Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nvy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG GLU 4.A O no hydrogen 3.220 N/A ALA 6.A N ASP 3.A O no hydrogen 2.721 N/A THR 9.A N ASP 12.A OD2 no hydrogen 2.663 N/A THR 9.A OG1 ASP 12.A OD2 no hydrogen 2.638 N/A ASP 12.A N THR 9.A O no hydrogen 2.751 N/A SER 13.A OG ALA 10.A O no hydrogen 3.112 N/A SER 13.A OG ILE 642.A O no hydrogen 2.683 N/A TRP 14.A N GLU 11.A O no hydrogen 3.241 N/A VAL 16.A N ASP 12.A O no hydrogen 3.439 N/A ILE 17.A N SER 13.A O no hydrogen 2.894 N/A SER 18.A N TRP 14.A O no hydrogen 2.592 N/A SER 18.A OG TRP 14.A O no hydrogen 2.984 N/A SER 18.A OG TYR 710.A OH no hydrogen 2.598 N/A ALA 19.A N ALA 15.A O no hydrogen 2.934 N/A PHE 20.A N VAL 16.A O no hydrogen 2.879 N/A PHE 21.A N ILE 17.A O no hydrogen 2.818 N/A ARG 22.A N SER 18.A O no hydrogen 2.578 N/A GLU 23.A N ALA 19.A O no hydrogen 3.004 N/A LYS 24.A N PHE 20.A O no hydrogen 3.085 N/A LYS 24.A NZ TYR 600.A OH no hydrogen 3.377 N/A GLY 25.A N PHE 21.A O no hydrogen 2.772 N/A GLN 29.A NE2 LEU 418.A O no hydrogen 2.943 N/A GLN 30.A N VAL 27.A O no hydrogen 3.223 N/A GLN 30.A NE2 GLN 29.A OE1 no hydrogen 3.215 N/A GLN 30.A NE2 LEU 152.A O no hydrogen 3.650 N/A GLN 30.A NE2 LEU 418.A O no hydrogen 2.795 N/A LEU 31.A N VAL 27.A O no hydrogen 3.305 N/A ASP 32.A N SER 28.A O no hydrogen 2.813 N/A PHE 34.A N GLN 30.A O no hydrogen 2.767 N/A ASN 35.A N LEU 31.A O no hydrogen 2.503 N/A GLN 36.A N ASP 32.A O no hydrogen 2.764 N/A PHE 37.A N SER 33.A O no hydrogen 3.371 N/A VAL 38.A N PHE 34.A O no hydrogen 3.010 N/A ASP 39.A N ASN 35.A O no hydrogen 2.746 N/A TYR 40.A N GLN 36.A O no hydrogen 3.087 N/A THR 41.A N GLN 36.A O no hydrogen 3.048 N/A THR 41.A OG1 GLN 36.A O no hydrogen 3.087 N/A LEU 42.A N PHE 37.A O no hydrogen 2.742 N/A GLN 43.A NE2 GLN 43.A O no hydrogen 3.402 N/A GLN 43.A NE2 GLY 58.A O no hydrogen 2.706 N/A ASP 44.A N TYR 40.A O no hydrogen 3.166 N/A ASP 44.A N THR 41.A O no hydrogen 3.247 N/A ILE 45.A N LEU 42.A O no hydrogen 2.798 N/A CYS 47.A SG GLN 43.A O no hydrogen 3.317 N/A SER 50.A OG CYS 47.A O no hydrogen 3.348 N/A GLU 54.A N ARG 100.A O no hydrogen 2.611 N/A SER 56.A N LYS 98.A O no hydrogen 3.352 N/A GLY 58.A N ASP 96.A O no hydrogen 2.572 N/A ILE 60.A N GLN 43.A OE1 no hydrogen 2.984 N/A TYR 61.A N PHE 94.A O no hydrogen 2.657 N/A THR 63.A N GLY 92.A O no hydrogen 3.281 N/A THR 63.A OG1 GLY 92.A O no hydrogen 2.604 N/A LYS 64.A NZ GLU 123.A OE1 no hydrogen 3.145 N/A VAL 67.A N HIS 75.A O no hydrogen 3.037 N/A SER 70.A OG GLN 844.A O no hydrogen 2.905 N/A LEU 77.A N PRO 65.A O no hydrogen 3.110 N/A ALA 82.A N TYR 78.A O no hydrogen 2.906 N/A ARG 83.A N PRO 79.A O no hydrogen 2.963 N/A ARG 83.A N GLN 80.A O no hydrogen 2.977 N/A ARG 83.A NE GLN 80.A OE1 no hydrogen 3.230 N/A ARG 83.A NH1 GLU 149.A OE1 no hydrogen 3.106 N/A ARG 83.A NH2 GLN 80.A OE1 no hydrogen 3.060 N/A LEU 84.A N GLN 80.A O no hydrogen 3.073 N/A ARG 85.A N GLU 81.A O no hydrogen 2.732 N/A ASN 86.A N ARG 83.A O no hydrogen 3.369 N/A LEU 87.A N ALA 82.A O no hydrogen 2.830 N/A TYR 89.A N ILE 144.A O no hydrogen 3.121 N/A SER 90.A OG THR 88.A O no hydrogen 3.469 N/A SER 91.A N LEU 110.A O no hydrogen 2.730 N/A SER 91.A OG THR 63.A O no hydrogen 2.613 N/A SER 91.A OG SER 90.A O no hydrogen 3.144 N/A LEU 93.A N GLY 108.A O no hydrogen 3.026 N/A PHE 94.A N TYR 61.A O no hydrogen 2.904 N/A VAL 95.A N VAL 105.A O no hydrogen 3.249 N/A LYS 98.A N SER 56.A O no hydrogen 3.014 N/A ILE 107.A N LEU 93.A O no hydrogen 2.758 N/A LEU 110.A N SER 91.A O no hydrogen 2.865 N/A ILE 112.A N TYR 89.A O no hydrogen 2.530 N/A LEU 114.A N TYR 142.A O no hydrogen 2.804 N/A ARG 115.A NH2 LEU 121.A O no hydrogen 3.364 N/A SER 116.A N MET 113.A O no hydrogen 3.230 N/A SER 116.A OG MET 113.A O no hydrogen 2.504 N/A LYS 117.A N ASN 35.A OD1 no hydrogen 3.030 N/A LYS 117.A NZ ASP 39.A OD2 no hydrogen 3.455 N/A CYS 119.A N SER 116.A O no hydrogen 2.954 N/A CYS 119.A SG TYR 89.A OH no hydrogen 3.080 N/A TYR 120.A N TYR 89.A OH no hydrogen 3.193 N/A TYR 120.A OH PRO 65.A O no hydrogen 2.586 N/A SER 122.A OG LYS 117.A O no hydrogen 3.115 N/A SER 122.A OG CYS 119.A O no hydrogen 3.068 N/A SER 122.A OG GLU 123.A OE2 no hydrogen 2.944 N/A GLU 123.A N TYR 120.A O no hydrogen 3.343 N/A ALA 124.A N LEU 121.A O no hydrogen 3.010 N/A THR 125.A N ASP 128.A OD2 no hydrogen 3.405 N/A THR 125.A OG1 SER 127.A OG no hydrogen 3.268 N/A SER 127.A OG THR 125.A OG1 no hydrogen 3.268 N/A ASP 128.A N THR 125.A OG1 no hydrogen 2.616 N/A LEU 129.A N GLU 126.A O no hydrogen 3.068 N/A TYR 130.A N GLU 126.A O no hydrogen 3.227 N/A LYS 131.A N SER 127.A O no hydrogen 2.791 N/A LYS 131.A NZ SER 127.A OG no hydrogen 3.350 N/A LYS 133.A N TYR 130.A O no hydrogen 3.022 N/A GLU 134.A N LEU 129.A O no hydrogen 2.918 N/A CYS 135.A SG THR 682.A OG1 no hydrogen 2.492 N/A ASP 138.A N CYS 135.A O no hydrogen 3.040 N/A TYR 142.A OH ASP 138.A OD1 no hydrogen 2.733 N/A TYR 142.A OH ASP 138.A OD2 no hydrogen 2.837 N/A PHE 143.A N LYS 150.A O no hydrogen 2.931 N/A ILE 145.A N SER 148.A O no hydrogen 2.862 N/A ASN 146.A N THR 88.A OG1 no hydrogen 3.237 N/A GLY 147.A N LEU 87.A O no hydrogen 2.570 N/A SER 148.A N ILE 145.A O no hydrogen 3.252 