 3.212 N/A ARG 476.A NH2 ASP 510.A OD2 no hydrogen 3.269 N/A ALA 477.A N LYS 474.A O no hydrogen 2.954 N/A LEU 478.A N VAL 475.A O no hydrogen 2.488 N/A VAL 479.A N VAL 475.A O no hydrogen 3.205 N/A LEU 481.A N VAL 479.A O no hydrogen 2.412 N/A CYS 482.A SG LEU 493.A O no hydrogen 4.024 N/A LYS 483.A NZ VAL 443.A O no hydrogen 3.325 N/A LYS 483.A NZ TYR 521.A OH no hydrogen 3.382 N/A SER 492.A OG GLU 487.A O no hydrogen 3.239 N/A LEU 493.A N ALA 489.A O no hydrogen 2.951 N/A ALA 494.A N ILE 491.A O no hydrogen 2.638 N/A LYS 495.A N ILE 491.A O no hydrogen 2.869 N/A THR 496.A N SER 492.A O no hydrogen 2.984 N/A THR 496.A OG1 SER 492.A O no hydrogen 2.618 N/A CYS 497.A N LEU 493.A O no hydrogen 3.499 N/A CYS 497.A SG LEU 493.A O no hydrogen 3.138 N/A LYS 498.A N ALA 494.A O no hydrogen 2.865 N/A LYS 499.A N LYS 495.A O no hydrogen 3.237 N/A PHE 500.A N THR 496.A O no hydrogen 2.714 N/A LEU 501.A N CYS 497.A O no hydrogen 2.911 N/A LEU 502.A N LYS 498.A O no hydrogen 2.550 N/A GLU 503.A N LYS 499.A O no hydrogen 3.033 N/A THR 504.A N LEU 502.A O no hydrogen 2.573 N/A ILE 511.A N SER 508.A OG no hydrogen 3.392 N/A ARG 512.A N SER 508.A O no hydrogen 3.367 N/A ARG 512.A NE SER 508.A O no hydrogen 3.228 N/A ARG 512.A NH1 THR 504.A OG1 no hydrogen 3.154 N/A ARG 513.A NH1 LEU 552.A O no hydrogen 3.457 N/A TYR 514.A N ILE 511.A O no hydrogen 3.259 N/A TYR 514.A OH GLU 440.A OE2 no hydrogen 2.450 N/A ALA 515.A N ILE 511.A O no hydrogen 3.470 N/A CYS 516.A N ARG 512.A O no hydrogen 2.951 N/A CYS 516.A SG THR 556.A OG1 no hydrogen 2.951 N/A GLY 518.A N TYR 514.A O no hydrogen 2.559 N/A LEU 519.A N ALA 515.A O no hydrogen 3.446 N/A SER 520.A N CYS 516.A O no hydrogen 2.992 N/A TYR 521.A N GLY 518.A O no hydrogen 2.473 N/A TYR 521.A OH GLU 517.A OE1 no hydrogen 2.475 N/A LEU 522.A N GLY 518.A O no hydrogen 3.399 N/A LEU 522.A N LEU 519.A O no hydrogen 2.842 N/A SER 523.A N SER 520.A O no hydrogen 3.283 N/A VAL 528.A N ASP 525.A OD1 no hydrogen 2.760 N/A LYS 529.A N ASP 525.A O no hydrogen 3.206 N/A LYS 529.A NZ ASN 563.A O no hydrogen 3.162 N/A LYS 529.A NZ ASN 566.A OD1 no hydrogen 2.980 N/A LYS 529.A NZ ASP 585.A OD1 no hydrogen 2.956 N/A LYS 529.A NZ ASP 585.A OD2 no hydrogen 3.569 N/A GLU 530.A N ALA 526.A O no hydrogen 3.153 N/A TRP 531.A N ASP 527.A O no hydrogen 3.255 N/A ILE 532.A N VAL 528.A O no hydrogen 2.832 N/A ASP 534.A N GLU 530.A O no hydrogen 3.050 N/A ASP 535.A N ILE 532.A O no hydrogen 2.706 N/A LEU 538.A N ASP 535.A O no hydrogen 3.157 