USER MOD reduce.3.24.130724 H: found=0, std=0, add=1217, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1215 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 539 TYR OH : rot -14:sc= 0.191 USER MOD Set 1.2: A 556 THR OG1 : rot 173:sc= 0.174 USER MOD Set 2.1: A 515 SER OG : rot 180:sc= 0.126 USER MOD Set 2.2: A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 501 HIS : no HE2:sc= -0.811 K(o=-0.81,f=-6.1!) USER MOD Single : A 506 THR OG1 : rot 21:sc= 0.859 USER MOD Single : A 512 THR OG1 : rot 85:sc= 0.848 USER MOD Single : A 513 HIS : no HE2:sc= 1.03 K(o=1,f=-3.8!) USER MOD Single : A 517 SER OG : rot -46:sc= 0.0997 USER MOD Single : A 521 MET CE :methyl -179:sc= -3.91! (180deg=-3.95!) USER MOD Single : A 524 LYS NZ :NH3+ 157:sc= -0.095 (180deg=-0.572) USER MOD Single : A 528 THR OG1 : rot -120:sc= -2.45! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.5) USER MOD Single : A 540 LYS NZ :NH3+ -132:sc= 0.822 (180deg=0.0322) USER MOD Single : A 541 THR OG1 : rot 83:sc= 0.87 USER MOD Single : A 545 THR OG1 : rot -37:sc= 0.653 USER MOD Single : A 557 CYS SG : rot -95:sc= 1.16 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.106 K(o=-0.11,f=-5.6!) USER MOD Single : A 569 LYS NZ :NH3+ 178:sc= 2.36 (180deg=2.25) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 42:sc= 0.151 USER MOD Single : A 574 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.556) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.3) USER MOD Single : A 585 LYS NZ :NH3+ 179:sc= 0.874 (180deg=0.81) USER MOD Single : A 586 THR OG1 : rot 34:sc= 0.785 USER MOD Single : A 599 MET CE :methyl -167:sc= -0.483 (180deg=-0.842) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.09) USER MOD Single : A 607 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 609 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.1) USER MOD Single : A 616 GLN : amide:sc= 0.542 K(o=0.54,f=-4.7!) USER MOD Single : A 619 THR OG1 : rot 48:sc= 1.34 USER MOD Single : A 620 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 621 LYS NZ :NH3+ -158:sc= 1.1 (180deg=-0.154) USER MOD Single : A 631 MET CE :methyl 143:sc= -0.072 (180deg=-1.06) USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 640 THR OG1 : rot -124:sc= -1.71! USER MOD Single : A 641 LYS NZ :NH3+ 159:sc= -0.0983 (180deg=-0.471) USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -167:sc= -0.0193 (180deg=-0.227) USER MOD Single : A 654 SER OG : rot 180:sc= 0 USER MOD Single : A 655 