N/A LYS 150.A N PHE 143.A O no hydrogen 2.623 N/A LYS 150.A NZ SER 403.A O no hydrogen 3.260 N/A LYS 150.A NZ SER 403.A OG no hydrogen 3.115 N/A VAL 151.A N GLN 404.A O no hydrogen 2.823 N/A ILE 153.A N VAL 402.A O no hydrogen 2.694 N/A GLN 155.A N ASP 347.A O no hydrogen 2.619 N/A GLU 156.A N ASN 422.A O no hydrogen 2.708 N/A ARG 157.A N ARG 345.A O no hydrogen 2.904 N/A ARG 157.A NE SER 158.A O no hydrogen 3.044 N/A ARG 157.A NH1 ASP 347.A OD2 no hydrogen 3.027 N/A ALA 159.A N LYS 343.A O no hydrogen 3.138 N/A ASN 161.A N ARG 181.A O no hydrogen 3.344 N/A ASN 161.A ND2 ASN 500.A O no hydrogen 3.057 N/A GLN 164.A N GLU 179.A O no hydrogen 2.936 N/A VAL 165.A N ASP 336.A OD2 no hydrogen 2.998 N/A PHE 166.A N VAL 177.A O no hydrogen 2.926 N/A LYS 167.A N GLN 335.A OE1 no hydrogen 2.891 N/A LYS 167.A NZ CYS 328.A O no hydrogen 3.300 N/A SER 172.A N ALA 169.A O no hydrogen 3.009 N/A SER 172.A OG ALA 169.A O no hydrogen 2.882 N/A SER 172.A OG ILE 174.A O no hydrogen 2.722 N/A SER 175.A N LEU 198.A O no hydrogen 2.956 N/A VAL 177.A N PHE 166.A O no hydrogen 3.244 N/A GLU 179.A N GLN 164.A O no hydrogen 2.764 N/A ILE 180.A N LEU 194.A O no hydrogen 2.951 N/A ARG 181.A NH1 SER 158.A O no hydrogen 2.950 N/A ALA 183.A N ASN 161.A OD1 no hydrogen 3.139 N/A ARG 189.A NH2 PRO 351.A O no hydrogen 3.427 N/A SER 192.A N SER 182.A O no hydrogen 3.325 N/A SER 192.A OG PHE 190.A O no hydrogen 3.331 N/A THR 193.A OG1 ILE 180.A O no hydrogen 3.423 N/A LEU 194.A N ILE 180.A O no hydrogen 3.162 N/A VAL 196.A N ALA 178.A O no hydrogen 3.248 N/A LYS 197.A N LYS 210.A O no hydrogen 2.719 N/A LYS 197.A NZ GLN 195.A OE1 no hydrogen 3.313 N/A LEU 198.A N HIS 176.A O no hydrogen 3.013 N/A TYR 199.A N THR 208.A O no hydrogen 2.602 N/A TYR 199.A OH ASP 219.A OD2 no hydrogen 2.387 N/A GLY 200.A N PRO 173.A O no hydrogen 2.805 N/A ARG 201.A NE SER 172.A O no hydrogen 2.975 N/A ARG 201.A NH2 SER 172.A OG no hydrogen 3.061 N/A SER 204.A N ARG 201.A O no hydrogen 2.736 N/A THR 208.A OG1 ILE 209.A O no hydrogen 3.384 N/A THR 208.A OG1 ASP 260.A OD2 no hydrogen 2.867 N/A LYS 210.A N LYS 197.A O no hydrogen 2.822 N/A ALA 211.A N ILE 220.A O no hydrogen 2.881 N/A THR 212.A N GLN 195.A O no hydrogen 2.876 N/A THR 212.A OG1 ASP 219.A OD1 no hydrogen 3.093 N/A THR 212.A OG1 ASP 219.A OD2 no hydrogen 3.060 N/A ILE 216.A N LEU 213.A O no hydrogen 3.164 N/A LYS 217.A N ARG 277.A O no hydrogen 2.818 N/A ILE 220.A N ALA 211.A O no hydrogen 2.963 N/A ILE 222.A N ILE 209.A O no hydrogen 3.360 N/A PHE 226.A N ILE 222.A O no hydrogen 3.188 N/A ARG 227.A N VAL 223.A O no hydrogen 3.001 N/A ARG 227.A NE ILE 232.A O no hydrogen 2.697 N/A ARG 227.A NH2 ILE 232.A O no hydrogen 3.486 N/A ALA 228.A N ILE 224.A O no hydrogen 2.885 N/A LEU 229.A N ILE 225.A O no hydrogen 2.710 N/A GLY 230.A N ARG 227.A O no hydrogen 2.675 N/A ILE 231.A N PHE 226.A O no hydrogen 2.790 N/A GLU 236.A N PRO 233.A O no hydrogen 2.651 N/A ILE 237.A N PRO 233.A O no hydrogen 3.032 N/A LEU 238.A N ASP 234.A O no hydrogen 2.831 N/A GLU 239.A N GLY 235.A O no hydrogen 3.161 N/A HIS 240.A N GLU 236.A O no hydrogen 3.268 N/A HIS 240.A N ILE 237.A O no hydrogen 2.727 N/A ILE 241.A N ILE 237.A O no hydrogen 3.286 N/A ILE 241.A N LEU 238.A O no hydrogen 3.061 N/A CYS 242.A N LEU 238.A O no hydrogen 2.537 N/A CYS 242.A SG ASP 244.A O no hydrogen 3.599 N/A ASP 244.A N CYS 242.A O no hydrogen 2.605 N/A ASP 247.A N ASP 244.A O no hydrogen 3.146 N/A TRP 248.A N ASN 246.A O no hydrogen 2.432 N/A MET 250.A N ASP 247.A O no hydrogen 2.998 N/A MET 250.A N ASP 247.A OD1 no hydrogen 3.362 N/A LEU 251.A N ASP 247.A O no hydrogen 3.296 N/A GLU 252.A N TRP 248.A O no hydrogen 3.035 N/A MET 253.A N GLN 249.A O no hydrogen 3.137 N/A MET 253.A N MET 250.A O no hydrogen 2.909 N/A LEU 254.A N MET 250.A O no hydrogen 3.121 N/A CYS 257.A N LEU 254.A O no hydrogen 2.520 N/A VAL 258.A N LEU 254.A O no hydrogen 3.063 N/A GLU 259.A N LYS 255.A O no hydrogen 3.192 N/A ASP 260.A N PRO 256.A O no hydrogen 2.574 N/A GLY 261.A N CYS 257.A O no hydrogen 2.897 N/A PHE 262.A N GLU 259.A O no hydrogen 2.830 N/A ILE 264.A N GLY 261.A O no hydrogen 3.433 N/A THR 269.A N ASP 266.A OD2 no hydrogen 3.121 N/A THR 269.A OG1 ASP 266.A OD1 no hydrogen 2.895 N/A THR 269.A OG1 ASP 266.A OD2 no hydrogen 2.770 N/A ALA 270.A N ASP 266.A O no hydrogen 3.015 N/A LEU 271.A N ARG 267.A O no hydrogen 2.582 N/A ASP 272.A N GLU 268.A O no hydrogen 2.693 N/A PHE 273.A N THR 269.A O no hydrogen 2.829 N/A ILE 274.A N ALA 270.A O no hydrogen 3.091 N/A GLY 275.A N LEU 271.A O no hydrogen 2.896 N/A ARG 276.A N ASP 272.A O no hydrogen 2.768 N/A ARG 277.A N ILE 274.A O no hydrogen 2.630 N/A ARG 277.A NE PHE 273.A O no hydrogen 2.829 N/A ARG 277.A NH1 GLN 218.A OE1 no hydrogen 2.900 N/A GLY 278.A N GLY 275.A O no hydrogen 2.881 N/A ILE 283.A N ALA 280.A O no hydrogen 3.317 N/A ARG 288.A N LYS 284.A O no hydrogen 2.896 N/A ILE 289.A N LYS 285.A O no hydrogen 2.726 N/A GLN 290.A N GLU 286.A O no hydrogen 2.686 N/A TYR 291.A N LYS 287.A O no hydrogen 2.666 N/A ALA 292.A N ARG 288.A O no hydrogen 3.014 N/A LYS 293.A N ILE 289.A O no hydrogen 2.763 N/A ASP 294.A N GLN 290.A O no hydrogen 3.104 N/A ASP 294.A N TYR 291.A O no hydrogen 3.161 N/A ILE 295.A