N/A LEU 538.A N ASP 535.A OD1 no hydrogen 2.526 N/A LEU 539.A N SER 536.A O no hydrogen 2.421 N/A LYS 540.A N SER 536.A O no hydrogen 2.842 N/A ALA 541.A N LEU 537.A O no hydrogen 3.220 N/A LEU 542.A N LEU 538.A O no hydrogen 3.086 N/A VAL 543.A N LEU 539.A O no hydrogen 2.773 N/A LEU 544.A N LYS 540.A O no hydrogen 3.277 N/A LEU 545.A N ALA 541.A O no hydrogen 2.842 N/A ALA 546.A N LEU 542.A O no hydrogen 3.454 N/A LYS 547.A N VAL 543.A O no hydrogen 2.897 N/A ALA 549.A N LEU 545.A O no hydrogen 2.700 N/A GLY 550.A N ALA 546.A O no hydrogen 3.114 N/A LEU 552.A N ALA 549.A O no hydrogen 3.054 N/A LEU 552.A N GLY 550.A O no hydrogen 2.438 N/A CYS 553.A N GLY 550.A O no hydrogen 3.086 N/A LEU 557.A N CYS 553.A O no hydrogen 2.708 N/A ALA 558.A N VAL 554.A O no hydrogen 2.781 N/A THR 559.A OG1 TYR 555.A O no hydrogen 2.755 N/A ILE 560.A N THR 556.A O no hydrogen 3.051 N/A TYR 561.A N LEU 557.A O no hydrogen 3.014 N/A ALA 562.A N ALA 558.A O no hydrogen 2.401 N/A ASN 563.A N THR 559.A O no hydrogen 3.245 N/A ASN 563.A ND2 THR 559.A O no hydrogen 3.091 N/A LEU 564.A N ILE 560.A O no hydrogen 3.247 N/A SER 565.A OG TYR 561.A O no hydrogen 2.864 N/A ASN 566.A N ASN 563.A O no hydrogen 3.443 N/A ALA 567.A N ALA 562.A O no hydrogen 3.078 N/A ASP 585.A N HIS 582.A O no hydrogen 2.530 N/A THR 586.A N HIS 582.A O no hydrogen 3.131 N/A TYR 589.A N GLU 587.A O no hydrogen 2.478 N/A VAL 590.A N GLU 587.A O no hydrogen 3.310 N/A LYS 592.A NZ GLU 530.A OE1 no hydrogen 3.535 N/A ARG 593.A NH2 ASP 585.A OD1 no hydrogen 3.316 N/A VAL 594.A N VAL 590.A O no hydrogen 2.863 N/A ARG 595.A N GLU 591.A O no hydrogen 2.910 N/A ARG 595.A NE GLU 591.A OE1 no hydrogen 3.391 N/A ARG 595.A NH2 GLU 591.A OE1 no hydrogen 3.392 N/A LEU 597.A N ARG 593.A O no hydrogen 2.958 N/A VAL 598.A N VAL 594.A O no hydrogen 2.983 N/A GLU 599.A N ARG 595.A O no hydrogen 3.204 N/A GLU 600.A N ALA 596.A O no hydrogen 3.435 N/A GLY 601.A N GLU 599.A O no hydrogen 3.017 N/A VAL 603.A N GLY 601.A O no hydrogen 2.392 N/A CYS 606.A SG ALA 602.A O no hydrogen 2.805 N/A VAL 607.A N VAL 603.A O no hydrogen 3.018 N/A ALA 608.A N PRO 604.A O no hydrogen 3.182 N/A VAL 609.A N ALA 605.A O no hydrogen 3.256 N/A SER 610.A OG VAL 607.A O no hydrogen 2.432 N/A SER 614.A N THR 612.A O no hydrogen 2.353 N/A SER 614.A N THR 612.A OG1 no hydrogen 3.083 N/A LYS 615.A NZ GLN 358.A OE1 no hydrogen 3.156 N/A ALA 617.A N SER 614.A OG no hydrogen 2.863 N/A GLU 619.A N LYS 615.A O no hydrogen 3.112 N/A LEU 620.A N ASN 