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 501 -8.566 -13.019 -8.472 1.00 22.20 N ATOM 2 CA HIS A 501 -8.642 -13.198 -7.038 1.00 30.01 C ATOM 3 C HIS A 501 -7.528 -14.130 -6.568 1.00 14.14 C ATOM 4 O HIS A 501 -7.425 -15.270 -7.014 1.00 23.02 O ATOM 5 CB HIS A 501 -10.040 -13.742 -6.623 1.00 72.24 C ATOM 6 CG HIS A 501 -10.254 -13.925 -5.128 1.00 10.34 C ATOM 7 ND1 HIS A 501 -11.295 -14.641 -4.582 1.00 53.20 N ATOM 8 CD2 HIS A 501 -9.543 -13.457 -4.070 1.00 2.10 C ATOM 9 CE1 HIS A 501 -11.185 -14.591 -3.251 1.00 10.24 C ATOM 10 NE2 HIS A 501 -10.132 -13.879 -2.890 1.00 32.23 N ATOM 0 HA HIS A 501 -8.508 -12.230 -6.556 1.00 30.01 H new ATOM 0 HB2 HIS A 501 -10.802 -13.061 -7.001 1.00 72.24 H new ATOM 0 HB3 HIS A 501 -10.198 -14.702 -7.115 1.00 72.24 H new ATOM 0 HD1 HIS A 501 -12.025 -15.126 -5.104 1.00 53.20 H new ATOM 0 HD2 HIS A 501 -8.654 -12.848 -4.138 1.00 2.10 H new ATOM 0 HE1 HIS A 501 -11.866 -15.069 -2.562 1.00 10.24 H new ATOM 18 N ALA A 502 -6.704 -13.619 -5.696 1.00 51.12 N ATOM 19 CA ALA A 502 -5.641 -14.374 -5.063 1.00 0.11 C ATOM 20 C ALA A 502 -5.393 -13.758 -3.732 1.00 41.11 C ATOM 21 O ALA A 502 -5.541 -14.389 -2.699 1.00 13.22 O ATOM 22 CB ALA A 502 -4.364 -14.333 -5.870 1.00 43.14 C ATOM 0 H ALA A 502 -6.748 -12.646 -5.394 1.00 51.12 H new ATOM 0 HA ALA A 502 -5.943 -15.418 -4.981 1.00 0.11 H new ATOM 0 HB1 ALA A 502 -3.593 -14.911 -5.361 1.00 43.14 H new ATOM 0 HB2 ALA A 502 -4.544 -14.759 -6.857 1.00 43.14 H new ATOM 0 HB3 ALA A 502 -4.033 -13.300 -5.975 1.00 43.14 H new ATOM 28 N GLY A 503 -5.038 -12.502 -3.771 1.00 72.45 N ATOM 29 CA GLY A 503 -4.815 -11.779 -2.589 1.00 74.34 C ATOM 30 C GLY A 503 -5.010 -10.333 -2.820 1.00 65.34 C ATOM 31 O GLY A 503 -4.289 -9.719 -3.583 1.00 11.53 O ATOM 0 H GLY A 503 -4.901 -11.969 -4.630 1.00 72.45 H new ATOM 0 HA2 GLY A 503 -5.496 -12.124 -1.811 1.00 74.34 H new ATOM 0 HA3 GLY A 503 -3.802 -11.962 -2.230 1.00 74.34 H new ATOM 35 N ILE A 504 -6.009 -9.808 -2.218 1.00 42.41 N ATOM 36 CA ILE A 504 -6.288 -8.419 -2.315 1.00 24.01 C ATOM 37 C ILE A 504 -5.569 -7.697 -1.192 1.00 44.35 C ATOM 38 O ILE A 504 -5.944 -7.802 -0.028 1.00 31.30 O ATOM 39 CB ILE A 504 -7.819 -8.087 -2.272 1.00 13.31 C ATOM 40 CG1 ILE A 504 -8.598 -8.659 -3.482 1.00 53.11 C ATOM 41 CG2 ILE A 504 -8.057 -6.580 -2.180 1.00 61.54 C ATOM 42 CD1 ILE A 504 -8.791 -10.159 -3.482 1.00 12.31 C ATOM 0 H ILE A 504 -6.665 -10.331 -1.638 1.00 42.41 H new ATOM 0 HA ILE A 504 -5.932 -8.081 -3.288 1.00 24.01 H new ATOM 0 HB ILE A 