N TYR 291.A O no hydrogen 2.991 N/A LEU 296.A N ALA 292.A O no hydrogen 3.111 N/A LYS 298.A N ILE 295.A O no hydrogen 3.165 N/A LYS 298.A NZ ASP 294.A OD1 no hydrogen 3.504 N/A LYS 298.A NZ GLN 297.A OE1 no hydrogen 3.003 N/A GLU 299.A N ILE 295.A O no hydrogen 2.656 N/A PHE 300.A N ILE 295.A O no hydrogen 2.888 N/A ILE 304.A N LEU 301.A O no hydrogen 3.383 N/A THR 305.A OG1 ILE 304.A O no hydrogen 2.897 N/A PHE 310.A N GLU 308.A O no hydrogen 2.535 N/A ARG 313.A NE GLU 484.A OE2 no hydrogen 3.362 N/A LYS 314.A N GLU 311.A O no hydrogen 3.226 N/A LYS 314.A NZ LEU 296.A O no hydrogen 2.793 N/A LYS 314.A NZ PHE 300.A O no hydrogen 3.317 N/A LYS 314.A NZ THR 305.A O no hydrogen 3.041 N/A ALA 315.A N GLU 311.A O no hydrogen 2.878 N/A PHE 316.A N SER 312.A O no hydrogen 2.962 N/A PHE 317.A N ARG 313.A O no hydrogen 3.303 N/A LEU 318.A N LYS 314.A O no hydrogen 2.501 N/A GLY 319.A N ALA 315.A O no hydrogen 2.682 N/A TYR 320.A N PHE 316.A O no hydrogen 2.953 N/A TYR 320.A OH GLU 540.A OE1 no hydrogen 3.188 N/A TYR 320.A OH GLU 540.A OE2 no hydrogen 3.312 N/A MET 321.A N PHE 317.A O no hydrogen 2.888 N/A ILE 322.A N LEU 318.A O no hydrogen 2.990 N/A ASN 323.A N GLY 319.A O no hydrogen 2.644 N/A ARG 324.A N TYR 320.A O no hydrogen 3.081 N/A ARG 324.A NH2 ASP 336.A OD1 no hydrogen 2.956 N/A LEU 325.A N MET 321.A O no hydrogen 2.845 N/A LEU 326.A N ILE 322.A O no hydrogen 2.995 N/A LEU 327.A N ASN 323.A O no hydrogen 2.853 N/A CYS 328.A N ARG 324.A O no hydrogen 2.897 N/A CYS 328.A N LEU 325.A O no hydrogen 3.280 N/A CYS 328.A SG HIS 176.A ND1 no hydrogen 3.794 N/A CYS 328.A SG LYS 333.A O no hydrogen 3.802 N/A ALA 329.A N LEU 325.A O no hydrogen 2.970 N/A LEU 330.A N LEU 326.A O no hydrogen 2.645 N/A ASP 331.A N CYS 328.A O no hydrogen 3.281 N/A ARG 332.A N LEU 327.A O no hydrogen 3.279 N/A ARG 332.A NH1 ASP 247.A OD1 no hydrogen 2.849 N/A ARG 332.A NH1 ASP 247.A OD2 no hydrogen 2.952 N/A ARG 332.A NH2 ASP 247.A OD1 no hydrogen 3.008 N/A ARG 332.A NH2 GLN 249.A OE1 no hydrogen 2.668 N/A LYS 333.A NZ GLU 538.A OE1 no hydrogen 2.818 N/A LYS 333.A NZ GLU 538.A OE2 no hydrogen 2.921 N/A ASP 339.A N ASP 337.A OD1 no hydrogen 2.712 N/A HIS 340.A N ASP 337.A O no hydrogen 3.483 N/A HIS 340.A NE2 GLU 607.A OE1 no hydrogen 2.361 N/A PHE 341.A N THR 434.A OG1 no hydrogen 2.611 N/A GLY 342.A N HIS 340.A ND1 no hydrogen 3.016 N/A LYS 344.A N PHE 341.A O no hydrogen 2.965 N/A LYS 344.A NZ ARG 338.A O no hydrogen 2.741 N/A ARG 345.A N ARG 157.A O no hydrogen 2.945 N/A ARG 345.A NE ASP 546.A OD1 no hydrogen 3.229 N/A ARG 345.A NE ASP 546.A OD2 no hydrogen 2.814 N/A ARG 345.A NH1 GLY 342.A O no hydrogen 3.008 N/A ARG 345.A NH1 LYS 344.A O no hydrogen 2.582 N/A LEU 346.A N GLY 548.A O no hydrogen 2.639 N/A ASP 347.A N GLN 155.A O no hydrogen 2.546 N/A GLY 350.A N SER 33.A OG no hydrogen 2.676 N/A LEU 352.A N LEU 348.A O no hydrogen 3.033 N/A LEU 353.A N ALA 349.A O no hydrogen 3.127 N/A ALA 354.A N PRO 351.A O no hydrogen 3.021 N/A GLN 355.A N PRO 351.A O no hydrogen 2.801 N/A LEU 356.A N LEU 352.A O no hydrogen 3.213 N/A PHE 357.A N LEU 353.A O no hydrogen 3.328 N/A LYS 358.A N ALA 354.A O no hydrogen 2.788 N/A THR 359.A N GLN 355.A O no hydrogen 2.849 N/A THR 359.A OG1 GLN 355.A O no hydrogen 2.747 N/A LEU 360.A N LEU 356.A O no hydrogen 2.495 N/A PHE 361.A N PHE 357.A O no hydrogen 2.947 N/A LYS 362.A N LYS 358.A O no hydrogen 2.917 N/A LEU 364.A N LEU 360.A O no hydrogen 3.040 N/A THR 365.A N PHE 361.A O no hydrogen 2.621 N/A THR 365.A OG1 PHE 361.A O no hydrogen 3.329 N/A LYS 366.A N LYS 362.A O no hydrogen 2.926 N/A ASP 367.A N LYS 363.A O no hydrogen 2.693 N/A ILE 368.A N LEU 364.A O no hydrogen 3.234 N/A PHE 369.A N LYS 366.A O no hydrogen 3.033 N/A ARG 370.A N LYS 366.A O no hydrogen 3.174 N/A ARG 370.A NE LYS 366.A O no hydrogen 3.481 N/A TYR 371.A N ILE 368.A O no hydrogen 3.146 N/A MET 372.A N PHE 369.A O no hydrogen 3.291 N/A GLN 373.A N PHE 369.A O no hydrogen 3.418 N/A THR 375.A N MET 372.A O no hydrogen 3.121 N/A THR 375.A OG1 TYR 371.A O no hydrogen 3.260 N/A LYS 383.A N ASN 381.A OD1 no hydrogen 3.291 N/A ILE 385.A N ALA 382.A O no hydrogen 3.279 N/A THR 386.A N ALA 382.A O no hydrogen 3.101 N/A THR 386.A OG1 ALA 382.A O no hydrogen 3.350 N/A SER 387.A N LYS 383.A O no hydrogen 2.706 N/A GLY 388.A N THR 384.A O no hydrogen 3.090 N/A LEU 389.A N ILE 385.A O no hydrogen 3.000 N/A LYS 390.A N THR 386.A O no hydrogen 3.050 N/A TYR 391.A N SER 387.A O no hydrogen 2.552 N/A ALA 392.A N GLY 388.A O no hydrogen 3.043 N/A LEU 393.A N LEU 389.A O no hydrogen 2.946 N/A ALA 394.A N LYS 390.A O no hydrogen 3.086 N/A ALA 394.A N TYR 391.A O no hydrogen 3.061 N/A THR 395.A N ALA 392.A O no hydrogen 3.235 N/A THR 395.A OG1 TYR 391.A O no hydrogen 3.389 N/A GLY 396.A N ALA 392.A O no hydrogen 2.814 N/A ASN 397.A N ALA 392.A O no hydrogen 3.488 N/A TRP 398.A NE1 LEU 352.A O no hydrogen 3.070 N/A GLY 401.A N GLY 396.A O no hydrogen 2.487 N/A SER 403.A OG LEU 393.A O no hydrogen 2.687 N/A GLN 404.A N VAL 151.A O no hydrogen 2.784 N/A GLN 404.A NE2 GLY 401.A O no hydrogen 3.593 N/A LEU 406.A N GLU 149.A O no hydrogen 2.612 N/A ASN 407.A N HIS 417.A ND1 no hydrogen 2.839 N/A ARG 408.A NE GLU 149.A OE2 no hydrogen 2.603 N/A