616.A O no hydrogen 2.736 N/A ILE 621.A N ALA 617.A O no hydrogen 2.892 N/A ALA 622.A N LEU 618.A O no hydrogen 2.686 N/A ARG 623.A N GLU 619.A O no hydrogen 3.226 N/A SER 624.A N LEU 620.A O no hydrogen 2.936 N/A SER 624.A OG LEU 620.A O no hydrogen 2.794 N/A LEU 625.A N ALA 622.A O no hydrogen 2.727 N/A LEU 626.A N ALA 622.A O no hydrogen 2.732 N/A ALA 627.A N ARG 623.A O no hydrogen 2.936 N/A PHE 628.A N LEU 625.A O no hydrogen 2.481 N/A ALA 629.A N LEU 625.A O no hydrogen 2.866 N/A ALA 629.A N LEU 626.A O no hydrogen 3.317 N/A ARG 635.A NE LYS 668.A O no hydrogen 3.042 N/A ARG 635.A NH2 ALA 629.A O no hydrogen 2.509 N/A ARG 635.A NH2 LYS 668.A O no hydrogen 3.115 N/A ARG 637.A N LEU 634.A O no hydrogen 2.758 N/A ARG 637.A NH2 VAL 598.A O no hydrogen 2.926 N/A ARG 637.A NH2 GLU 599.A O no hydrogen 3.057 N/A ILE 638.A N LEU 634.A O no hydrogen 3.294 N/A ALA 640.A N ARG 637.A O no hydrogen 2.570 N/A LEU 646.A N GLY 642.A O no hydrogen 3.092 N/A CYS 647.A SG GLY 643.A O no hydrogen 2.977 N/A ARG 649.A N VAL 645.A O no hydrogen 2.773 N/A ARG 649.A NE GLU 653.A OE2 no hydrogen 3.440 N/A ARG 649.A NH1 SER 610.A OG no hydrogen 3.429 N/A ARG 649.A NH2 GLU 653.A OE1 no hydrogen 3.290 N/A LEU 650.A N LEU 646.A O no hydrogen 2.719 N/A THR 651.A N CYS 647.A O no hydrogen 3.160 N/A THR 651.A OG1 CYS 647.A O no hydrogen 3.224 N/A THR 651.A OG1 LEU 648.A O no hydrogen 2.620 N/A LYS 652.A N ARG 649.A O no hydrogen 2.993 N/A GLU 653.A N ARG 649.A O no hydrogen 3.075 N/A GLY 658.A N SER 655.A O no hydrogen 2.485 N/A LYS 659.A NZ LYS 652.A O no hydrogen 3.281 N/A LYS 659.A NZ ALA 654.A O no hydrogen 2.581 N/A LYS 661.A N GLU 657.A O no hydrogen 2.541 N/A LYS 661.A NZ GLU 569.A OE2 no hydrogen 2.804 N/A ALA 662.A N GLY 658.A O no hydrogen 2.811 N/A GLY 663.A N LYS 659.A O no hydrogen 2.587 N/A HIS 664.A N ILE 660.A O no hydrogen 3.189 N/A ILE 666.A N ALA 662.A O no hydrogen 3.035 N/A ALA 667.A N GLY 663.A O no hydrogen 2.793 N/A LYS 668.A N HIS 664.A O no hydrogen 2.521 N/A LYS 668.A NZ GLU 630.A OE1 no hydrogen 2.472 N/A LEU 669.A N ILE 666.A O no hydrogen 2.955 N/A GLY 670.A N ILE 666.A O no hydrogen 2.982 N/A SER 677.A OG ASP 674.A O no hydrogen 2.710 N/A PHE 678.A N PRO 675.A O no hydrogen 3.037 N/A ARG 682.A N PRO 679.A O no hydrogen 2.368 N/A ARG 682.A NH2 GLU 685.A OE1 no hydrogen 3.197 N/A ALA 683.A N PHE 678.A O no hydrogen 2.921 N/A VAL 686.A N ARG 682.A O no hydrogen 3.309 N/A VAL 687.A N GLU 685.A O no hydrogen 2.690 N/A LYS 688.A NZ GLU 727.A OE1 