504 -8.201 -8.573 -1.374 1.00 13.31 H new ATOM 0 HG12 ILE A 504 -9.578 -8.184 -3.518 1.00 53.11 H new ATOM 0 HG13 ILE A 504 -8.074 -8.378 -4.395 1.00 53.11 H new ATOM 0 HG21 ILE A 504 -9.128 -6.382 -2.152 1.00 61.54 H new ATOM 0 HG22 ILE A 504 -7.593 -6.193 -1.273 1.00 61.54 H new ATOM 0 HG23 ILE A 504 -7.620 -6.089 -3.049 1.00 61.54 H new ATOM 0 HD11 ILE A 504 -9.348 -10.454 -4.371 1.00 12.31 H new ATOM 0 HD12 ILE A 504 -7.818 -10.651 -3.483 1.00 12.31 H new ATOM 0 HD13 ILE A 504 -9.346 -10.454 -2.592 1.00 12.31 H new ATOM 54 N PHE A 505 -4.496 -7.055 -1.537 1.00 4.32 N ATOM 55 CA PHE A 505 -3.751 -6.248 -0.612 1.00 75.34 C ATOM 56 C PHE A 505 -3.810 -4.830 -1.127 1.00 75.02 C ATOM 57 O PHE A 505 -3.243 -4.522 -2.182 1.00 10.43 O ATOM 58 CB PHE A 505 -2.296 -6.728 -0.524 1.00 51.00 C ATOM 59 CG PHE A 505 -2.157 -8.191 -0.184 1.00 12.32 C ATOM 60 CD1 PHE A 505 -2.464 -8.657 1.081 1.00 30.33 C ATOM 61 CD2 PHE A 505 -1.729 -9.099 -1.142 1.00 31.34 C ATOM 62 CE1 PHE A 505 -2.344 -10.000 1.388 1.00 23.41 C ATOM 63 CE2 PHE A 505 -1.609 -10.440 -0.842 1.00 32.11 C ATOM 64 CZ PHE A 505 -1.916 -10.892 0.424 1.00 11.02 C ATOM 0 H PHE A 505 -4.106 -7.075 -2.479 1.00 4.32 H new ATOM 0 HA PHE A 505 -4.173 -6.318 0.391 1.00 75.34 H new ATOM 0 HB2 PHE A 505 -1.802 -6.538 -1.477 1.00 51.00 H new ATOM 0 HB3 PHE A 505 -1.774 -6.138 0.229 1.00 51.00 H new ATOM 0 HD1 PHE A 505 -2.801 -7.964 1.838 1.00 30.33 H new ATOM 0 HD2 PHE A 505 -1.487 -8.751 -2.135 1.00 31.34 H new ATOM 0 HE1 PHE A 505 -2.585 -10.351 2.381 1.00 23.41 H new ATOM 0 HE2 PHE A 505 -1.275 -11.135 -1.598 1.00 32.11 H new ATOM 0 HZ PHE A 505 -1.822 -11.941 0.661 1.00 11.02 H new ATOM 74 N THR A 506 -4.527 -3.988 -0.452 1.00 45.03 N ATOM 75 CA THR A 506 -4.723 -2.653 -0.924 1.00 41.43 C ATOM 76 C THR A 506 -4.921 -1.724 0.268 1.00 43.43 C ATOM 77 O THR A 506 -5.151 -2.195 1.392 1.00 10.34 O ATOM 78 CB THR A 506 -5.978 -2.605 -1.878 1.00 22.02 C ATOM 79 OG1 THR A 506 -6.061 -1.349 -2.576 1.00 44.53 O ATOM 80 CG2 THR A 506 -7.278 -2.834 -1.108 1.00 51.31 C ATOM 0 H THR A 506 -4.989 -4.202 0.432 1.00 45.03 H new ATOM 0 HA THR A 506 -3.848 -2.327 -1.487 1.00 41.43 H new ATOM 0 HB THR A 506 -5.847 -3.409 -2.602 1.00 22.02 H new ATOM 0 HG1 THR A 506 -5.179 -0.921 -2.586 1.00 44.53 H new ATOM 0 HG21 THR A 506 -8.121 -2.794 -1.798 1.00 51.31 H new ATOM 0 HG22 THR A 506 -7.249 -3.812 -0.627 1.00 51.31 H new ATOM 0 HG23 THR A 506 -7.393 -2.060 -0.349 1.00 51.31 H new ATOM 88 N PHE A 507 -4.798 -0.438 