ARG 408.A NH2 ASP 138.A OD2 no hydrogen 2.452 N/A ARG 408.A NH2 GLU 149.A OE1 no hydrogen 2.997 N/A ARG 408.A NH2 GLU 149.A OE2 no hydrogen 3.459 N/A THR 410.A N SER 413.A OG no hydrogen 2.802 N/A THR 410.A OG1 ALA 676.A O no hydrogen 2.790 N/A TYR 411.A OH PHE 137.A O no hydrogen 2.759 N/A SER 413.A OG THR 410.A O no hydrogen 2.425 N/A THR 414.A N THR 410.A O no hydrogen 3.058 N/A THR 414.A N TYR 411.A O no hydrogen 3.109 N/A THR 414.A OG1 ASN 407.A O no hydrogen 2.585 N/A THR 414.A OG1 THR 410.A O no hydrogen 3.231 N/A LEU 415.A N TYR 411.A O no hydrogen 2.990 N/A SER 416.A N SER 412.A O no hydrogen 2.772 N/A SER 416.A OG GLU 443.A OE2 no hydrogen 2.918 N/A HIS 417.A N SER 413.A O no hydrogen 3.155 N/A HIS 417.A NE2 GLN 404.A OE1 no hydrogen 2.990 N/A LEU 418.A N THR 414.A O no hydrogen 3.245 N/A LEU 418.A N LEU 415.A O no hydrogen 3.160 N/A ARG 419.A N SER 416.A O no hydrogen 2.978 N/A ARG 419.A NH1 LEU 26.A O no hydrogen 3.544 N/A ARG 419.A NH2 LEU 456.A O no hydrogen 3.055 N/A ARG 420.A N HIS 417.A O no hydrogen 3.131 N/A ARG 420.A NE ASN 455.A OD1 no hydrogen 3.474 N/A ARG 420.A NH2 GLU 443.A OE2 no hydrogen 3.417 N/A THR 421.A N LYS 454.A O no hydrogen 2.558 N/A ASN 422.A N ALA 154.A O no hydrogen 2.841 N/A ASN 422.A ND2 GLN 155.A OE1 no hydrogen 3.372 N/A THR 423.A OG1 LEU 452.A O no hydrogen 3.169 N/A LYS 427.A N ASP 339.A OD2 no hydrogen 2.798 N/A ARG 429.A NH1 GLN 448.A O no hydrogen 3.251 N/A HIS 435.A N HIS 432.A O no hydrogen 2.656 N/A TRP 436.A N ASN 433.A O no hydrogen 2.818 N/A TRP 436.A NE1 GLU 641.A OE2 no hydrogen 3.151 N/A LEU 438.A N HIS 435.A O no hydrogen 2.701 N/A VAL 439.A N HIS 435.A O no hydrogen 3.078 N/A CYS 440.A N ASN 455.A O no hydrogen 2.685 N/A THR 444.A N ALA 442.A O no hydrogen 2.915 N/A THR 444.A OG1 VAL 453.A O no hydrogen 2.983 N/A GLN 448.A NE2 GLU 446.A O no hydrogen 3.340 N/A CYS 450.A N GLY 447.A O no hydrogen 2.983 N/A GLY 451.A N THR 444.A OG1 no hydrogen 2.875 N/A LEU 452.A N ALA 449.A O no hydrogen 2.710 N/A VAL 453.A N ALA 449.A O no hydrogen 3.009 N/A LYS 454.A N THR 421.A O no hydrogen 2.772 N/A LYS 454.A NZ THR 423.A OG1 no hydrogen 2.636 N/A ASN 455.A ND2 GLU 443.A O no hydrogen 2.972 N/A LEU 456.A N ARG 419.A O no hydrogen 2.902 N/A SER 457.A N LEU 438.A O no hydrogen 3.035 N/A SER 457.A OG ILE 647.A O no hydrogen 3.220 N/A LEU 458.A N LEU 648.A O no hydrogen 2.754 N/A SER 460.A N SER 457.A O no hydrogen 2.854 N/A SER 460.A OG GLY 437.A O no hydrogen 3.328 N/A SER 460.A OG LEU 438.A O no hydrogen 2.653 N/A SER 460.A OG SER 457.A O no hydrogen 2.967 N/A CYS 461.A N TYR 551.A O no hydrogen 2.887 N/A CYS 461.A SG MET 459.A O no hydrogen 3.470 N/A SER 463.A N ARG 549.A O no hydrogen 2.943 N/A SER 463.A OG ASP 546.A O no hydrogen 2.983 N/A SER 463.A OG ARG 549.A O no hydrogen 3.356 N/A VAL 464.A N GLU 529.A OE2 no hydrogen 2.785 N/A GLY 465.A N GLU 529.A OE1 no hydrogen 2.569 N/A THR 466.A N THR 545.A O no hydrogen 2.843 N/A ILE 471.A N PRO 468.A O no hydrogen 3.060 N/A ILE 472.A N PRO 468.A O no hydrogen 3.042 N/A THR 473.A N MET 469.A O no hydrogen 2.953 N/A THR 473.A OG1 MET 469.A O no hydrogen 3.273 N/A PHE 474.A N PRO 470.A O no hydrogen 2.973 N/A LEU 475.A N ILE 471.A O no hydrogen 2.605 N/A SER 476.A N ILE 472.A O no hydrogen 3.335 N/A SER 476.A OG ILE 472.A O no hydrogen 3.339 N/A GLU 477.A N THR 473.A O no hydrogen 3.209 N/A TRP 478.A N LEU 475.A O no hydrogen 3.001 N/A MET 480.A N LEU 475.A O no hydrogen 2.868 N/A GLU 481.A N VAL 506.A O no hydrogen 2.445 N/A TYR 486.A N LEU 483.A O no hydrogen 3.057 N/A HIS 489.A ND1 GLU 239.A OE2 no hydrogen 2.420 N/A SER 491.A N VAL 487.A O no hydrogen 3.019 N/A SER 491.A OG VAL 487.A O no hydrogen 3.150 N/A ALA 494.A N SER 491.A O no hydrogen 3.224 N/A ARG 496.A N LYS 539.A O no hydrogen 2.534 N/A VAL 497.A N GLY 505.A O no hydrogen 3.256 N/A PHE 498.A N LEU 541.A O no hydrogen 2.817 N/A VAL 499.A N VAL 502.A O no hydrogen 2.755 N/A ASN 500.A N ILE 543.A O no hydrogen 2.738 N/A ASN 500.A ND2 GLU 185.A OE1 no hydrogen 3.528 N/A VAL 502.A N VAL 499.A O no hydrogen 3.137 N/A TRP 503.A NE1 GLY 505.A O no hydrogen 2.361 N/A HIS 504.A N VAL 497.A O no hydrogen 3.033 N/A GLY 505.A N VAL 497.A O no hydrogen 3.459 N/A VAL 506.A N GLU 481.A O no hydrogen 2.811 N/A HIS 507.A N THR 495.A O no hydrogen 2.798 N/A ARG 508.A NE GLU 481.A OE2 no hydrogen 2.573 N/A ARG 508.A NH2 GLU 481.A OE2 no hydrogen 3.284 N/A MET 514.A N PRO 510.A O no hydrogen 2.577 N/A GLU 515.A N ALA 511.A O no hydrogen 2.790 N/A THR 516.A OG1 ARG 512.A O no hydrogen 2.625 N/A THR 516.A OG1 LEU 513.A O no hydrogen 3.452 N/A LEU 517.A N LEU 513.A O no hydrogen 2.857 N/A ARG 518.A N MET 514.A O no hydrogen 2.789 N/A THR 519.A N GLU 515.A O no hydrogen 2.619 N/A THR 519.A OG1 GLU 515.A O no hydrogen 3.110 N/A LEU 520.A N THR 516.A O no hydrogen 2.613 N/A ARG 521.A N LEU 517.A O no hydrogen 3.238 N/A ARG 521.A NE VAL 530.A O no hydrogen 2.874 N/A ARG 521.A NH1 GLU 599.A OE2 no hydrogen 2.591 N/A ARG 521.A NH1 GLU 605.A OE2 no hydrogen 2.798 N/A ARG 521.A NH2 VAL 530.A O no hydrogen 2.940 N/A ARG 521.A NH2 GLU 605.A OE1 no hydrogen 2.394 N/A ARG 521.A NH2 GLU 605.A OE2 no hydrogen 2.794 N/A ARG 522.A N ARG 518.A O no hydrogen 2.893 N/A ARG 522.A NE