no hydrogen 3.521 N/A CYS 691.A SG LEU 690.A O no hydrogen 3.231 N/A ASP 692.A N PRO 689.A O no hydrogen 2.705 N/A LEU 693.A N PRO 689.A O no hydrogen 2.693 N/A ASP 697.A N HIS 695.A O no hydrogen 2.553 N/A ASN 703.A ND2 PRO 696.A O no hydrogen 3.507 N/A SER 706.A N ALA 702.A O no hydrogen 2.772 N/A LEU 707.A N TYR 704.A O no hydrogen 2.707 N/A LEU 708.A N TYR 704.A O no hydrogen 3.090 N/A THR 709.A OG1 ALA 667.A O no hydrogen 3.029 N/A THR 709.A OG1 GLY 670.A O no hydrogen 2.383 N/A THR 709.A OG1 ASP 705.A O no hydrogen 2.615 N/A LEU 710.A N SER 706.A O no hydrogen 3.346 N/A THR 711.A N LEU 707.A O no hydrogen 2.723 N/A THR 711.A OG1 LEU 707.A O no hydrogen 2.625 N/A ASN 712.A N LEU 708.A O no hydrogen 3.282 N/A ASN 712.A ND2 LEU 708.A O no hydrogen 2.791 N/A ALA 714.A N LEU 710.A O no hydrogen 2.708 N/A VAL 716.A N SER 715.A OG no hydrogen 2.475 N/A ARG 721.A NE ALA 714.A O no hydrogen 2.634 N/A ARG 721.A NE SER 715.A O no hydrogen 3.325 N/A ARG 721.A NE SER 717.A O no hydrogen 3.061 N/A ARG 721.A NH2 SER 715.A O no hydrogen 2.680 N/A GLY 722.A N ASP 718.A O no hydrogen 3.259 N/A ARG 723.A N SER 719.A O no hydrogen 3.262 N/A ILE 724.A N ILE 720.A O no hydrogen 3.223 N/A LEU 725.A N ARG 721.A O no hydrogen 2.797 N/A LYS 726.A N GLY 722.A O no hydrogen 2.810 N/A GLU 727.A N ARG 723.A O no hydrogen 2.621 N/A LYS 728.A N LEU 725.A O no hydrogen 2.736 N/A LYS 728.A NZ GLN 18.A OE1 no hydrogen 2.807 N/A LYS 732.A N ALA 729.A O no hydrogen 3.340 N/A LYS 732.A NZ GLU 735.A OE2 no hydrogen 3.347 N/A ILE 733.A N ALA 729.A O no hydrogen 3.465 N/A GLU 734.A N ILE 730.A O no hydrogen 2.916 N/A GLU 735.A N LYS 732.A O no hydrogen 2.980 N/A PHE 736.A N ILE 733.A O no hydrogen 3.433 N/A HIS 741.A N THR 739.A O no hydrogen 2.685 N/A ARG 745.A N HIS 741.A O no hydrogen 3.219 N/A ARG 745.A N GLU 742.A O no hydrogen 3.144 N/A ARG 745.A NE TRP 737.A O no hydrogen 3.500 N/A ARG 745.A NH2 TYR 779.A OH no hydrogen 3.441 N/A ALA 746.A N GLU 742.A O no hydrogen 2.845 N/A ALA 746.A N HIS 743.A O no hydrogen 3.012 N/A ALA 749.A N ARG 745.A O no hydrogen 3.216 N/A GLU 750.A N ALA 746.A O no hydrogen 3.489 N/A LEU 751.A N ALA 747.A O no hydrogen 2.917 N/A LEU 753.A N ALA 749.A O no hydrogen 3.025 N/A ASN 754.A N LEU 751.A O no hydrogen 2.709 N/A LEU 755.A N LEU 752.A O no hydrogen 2.874 N/A LEU 756.A N LEU 752.A O no hydrogen 2.928 N/A PHE 761.A N GLU 759.A O no hydrogen 2.323 N/A TYR 762.A OH ILE 798.A O no hydrogen 2.879 N/A THR 765.A N TYR 762.A O no hydrogen 3.297 