0.033 1.00 1.13 N ATOM 89 CA PHE A 507 -5.062 0.567 1.052 1.00 3.14 C ATOM 90 C PHE A 507 -6.472 1.063 0.865 1.00 32.24 C ATOM 91 O PHE A 507 -7.095 0.788 -0.176 1.00 53.53 O ATOM 92 CB PHE A 507 -4.095 1.756 0.916 1.00 3.34 C ATOM 93 CG PHE A 507 -2.644 1.406 1.051 1.00 42.53 C ATOM 94 CD1 PHE A 507 -2.056 1.334 2.295 1.00 62.12 C ATOM 95 CD2 PHE A 507 -1.866 1.167 -0.069 1.00 32.20 C ATOM 96 CE1 PHE A 507 -0.725 1.026 2.427 1.00 51.22 C ATOM 97 CE2 PHE A 507 -0.529 0.853 0.051 1.00 73.12 C ATOM 98 CZ PHE A 507 0.043 0.781 1.302 1.00 44.11 C ATOM 0 H PHE A 507 -4.513 -0.053 -0.868 1.00 1.13 H new ATOM 0 HA PHE A 507 -4.926 0.123 2.038 1.00 3.14 H new ATOM 0 HB2 PHE A 507 -4.252 2.224 -0.056 1.00 3.34 H new ATOM 0 HB3 PHE A 507 -4.347 2.499 1.673 1.00 3.34 H new ATOM 0 HD1 PHE A 507 -2.650 1.522 3.177 1.00 62.12 H new ATOM 0 HD2 PHE A 507 -2.313 1.227 -1.050 1.00 32.20 H new ATOM 0 HE1 PHE A 507 -0.277 0.975 3.408 1.00 51.22 H new ATOM 0 HE2 PHE A 507 0.066 0.665 -0.830 1.00 73.12 H new ATOM 0 HZ PHE A 507 1.089 0.534 1.405 1.00 44.11 H new ATOM 108 N GLU A 508 -6.998 1.743 1.849 1.00 63.21 N ATOM 109 CA GLU A 508 -8.303 2.330 1.722 1.00 35.13 C ATOM 110 C GLU A 508 -8.230 3.841 1.499 1.00 72.50 C ATOM 111 O GLU A 508 -9.086 4.423 0.823 1.00 52.22 O ATOM 112 CB GLU A 508 -9.271 1.883 2.844 1.00 4.22 C ATOM 113 CG GLU A 508 -8.665 1.714 4.240 1.00 13.30 C ATOM 114 CD GLU A 508 -8.081 2.968 4.828 1.00 53.42 C ATOM 115 OE1 GLU A 508 -6.912 3.256 4.548 1.00 74.42 O ATOM 116 OE2 GLU A 508 -8.784 3.672 5.625 1.00 65.45 O ATOM 0 H GLU A 508 -6.542 1.903 2.747 1.00 63.21 H new ATOM 0 HA GLU A 508 -8.754 1.934 0.812 1.00 35.13 H new ATOM 0 HB2 GLU A 508 -10.079 2.612 2.908 1.00 4.22 H new ATOM 0 HB3 GLU A 508 -9.720 0.934 2.550 1.00 4.22 H new ATOM 0 HG2 GLU A 508 -9.436 1.339 4.913 1.00 13.30 H new ATOM 0 HG3 GLU A 508 -7.885 0.954 4.193 1.00 13.30 H new ATOM 123 N GLU A 509 -7.217 4.468 2.046 1.00 42.04 N ATOM 124 CA GLU A 509 -6.968 5.860 1.785 1.00 75.22 C ATOM 125 C GLU A 509 -5.726 5.979 0.881 1.00 72.42 C ATOM 126 O GLU A 509 -4.681 5.413 1.180 1.00 62.25 O ATOM 127 CB GLU A 509 -6.810 6.666 3.109 1.00 72.45 C ATOM 128 CG GLU A 509 -5.550 6.367 3.924 1.00 51.31 C ATOM 129 CD GLU A 509 -5.590 6.965 5.313 1.00 61.45 C ATOM 130 OE1 GLU A 509 -5.634 8.205 5.463 1.00 3.14 O ATOM 131 OE2 GLU A 509 -5.590 6.206 6.296 1.00 53.33 O ATOM 0 H GLU A 509 -6.548 4.030 2.679 1.00 42.04 H new ATOM 0 HA GLU A 509 -7.823 6.295 1.267 1.00 75.22 H new ATOM 