GLU 599.A OE2 no hydrogen 2.754 N/A ARG 522.A NH2 GLU 599.A OE2 no hydrogen 2.967 N/A LYS 523.A N THR 519.A O no hydrogen 3.076 N/A LYS 523.A N LEU 520.A O no hydrogen 3.237 N/A LYS 523.A NZ ASP 525.A OD2 no hydrogen 3.357 N/A GLY 524.A N LEU 520.A O no hydrogen 3.066 N/A ILE 526.A N LEU 520.A O no hydrogen 3.137 N/A GLU 529.A N ASN 527.A OD1 no hydrogen 3.214 N/A VAL 530.A N ASN 527.A O no hydrogen 2.929 N/A SER 531.A N PHE 544.A O no hydrogen 2.858 N/A SER 531.A OG ASP 602.A OD1 no hydrogen 2.678 N/A SER 531.A OG ASP 602.A OD2 no hydrogen 3.020 N/A SER 531.A OG GLU 605.A OE1 no hydrogen 3.437 N/A MET 532.A N GLU 605.A OE1 no hydrogen 2.919 N/A ILE 533.A N LYS 542.A O no hydrogen 2.894 N/A ASP 535.A N GLU 540.A O no hydrogen 2.772 N/A GLU 538.A N ASP 535.A O no hydrogen 2.777 N/A LYS 539.A NZ PRO 492.A O no hydrogen 2.704 N/A LEU 541.A N ARG 496.A O no hydrogen 3.056 N/A LYS 542.A N ILE 533.A O no hydrogen 2.874 N/A LYS 542.A NZ TYR 320.A OH no hydrogen 3.566 N/A LYS 542.A NZ GLU 540.A OE1 no hydrogen 2.537 N/A ILE 543.A N PHE 498.A O no hydrogen 2.897 N/A PHE 544.A N SER 531.A O no hydrogen 2.463 N/A THR 545.A N ASN 500.A OD1 no hydrogen 2.406 N/A THR 545.A OG1 ASN 500.A OD1 no hydrogen 2.661 N/A GLY 548.A N SER 463.A O no hydrogen 3.102 N/A ARG 549.A N SER 463.A OG no hydrogen 2.914 N/A ARG 549.A NE ASP 546.A O no hydrogen 2.589 N/A ARG 549.A NE ASP 546.A OD1 no hydrogen 2.906 N/A ARG 549.A NH1 GLU 529.A O no hydrogen 2.952 N/A ARG 549.A NH2 GLU 529.A O no hydrogen 3.517 N/A ARG 549.A NH2 ASP 546.A O no hydrogen 2.700 N/A TYR 551.A N CYS 461.A O no hydrogen 3.095 N/A ARG 552.A N ILE 601.A O no hydrogen 2.864 N/A ARG 552.A NE GLU 606.A OE2 no hydrogen 2.765 N/A ARG 552.A NH1 GLU 641.A OE1 no hydrogen 2.813 N/A ARG 552.A NH1 GLU 641.A OE2 no hydrogen 3.280 N/A ARG 552.A NH2 GLU 606.A OE2 no hydrogen 2.580 N/A ARG 552.A NH2 GLU 641.A OE2 no hydrogen 2.542 N/A LEU 554.A N GLU 599.A O no hydrogen 2.950 N/A PHE 555.A N CYS 640.A O no hydrogen 2.720 N/A ILE 556.A N LEU 597.A O no hydrogen 2.850 N/A VAL 557.A N THR 638.A O no hydrogen 3.189 N/A ASP 559.A N GLU 558.A OE1 no hydrogen 3.099 N/A GLU 561.A N GLU 558.A O no hydrogen 3.506 N/A GLY 564.A N GLU 561.A OE1 no hydrogen 3.019 N/A GLY 564.A N GLU 561.A OE2 no hydrogen 3.451 N/A LYS 569.A N ILE 556.A O no hydrogen 2.938 N/A LYS 569.A NZ GLY 596.A O no hydrogen 2.732 N/A ARG 571.A NH1 SER 5.A O no hydrogen 3.366 N/A LYS 572.A N ALA 6.A O no hydrogen 2.919 N/A LYS 572.A NZ ASP 12.A OD1 no hydrogen 3.238 N/A HIS 574.A ND1 TYR 587.A OH no hydrogen 2.829 N/A ILE 575.A N ARG 571.A O no hydrogen 3.308 N/A ALA 576.A N LYS 572.A O no hydrogen 3.103 N/A LYS 577.A N GLY 573.A O no hydrogen 3.162 N/A LEU 578.A N HIS 574.A O no hydrogen 3.017 N/A MET 579.A N ILE 575.A O no hydrogen 2.819 N/A ALA 580.A N ALA 576.A O no hydrogen 2.863 N/A THR 581.A N LYS 577.A O no hydrogen 3.227 N/A THR 581.A OG1 LYS 577.A O no hydrogen 3.294 N/A THR 581.A OG1 TYR 587.A O no hydrogen 3.379 N/A GLU 582.A N LEU 578.A O no hydrogen 3.016 N/A TYR 583.A N MET 579.A O no hydrogen 3.085 N/A GLN 584.A N ALA 580.A O no hydrogen 3.009 N/A GLN 584.A NE2 ALA 580.A O no hydrogen 3.211 N/A TYR 587.A N THR 581.A OG1 no hydrogen 2.978 N/A TYR 587.A OH HIS 574.A ND1 no hydrogen 2.829 N/A TYR 587.A OH GLU 595.A OE1 no hydrogen 2.849 N/A THR 588.A N SER 591.A OG no hydrogen 2.853 N/A THR 588.A OG1 GLU 586.A O no hydrogen 3.474 N/A TRP 589.A NE1 TYR 600.A OH no hydrogen 2.457 N/A SER 590.A N GLU 23.A OE1 no hydrogen 3.343 N/A SER 590.A OG GLU 23.A OE1 no hydrogen 3.452 N/A SER 590.A OG GLU 23.A OE2 no hydrogen 2.611 N/A LEU 592.A N THR 588.A O no hydrogen 3.212 N/A LEU 593.A N TRP 589.A O no hydrogen 3.117 N/A ASN 594.A N SER 590.A O no hydrogen 2.868 N/A GLU 595.A N SER 591.A O no hydrogen 2.848 N/A GLY 596.A N LEU 593.A O no hydrogen 3.212 N/A LEU 597.A N LEU 592.A O no hydrogen 3.059 N/A VAL 598.A N LEU 592.A O no hydrogen 3.285 N/A GLU 599.A N LEU 554.A O no hydrogen 3.000 N/A ILE 601.A N ARG 552.A O no hydrogen 2.790 N/A GLU 605.A N ASP 602.A OD1 no hydrogen 3.062 N/A GLU 606.A N ASP 602.A O no hydrogen 2.832 N/A GLU 607.A N GLU 604.A O no hydrogen 3.198 N/A SER 608.A N GLU 605.A O no hydrogen 2.841 N/A SER 608.A OG GLU 605.A O no hydrogen 2.865 N/A LEU 610.A N THR 638.A OG1 no hydrogen 3.158 N/A ALA 612.A N HIS 639.A O no hydrogen 2.813 N/A ASP 617.A N GLN 614.A O no hydrogen 2.724 N/A LEU 618.A N PRO 615.A O no hydrogen 2.694 N/A ARG 627.A NH1 ASP 659.A OD2 no hydrogen 3.039 N/A ARG 627.A NH2 ASP 659.A OD2 no hydrogen 3.528 N/A ARG 629.A NH2 THR 934.A O no hydrogen 3.381 N/A ALA 634.A N HIS 632.A O no hydrogen 2.876 N/A THR 638.A N LEU 610.A O no hydrogen 2.891 N/A THR 638.A OG1 LEU 610.A O no hydrogen 3.334 N/A THR 638.A OG1 HIS 639.A ND1 no hydrogen 2.816 N/A HIS 639.A N LEU 610.A O no hydrogen 3.259 N/A HIS 639.A ND1 THR 638.A OG1 no hydrogen 2.816 N/A HIS 639.A NE2 GLU 599.A OE1 no hydrogen 2.764 N/A CYS 640.A N PHE 555.A O no hydrogen 2.717 N/A CYS 640.A SG ALA 612.A O no hydrogen 3.768 N/A CYS 640.A SG GLU 641.A O no hydrogen 3.138 N/A GLU 641.A N ALA 612.A O no hydrogen 2.808 N/A MET 646.A N HIS 643.A O no hydrogen 2.906 N/A ILE 647.A N PRO 644.A O no hydrogen 2.958 N/A SER 653.A N