N/A THR 765.A OG1 PHE 761.A O no hydrogen 3.184 N/A THR 765.A OG1 TYR 762.A O no hydrogen 2.944 N/A LEU 775.A N ARG 772.A O no hydrogen 2.586 N/A TYR 779.A N LEU 775.A O no hydrogen 3.016 N/A TYR 779.A OH TRP 737.A O no hydrogen 2.621 N/A ALA 781.A N VAL 777.A O no hydrogen 3.226 N/A GLU 782.A N LEU 778.A O no hydrogen 2.525 N/A GLU 784.A N GLU 784.A OE1 no hydrogen 2.474 N/A SER 789.A N GLU 786.A O no hydrogen 3.034 N/A SER 789.A OG ASP 826.A OD2 no hydrogen 3.389 N/A SER 789.A OG THR 829.A OG1 no hydrogen 2.931 N/A ARG 790.A N SER 789.A OG no hydrogen 2.347 N/A ALA 791.A N ARG 787.A O no hydrogen 2.908 N/A SER 792.A OG LEU 788.A O no hydrogen 3.291 N/A ALA 794.A N ARG 790.A O no hydrogen 3.477 N/A PHE 796.A N ALA 793.A O no hydrogen 2.740 N/A ALA 797.A N ALA 793.A O no hydrogen 2.738 N/A THR 800.A OG1 PHE 796.A O no hydrogen 2.737 N/A THR 800.A OG1 GLY 835.A O no hydrogen 2.718 N/A ALA 805.A N ASP 802.A O no hydrogen 3.327 N/A CYS 806.A SG THR 800.A O no hydrogen 3.707 N/A CYS 806.A SG ASP 802.A O no hydrogen 3.771 N/A CYS 806.A SG ASN 838.A O no hydrogen 3.987 N/A CYS 806.A SG ILE 839.A O no hydrogen 3.724 N/A ALA 807.A N ASN 804.A O no hydrogen 3.213 N/A ARG 808.A N ASN 804.A O no hydrogen 3.279 N/A ILE 809.A N ALA 805.A O no hydrogen 3.360 N/A SER 814.A OG SER 814.A O no hydrogen 2.597 N/A SER 814.A OG GLU 817.A OE1 no hydrogen 2.996 N/A PHE 819.A N TRP 815.A O no hydrogen 2.965 N/A LYS 820.A N PRO 816.A O no hydrogen 2.577 N/A ASP 821.A N GLU 817.A O no hydrogen 3.269 N/A ILE 822.A N VAL 818.A O no hydrogen 3.163 N/A HIS 824.A ND1 GLU 825.A OE2 no hydrogen 3.363 N/A ASP 826.A N HIS 824.A O no hydrogen 2.356 N/A THR 829.A N ASP 826.A OD2 no hydrogen 3.272 N/A THR 829.A OG1 SER 789.A OG no hydrogen 2.931 N/A THR 829.A OG1 ASP 826.A OD2 no hydrogen 2.627 N/A ARG 832.A N GLU 828.A O no hydrogen 2.827 N/A ALA 837.A N LEU 834.A O no hydrogen 3.222 N/A ILE 839.A N ILE 836.A O no hydrogen 2.988 N/A HIS 840.A NE2 GLY 873.A O no hydrogen 2.867 N/A CYS 846.A SG GLN 877.A O no hydrogen 2.838 N/A SER 847.A N ASN 843.A O no hydrogen 2.957 N/A SER 847.A OG ASN 843.A O no hydrogen 2.875 N/A GLU 848.A N GLU 848.A OE1 no hydrogen 2.534 N/A ARG 856.A N SER 852.A O no hydrogen 3.287 N/A GLN 869.A N THR 866.A O no hydrogen 2.844 N/A ALA 872.A N ASN 868.A O no hydrogen 2.651 N/A GLY 873.A N GLN 869.A O no hydrogen 3.285 N/A SER 874.A N ARG 871.A O no hydrogen 2.987 N/A ALA 878.A N GLU 876.A O no hydrogen 2.498 N/A LYS 879.A N GLU 876.A O no hydrogen 3.351 N/A