0 HB2 GLU A 509 -6.821 7.729 2.869 1.00 72.45 H new ATOM 0 HB3 GLU A 509 -7.680 6.472 3.736 1.00 72.45 H new ATOM 0 HG2 GLU A 509 -5.422 5.287 4.003 1.00 51.31 H new ATOM 0 HG3 GLU A 509 -4.680 6.753 3.393 1.00 51.31 H new ATOM 138 N PRO A 510 -5.850 6.635 -0.283 1.00 12.05 N ATOM 139 CA PRO A 510 -4.711 6.843 -1.180 1.00 70.44 C ATOM 140 C PRO A 510 -3.869 8.048 -0.750 1.00 24.00 C ATOM 141 O PRO A 510 -2.750 8.245 -1.216 1.00 2.23 O ATOM 142 CB PRO A 510 -5.378 7.104 -2.531 1.00 53.13 C ATOM 143 CG PRO A 510 -6.701 7.717 -2.196 1.00 23.34 C ATOM 144 CD PRO A 510 -7.111 7.166 -0.850 1.00 62.24 C ATOM 0 HA PRO A 510 -4.023 5.998 -1.190 1.00 70.44 H new ATOM 0 HB2 PRO A 510 -4.777 7.774 -3.145 1.00 53.13 H new ATOM 0 HB3 PRO A 510 -5.502 6.180 -3.095 1.00 53.13 H new ATOM 0 HG2 PRO A 510 -6.626 8.804 -2.162 1.00 23.34 H new ATOM 0 HG3 PRO A 510 -7.443 7.473 -2.956 1.00 23.34 H new ATOM 0 HD2 PRO A 510 -7.539 7.941 -0.215 1.00 62.24 H new ATOM 0 HD3 PRO A 510 -7.864 6.384 -0.951 1.00 62.24 H new ATOM 152 N VAL A 511 -4.421 8.841 0.145 1.00 61.43 N ATOM 153 CA VAL A 511 -3.783 10.035 0.661 1.00 71.33 C ATOM 154 C VAL A 511 -4.036 10.110 2.143 1.00 65.22 C ATOM 155 O VAL A 511 -5.168 9.909 2.595 1.00 5.23 O ATOM 156 CB VAL A 511 -4.340 11.342 -0.011 1.00 4.52 C ATOM 157 CG1 VAL A 511 -3.805 12.583 0.670 1.00 11.33 C ATOM 158 CG2 VAL A 511 -4.005 11.394 -1.484 1.00 0.00 C ATOM 0 H VAL A 511 -5.345 8.670 0.542 1.00 61.43 H new ATOM 0 HA VAL A 511 -2.718 9.972 0.439 1.00 71.33 H new ATOM 0 HB VAL A 511 -5.424 11.315 0.102 1.00 4.52 H new ATOM 0 HG11 VAL A 511 -4.209 13.469 0.181 1.00 11.33 H new ATOM 0 HG12 VAL A 511 -4.102 12.579 1.719 1.00 11.33 H new ATOM 0 HG13 VAL A 511 -2.717 12.595 0.601 1.00 11.33 H new ATOM 0 HG21 VAL A 511 -4.406 12.311 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 511 -2.923 11.375 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 511 -4.445 10.533 -1.988 1.00 0.00 H new ATOM 168 N THR A 512 -3.012 10.375 2.887 1.00 30.33 N ATOM 169 CA THR A 512 -3.144 10.532 4.282 1.00 15.21 C ATOM 170 C THR A 512 -2.312 11.756 4.721 1.00 32.34 C ATOM 171 O THR A 512 -1.283 12.081 4.104 1.00 52.55 O ATOM 172 CB THR A 512 -2.723 9.225 5.030 1.00 43.22 C ATOM 173 OG1 THR A 512 -3.214 9.234 6.368 1.00 5.04 O ATOM 174 CG2 THR A 512 -1.218 9.037 5.045 1.00 53.13 C ATOM 0 H THR A 512 -2.061 10.487 2.535 1.00 30.33 H new ATOM 0 HA THR A 512 -4.187 10.710 4.544 1.00 15.21 H new ATOM 0 HB THR A 512 -3.163 8.391 4.484 1.00 43.22 