VAL 650.A O no hydrogen 2.559 N/A SER 653.A OG GLY 649.A O no hydrogen 2.804 N/A ILE 654.A N ALA 651.A O no hydrogen 3.283 N/A ILE 655.A N ALA 652.A O no hydrogen 3.138 N/A PHE 657.A N ALA 930.A O no hydrogen 2.589 N/A HIS 660.A N PHE 657.A O no hydrogen 2.909 N/A ASN 661.A N PRO 658.A O no hydrogen 3.209 N/A ASN 661.A ND2 ASN 666.A OD1 no hydrogen 3.234 N/A ASN 661.A ND2 HIS 870.A ND1 no hydrogen 3.196 N/A ARG 665.A NH1 GLY 871.A O no hydrogen 2.199 N/A ASN 666.A N SER 663.A O no hydrogen 3.085 N/A ASN 666.A ND2 PRO 658.A O no hydrogen 3.168 N/A THR 667.A OG1 ALA 442.A O no hydrogen 3.327 N/A TYR 668.A N PRO 664.A O no hydrogen 3.026 N/A GLN 669.A N ARG 665.A O no hydrogen 3.091 N/A GLN 669.A NE2 GLN 979.A OE1 no hydrogen 3.328 N/A SER 670.A N ASN 666.A O no hydrogen 2.953 N/A SER 670.A OG ASN 666.A O no hydrogen 3.147 N/A ALA 671.A N THR 667.A O no hydrogen 3.234 N/A ALA 671.A N TYR 668.A O no hydrogen 2.826 N/A MET 672.A N TYR 668.A O no hydrogen 3.073 N/A GLY 673.A N GLN 669.A O no hydrogen 2.868 N/A LYS 674.A N ALA 671.A O no hydrogen 2.555 N/A LYS 674.A NZ GLU 443.A OE2 no hydrogen 2.791 N/A LYS 674.A NZ SER 670.A O no hydrogen 2.781 N/A GLN 675.A N MET 672.A O no hydrogen 2.440 N/A ALA 676.A N GLY 673.A O no hydrogen 3.126 N/A MET 677.A N ARG 980.A O no hydrogen 2.719 N/A ASN 683.A ND2 LYS 133.A O no hydrogen 3.337 N/A VAL 686.A N ASN 683.A O no hydrogen 2.994 N/A ARG 687.A N TYR 684.A O no hydrogen 3.269 N/A ARG 687.A NH1 ASP 689.A OD1 no hydrogen 2.813 N/A ARG 687.A NH2 GLU 149.A OE2 no hydrogen 2.792 N/A ILE 694.A N LEU 753.A O no hydrogen 3.192 N/A LEU 695.A N GLY 678.A O no hydrogen 2.974 N/A TYR 696.A N ARG 751.A O no hydrogen 3.164 N/A TYR 696.A OH THR 857.A OG1 no hydrogen 2.300 N/A GLN 699.A N GLY 719.A O no hydrogen 3.320 N/A LEU 702.A N ASN 721.A OD1 no hydrogen 2.810 N/A THR 705.A OG1 SER 653.A O no hydrogen 3.365 N/A THR 705.A OG1 ILE 655.A O no hydrogen 3.520 N/A ARG 706.A N SER 931.A OG no hydrogen 2.537 N/A GLU 709.A N ARG 706.A O no hydrogen 2.950 N/A TYR 710.A N ALA 707.A O no hydrogen 3.205 N/A TYR 710.A OH SER 18.A OG no hydrogen 2.598 N/A LEU 711.A N MET 708.A O no hydrogen 3.100 N/A LYS 712.A N GLU 709.A O no hydrogen 3.137 N/A PHE 713.A N MET 708.A O no hydrogen 3.316 N/A GLU 715.A N LYS 712.A O no hydrogen 3.335 N/A LEU 716.A N LYS 712.A O no hydrogen 2.952 N/A GLN 720.A N TYR 978.A O no hydrogen 2.892 N/A GLN 720.A NE2 TYR 697.A O no hydrogen 3.075 N/A ASN 721.A N GLN 699.A OE1 no hydrogen 2.794 N/A ASN 721.A ND2 GLN 699.A OE1 no hydrogen 3.311 N/A ASN 721.A ND2 LYS 700.A O no hydrogen 2.745 N/A ALA 722.A N THR 976.A O no hydrogen 3.068 N/A ILE 723.A N ASP 895.A OD2 no hydrogen 2.754 N/A VAL 724.A N GLY 974.A O no hydrogen 2.712 N/A ALA 725.A N LEU 896.A O no hydrogen 2.586 N/A ILE 726.A N PHE 972.A O no hydrogen 3.098 N/A ALA 727.A N ILE 898.A O no hydrogen 2.831 N/A CYS 728.A SG HIS 901.A NE2 no hydrogen 3.885 N/A TYR 729.A OH ASP 884.A O no hydrogen 2.844 N/A SER 730.A OG TYR 880.A OH no hydrogen 2.463 N/A ASN 733.A ND2 ALA 727.A O no hydrogen 2.692 N/A ASN 733.A ND2 ILE 897.A O no hydrogen 3.533 N/A GLN 734.A NE2 GLY 731.A O no hydrogen 3.029 N/A SER 737.A N GLN 734.A O no hydrogen 3.042 N/A SER 737.A OG TYR 732.A O no hydrogen 3.178 N/A SER 737.A OG GLN 734.A O no hydrogen 2.755 N/A ILE 739.A N ILE 897.A O no hydrogen 3.065 N/A MET 740.A N ILE 878.A O no hydrogen 2.853 N/A ASN 741.A N ASP 895.A O no hydrogen 2.745 N/A ASN 741.A ND2 PRO 894.A O no hydrogen 2.981 N/A GLN 742.A N TYR 880.A O no hydrogen 2.368 N/A SER 744.A N ASN 741.A OD1 no hydrogen 2.585 N/A SER 744.A OG ASP 895.A OD1 no hydrogen 2.421 N/A ILE 745.A N ASN 741.A O no hydrogen 3.102 N/A ASP 746.A N GLN 742.A O no hydrogen 2.942 N/A ARG 747.A N SER 743.A O no hydrogen 2.980 N/A GLY 748.A N ILE 745.A O no hydrogen 2.742 N/A LEU 749.A N SER 744.A O no hydrogen 3.217 N/A PHE 750.A N GLN 720.A OE1 no hydrogen 2.660 N/A ARG 751.A N GLY 748.A O no hydrogen 2.966 N/A SER 752.A N LYS 858.A O no hydrogen 2.991 N/A LEU 753.A N ILE 694.A O no hydrogen 2.714 N/A PHE 755.A N ALA 692.A O no hydrogen 2.655 N/A ARG 756.A N VAL 854.A O no hydrogen 3.396 N/A ARG 756.A NH1 GLU 831.A OE2 no hydrogen 3.069 N/A SER 757.A N THR 690.A O no hydrogen 2.993 N/A SER 757.A OG ASP 689.A O no hydrogen 2.842 N/A TYR 758.A N VAL 852.A O no hydrogen 2.604 N/A ASP 760.A N VAL 850.A O no hydrogen 3.122 N/A GLN 761.A N ASP 760.A OD1 no hydrogen 2.782 N/A LYS 763.A NZ THR 770.A OG1 no hydrogen 2.614 N/A SER 768.A OG MET 767.A O no hydrogen 2.961 N/A ILE 769.A N GLY 766.A O no hydrogen 3.042 N/A THR 772.A N THR 814.A O no hydrogen 3.030 N/A THR 779.A OG1 ARG 778.A O no hydrogen 2.673 N/A LYS 785.A N TYR 789.A OH no hydrogen 3.516 N/A TYR 789.A OH ASP 822.A OD2 no hydrogen 2.711 N/A LYS 791.A NZ ARG 803.A O no hydrogen 2.737 N/A LYS 791.A NZ ASP 808.A OD2 no hydrogen 3.399 N/A LEU 792.A N TYR 789.A O no hydrogen 2.947 N/A ASP 793.A N LEU 797.A O no hydrogen 3.189 N/A GLY 796.A N ASP 793.A O no hydrogen 2.733 N/A LEU 797.A N ASP 795.A OD1 no hydrogen 3.322 N/A GLY 801.A N VAL 835.A O no hydrogen 3.037 N/A VAL 802.A N ALA 799.A O no hydrogen 3.371 N/A VAL 804.A N GLY 833.A O no hydrogen 3.029 N/A SER 805.A N ASP 808.A OD2 no hydrogen 3.312 N/A ASP 808.A N SER 805.A O no hydrogen 2.876 N/A VAL 809.A N THR 788.A O no hydrogen 3.484 N/A ILE 810.A N THR 825.A O no hydrogen 3.168 N/A ILE 811.A N THR 825.A O no hydrogen 3.342 N/A GLY 812.A N GLY 796.A O no hydrogen 2.857 N/A LYS 813.A NZ ASP 760.A OD1 no hydrogen 3.108 N/A LYS 813.A NZ ASP 760.A OD2 no hydrogen 3.349 N/A LYS 813.A NZ GLU 771.A OE1 no hydrogen 2.903 N/A LYS 813.A NZ GLU 771.A OE2 no hydrogen 3.151 N/A THR 814.A OG1 THR 772.A O no hydrogen 3.533 N/A THR 815.A N ARG 821.A O no hydrogen 2.844 N/A THR 815.A OG1 GLU 771.A OE2 no hydrogen 2.562 N/A SER 819.A OG THR 779.A O no hydrogen 3.069 N/A ARG 821.A N THR 815.A O no hydrogen 3.242 N/A ASP 822.A N ARG 783.A O no hydrogen 3.120 N/A SER 824.A OG ASP 822.A OD1 no hydrogen 2.568 N/A SER 824.A OG ASP 822.A OD2 no hydrogen 3.260 N/A THR 825.A N ILE 811.A O no hydrogen 3.375 N/A LEU 827.A N ASP 808.A O no hydrogen 2.715 N/A ARG 828.A N TYR 758.A OH no hydrogen 2.971 N/A GLY 833.A N VAL 804.A O no hydrogen 2.762 N/A ILE 834.A N ARG 855.A O no hydrogen 2.738 N/A VAL 835.A N VAL 802.A O no hydrogen 3.180 N/A ASP 836.A N ARG 853.A O no hydrogen 2.661 N/A GLN 837.A N ARG 853.A O no hydrogen 3.231 N/A LEU 839.A N LYS 851.A O no hydrogen 2.725 N/A THR 841.A N PHE 849.A O no hydrogen 2.548 N/A ASN 843.A N LEU 847.A O no hydrogen 2.937 N/A GLN 844.A N ASN 843.A OD1 no hydrogen 2.734 N/A PHE 849.A N THR 841.A O no hydrogen 2.842 N/A VAL 850.A N ASP 760.A O no hydrogen 3.072 N/A LYS 851.A N LEU 839.A O no hydrogen 2.554 N/A LYS 851.A NZ ARG 83.A O no hydrogen 3.149 N/A LYS 851.A NZ LEU 84.A O no hydrogen 2.810 N/A VAL 852.A N TYR 758.A O no hydrogen 2.790 N/A ARG 853.A N GLN 837.A O no hydrogen 2.695 N/A ARG 853.A NH1 GLN 837.A OE1 no hydrogen 2.966 N/A VAL 854.A N ARG 756.A O no hydrogen 2.743 N/A ARG 855.A N ILE 834.A O no hydrogen 2.529 N/A ARG 855.A NH1 ASP 836.A OD2 no hydrogen 2.310 N/A THR 856.A N PHE 754.A O no hydrogen 2.930 N/A THR 856.A OG1 ASN 832.A O no hydrogen 3.504 N/A THR 857.A OG1 TYR 696.A OH no hydrogen 2.300 N/A LYS 858.A N SER 752.A O no hydrogen 2.582 N/A GLN 861.A N ASP 864.A OD2 no hydrogen 2.891 N/A GLY 863.A N ILE 876.A O no hydrogen 2.832 N/A ASP 864.A N GLN 861.A O no hydrogen 3.366 N/A PHE 866.A N GLY 874.A O no hydrogen 2.764 N/A ALA 867.A N GLN 979.A O no hydrogen 3.066 N/A ARG 869.A NE ILE 654.A O no hydrogen 3.047 N/A ARG 869.A NH2 ILE 654.A O no hydrogen 3.340 N/A ARG 869.A NH2 GLY 703.A O no hydrogen 2.583 N/A HIS 870.A NE2 GLU 914.A OE2 no hydrogen 2.664 N/A GLN 872.A NE2 LYS 873.A O no hydrogen 2.596 N/A GLY 874.A N PHE 866.A O no hydrogen 2.797 N/A THR 875.A N ASP 736.A O no hydrogen 3.193 N/A THR 875.A OG1 ILE 876.A O no hydrogen 3.503 N/A ILE 876.A N ASP 864.A O no hydrogen 2.935 N/A GLY 877.A N MET 738.A O no hydrogen 2.474 N/A THR 879.A OG1 GLN 742.A OE1 no hydrogen 3.012 N/A TYR 880.A N MET 740.A O no hydrogen 2.951 N/A TYR 880.A OH SER 730.A OG no hydrogen 2.463 N/A ARG 882.A N SER 743.A OG no hydrogen 2.926 N/A ASP 884.A N ARG 881.A O no hydrogen 3.060 N/A MET 885.A N ARG 881.A O no hydrogen 3.297 N/A PHE 887.A N TYR 959.A O no hydrogen 2.795 N/A THR 888.A N ILE 892.A O no hydrogen 2.703 N/A THR 888.A OG1 GLU 956.A OE1 no hydrogen 2.817 N/A THR 888.A OG1 VAL 957.A O no hydrogen 3.460 N/A GLY 891.A N THR 888.A O no hydrogen 2.471 N/A LEU 896.A N ILE 723.A O no hydrogen 2.944 N/A ILE 897.A N ILE 739.A O no hydrogen 2.794 N/A ILE 898.A N ALA 725.A O no hydrogen 2.719 N/A ASN 899.A ND2 ASN 733.A OD1 no hydrogen 3.099 N/A HIS 901.A N ASN 899.A OD1 no hydrogen 2.948 N/A ALA 902.A N ASN 899.A O no hydrogen 3.164 N/A ILE 903.A N PRO 900.A O no hydrogen 3.030 N/A ARG 906.A NH2 ASP 736.A OD1 no hydrogen 3.411 N/A MET 907.A N ILE 903.A O no hydrogen 3.153 N/A MET 907.A N PRO 904.A O no hydrogen 3.263 N/A THR 908.A OG1 ASN 661.A OD1 no hydrogen 3.443 N/A VAL 909.A N MET 907.A O no hydrogen 2.800 N/A HIS 911.A NE2 TYR 978.A OH no hydrogen 2.894 N/A LEU 912.A N VAL 909.A O no hydrogen 2.715 N/A ILE 913.A N VAL 909.A O no hydrogen 2.976 N/A GLU 914.A N ALA 910.A O no hydrogen 2.615 N/A CYS 915.A N HIS 911.A O no hydrogen 3.106 N/A CYS 915.A SG PRO 975.A O no hydrogen 3.649 N/A CYS 915.A SG THR 976.A OG1 no hydrogen 3.570 N/A LEU 916.A N LEU 912.A O no hydrogen 2.735 N/A LEU 917.A N ILE 913.A O no hydrogen 2.937 N/A SER 918.A N GLU 914.A O no hydrogen 2.333 N/A SER 918.A OG GLU 914.A O no hydrogen 3.218 N/A LYS 919.A N CYS 915.A O no hydrogen 3.056 N/A LYS 919.A NZ GLY 954.A O no hydrogen 2.701 N/A LYS 919.A NZ GLU 956.A OE2 no hydrogen 2.882 N/A LYS 919.A NZ PHE 973.A O no hydrogen 2.980 N/A VAL 920.A N LEU 916.A O no hydrogen 3.264 N/A ALA 921.A N LEU 917.A O no hydrogen 2.916 N/A ALA 922.A N SER 918.A O no hydrogen 2.902 N/A LEU 923.A N LYS 919.A O no hydrogen 2.950 N/A SER 924.A N ALA 921.A O no hydrogen 2.973 N/A SER 924.A OG VAL 920.A O no hydrogen 3.004 N/A SER 924.A OG ALA 921.A O no hydrogen 3.334 N/A ASN 926.A ND2 SER 924.A OG no hydrogen 3.281 N/A GLY 928.A N LEU 702.A O no hydrogen 3.088 N/A ALA 930.A N THR 704.A O no hydrogen 2.758 N/A SER 931.A N ASP 929.A OD1 no hydrogen 3.380 N/A SER 931.A OG ASP 929.A OD1 no hydrogen 3.414 N/A PHE 933.A N ASP 659.A OD2 no hydrogen 2.591 N/A THR 934.A OG1 SER 931.A O no hydrogen 3.136 N/A ILE 936.A N THR 934.A OG1 no hydrogen 3.413 N/A THR 937.A OG1 ASP 935.A O no hydrogen 3.098 N/A ILE 941.A N THR 937.A O no hydrogen 2.665 N/A SER 942.A N VAL 938.A O no hydrogen 2.790 N/A SER 942.A OG VAL 938.A O no hydrogen 2.943 N/A SER 942.A OG SER 952.A O no hydrogen 2.684 N/A LYS 943.A N GLU 939.A O no hydrogen 3.133 N/A LEU 944.A N GLY 940.A O no hydrogen 3.129 N/A LEU 945.A N ILE 941.A O no hydrogen 3.130 N/A ARG 946.A N SER 942.A O no hydrogen 2.929 N/A ARG 946.A NE ARG 946.A O no hydrogen 2.993 N/A GLU 947.A N LYS 943.A O no hydrogen 2.979 N/A HIS 948.A N LEU 944.A O no hydrogen 3.081 N/A GLY 949.A N ARG 946.A O no hydrogen 2.819 N/A TYR 950.A N LEU 945.A O no hydrogen 3.413 N/A TYR 950.A OH GLU 890.A OE1 no hydrogen 2.475 N/A TYR 950.A OH GLU 890.A OE2 no hydrogen 2.866 N/A ARG 953.A NH1 GLU 939.A OE1 no hydrogen 2.406 N/A ARG 953.A NH1 SER 942.A OG no hydrogen 2.852 N/A ARG 953.A NH2 GLU 939.A OE2 no hydrogen 2.883 N/A GLY 954.A N GLN 951.A O no hydrogen 3.294 N/A GLU 956.A N ILE 971.A O no hydrogen 3.208 N/A TYR 959.A N PHE 887.A O no hydrogen 2.638 N/A ASN 960.A N LYS 965.A O no hydrogen 2.719 N/A GLY 961.A N TYR 729.A OH no hydrogen 3.006 N/A HIS 962.A N ASN 960.A OD1 no hydrogen 2.739 N/A GLY 964.A N ASN 960.A O no hydrogen 2.749 N/A LEU 967.A N MET 958.A O no hydrogen 2.601 N/A ILE 971.A N GLU 956.A O no hydrogen 3.113 N/A PHE 973.A N GLY 954.A O no hydrogen 3.159 N/A GLY 974.A N VAL 724.A O no hydrogen 2.959 N/A THR 976.A N ALA 722.A O no hydrogen 3.059 N/A TYR 977.A N GLU 914.A OE1 no hydrogen 2.788 N/A TYR 977.A OH GLN 699.A O no hydrogen 3.251 N/A TYR 978.A N GLN 720.A O no hydrogen 2.880 N/A TYR 978.A OH HIS 911.A NE2 no hydrogen 2.894 N/A GLN 979.A N ALA 867.A O no hydrogen 2.785 N/A ARG 980.A NH1 LYS 858.A O no hydrogen 2.664 N/A ARG 980.A NH2 ASP 864.A OD2 no hydrogen 2.816 N/A LEU 981.A N LYS 865.A O no hydrogen 3.134 N/A ARG 982.A N GLN 675.A O no hydrogen 3.200 N/A ARG 982.A NH1 LYS 674.A O no hydrogen 3.508 N/A ARG 982.A NH2 LYS 674.A O no hydrogen 3.235 N/A VAL 985.A N ASP 864.A OD1 no hydrogen 3.361 N/A ASP 987.A N MET 984.A O no hydrogen 2.704 N/A LYS 988.A N VAL 985.A O no hydrogen 2.710 N/A ALA 993.A N ALA 991.A O no hydrogen 2.992 N/A GLY 1001.A N GLU 1004.A OE1 no hydrogen 2.548 N/A ARG 1005.A N GLY 1001.A O no hydrogen 2.902 N/A ARG 1005.A NH1 GLU 1002.A OE2 no hydrogen 2.726 N/A ASP 1006.A N GLU 1002.A O no hydrogen 2.777 N/A CYS 1007.A N MET 1003.A O no hydrogen 3.022 N/A CYS 1007.A SG MET 1003.A O no hydrogen 3.671 N/A MET 1008.A N GLU 1004.A O no hydrogen 3.052 N/A ILE 1009.A N ARG 1005.A O no hydrogen 2.973 N/A ALA 1010.A N ASP 1006.A O no hydrogen 3.177 N/A HIS 1011.A N CYS 1007.A O no hydrogen 3.103 N/A GLY 1012.A N MET 1008.A O no hydrogen 3.083 N/A GLY 1012.A N ILE 1009.A O no hydrogen 2.663 N/A ALA 1013.A N MET 1008.A O no hydrogen 3.014 N/A ALA 1014.A N GLY 1012.A O no hydrogen 2.827 N/A LEU 1017.A N ALA 1013.A O no hydrogen 3.106 N/A LYS 1018.A N ALA 1014.A O no hydrogen 2.700 N/A GLU 1019.A N SER 1015.A O no hydrogen 2.787 N/A ARG 1020.A N PHE 1016.A O no hydrogen 2.881 N/A LEU 1021.A N LEU 1017.A O no hydrogen 3.123 N/A LEU 1021.A N LYS 1018.A O no hydrogen 3.199 N/A MET 1022.A N LYS 1018.A O no hydrogen 2.793 N/A PHE 1028.A N ASP 1026.A O no hydrogen 2.617 N/A VAL 1030.A N ILE 1064.A O no hydrogen 3.069 N/A ILE 1032.A N TYR 1062.A O no hydrogen 2.673 N/A CYS 1033.A N LEU 1038.A O no hydrogen 3.363 N/A GLY 1034.A N ASP 1060.A O no hydrogen 3.080 N/A CYS 1036.A SG CYS 1036.A O no hydrogen 2.647 N/A LEU 1038.A N CYS 1036.A O no hydrogen 2.303 N/A ILE 1042.A N GLU 1051.A O no hydrogen 2.948 N/A LYS 1044.A N GLN 1049.A O no hydrogen 2.645 N/A LYS 1044.A NZ GLN 1049.A OE1 no hydrogen 3.033 N/A LYS 1044.A NZ GLU 1051.A OE2 no hydrogen 3.394 N/A ASN 1048.A N LEU 1045.A O no hydrogen 3.116 N/A GLN 1049.A N LYS 1044.A O no hydrogen 2.712 N/A GLU 1051.A N ILE 1042.A O no hydrogen 2.974 N/A CYS 1052.A N ASN 1057.A O no hydrogen 2.797 N/A CYS 1052.A SG THR 1040.A O no hydrogen 3.828 N/A CYS 1052.A SG THR 1040.A OG1 no hydrogen 2.915 N/A CYS 1052.A SG LYS 1053.A O no hydrogen 3.811 N/A ASN 1057.A N CYS 1052.A O no hydrogen 3.157 N/A ILE 1061.A N ILE 1059.A O no hydrogen 2.862 N/A TYR 1062.A N ILE 1032.A O no hydrogen 2.990 N/A ILE 1064.A N VAL 1030.A O no hydrogen 3.185 N/A ILE 1066.A N PHE 1028.A O no hydrogen 2.889 N/A TYR 1068.A N ASP 1026.A O no hydrogen 3.195 N/A ALA 1070.A N PRO 1067.A O no hydrogen 2.782 N/A LYS 1071.A N PRO 1067.A O no hydrogen 3.065 N/A LYS 1071.A NZ TYR 1068.A OH no hydrogen 2.856 N/A LEU 1072.A N TYR 1068.A O no hydrogen 2.825 N/A PHE 1074.A N ALA 1070.A O no hydrogen 2.810 N/A GLN 1075.A N LYS 1071.A O no hydrogen 2.907 N/A GLU 1076.A N LEU 1072.A O no hydrogen 2.658 N/A LEU 1077.A N LEU 1073.A O no hydrogen 2.872 N/A MET 1078.A N PHE 1074.A O no hydrogen 2.710 N/A ALA 1079.A N GLN 1075.A O no hydrogen 2.674 N/A MET 1080.A N GLU 1076.A O no hydrogen 3.193 N/A MET 1080.A N LEU 1077.A O no hydrogen 3.209 N/A ASN 1081.A N MET 1078.A O no hydrogen 2.900 N/A ILE 1082.A N LEU 1077.A O no hydrogen 2.935 N/A LEU 1086.A N GLY 1037.A O no hydrogen 2.601 N/A TYR 1087.A OH ILE 1035.A O no hydrogen 2.733 N/A