H new ATOM 0 HG1 THR A 512 -4.134 8.896 6.381 1.00 5.04 H new ATOM 0 HG21 THR A 512 -0.972 8.117 5.575 1.00 53.13 H new ATOM 0 HG22 THR A 512 -0.849 8.976 4.021 1.00 53.13 H new ATOM 0 HG23 THR A 512 -0.751 9.883 5.550 1.00 53.13 H new ATOM 182 N HIS A 513 -2.786 12.461 5.708 1.00 23.43 N ATOM 183 CA HIS A 513 -2.092 13.627 6.219 1.00 4.32 C ATOM 184 C HIS A 513 -1.566 13.319 7.583 1.00 52.25 C ATOM 185 O HIS A 513 -2.255 12.670 8.386 1.00 34.21 O ATOM 186 CB HIS A 513 -3.012 14.855 6.291 1.00 20.44 C ATOM 187 CG HIS A 513 -3.399 15.433 4.965 1.00 61.41 C ATOM 188 ND1 HIS A 513 -3.032 16.692 4.549 1.00 23.34 N ATOM 189 CD2 HIS A 513 -4.162 14.917 3.966 1.00 65.51 C ATOM 190 CE1 HIS A 513 -3.560 16.896 3.341 1.00 55.41 C ATOM 191 NE2 HIS A 513 -4.263 15.848 2.941 1.00 2.52 N ATOM 0 H HIS A 513 -3.662 12.251 6.186 1.00 23.43 H new ATOM 0 HA HIS A 513 -1.276 13.864 5.536 1.00 4.32 H new ATOM 0 HB2 HIS A 513 -3.919 14.580 6.829 1.00 20.44 H new ATOM 0 HB3 HIS A 513 -2.516 15.629 6.877 1.00 20.44 H new ATOM 0 HD1 HIS A 513 -2.457 17.353 5.072 1.00 23.34 H new ATOM 0 HD2 HIS A 513 -4.618 13.938 3.969 1.00 65.51 H new ATOM 0 HE1 HIS A 513 -3.431 17.800 2.764 1.00 55.41 H new ATOM 199 N VAL A 514 -0.368 13.732 7.851 1.00 11.42 N ATOM 200 CA VAL A 514 0.219 13.501 9.140 1.00 24.41 C ATOM 201 C VAL A 514 0.713 14.786 9.727 1.00 73.22 C ATOM 202 O VAL A 514 1.047 15.734 9.005 1.00 23.14 O ATOM 203 CB VAL A 514 1.374 12.455 9.117 1.00 14.31 C ATOM 204 CG1 VAL A 514 0.860 11.087 8.722 1.00 53.41 C ATOM 205 CG2 VAL A 514 2.505 12.889 8.192 1.00 22.21 C ATOM 0 H VAL A 514 0.229 14.234 7.193 1.00 11.42 H new ATOM 0 HA VAL A 514 -0.573 13.084 9.763 1.00 24.41 H new ATOM 0 HB VAL A 514 1.776 12.393 10.128 1.00 14.31 H new ATOM 0 HG11 VAL A 514 1.686 10.376 8.714 1.00 53.41 H new ATOM 0 HG12 VAL A 514 0.107 10.760 9.439 1.00 53.41 H new ATOM 0 HG13 VAL A 514 0.416 11.138 7.728 1.00 53.41 H new ATOM 0 HG21 VAL A 514 3.292 12.135 8.202 1.00 22.21 H new ATOM 0 HG22 VAL A 514 2.123 13.001 7.178 1.00 22.21 H new ATOM 0 HG23 VAL A 514 2.910 13.841 8.535 1.00 22.21 H new ATOM 215 N SER A 515 0.718 14.827 11.015 1.00 32.12 N ATOM 216 CA SER A 515 1.228 15.933 11.741 1.00 12.52 C ATOM 217 C SER A 515 2.737 15.858 11.700 1.00 53.31 C ATOM 218 O SER A 515 3.305 14.778 11.683 1.00 14.31 O ATOM 219 CB SER A 515 0.732 15.848 13.197 1.00 64.33 C ATOM 220 OG SER A 515 1.239 16.907 14.003 1.00 23.53 O ATOM 0 H SER A 515 0.359 14.075 11.603 1.00 32.12 H new ATOM 0 HA SER A 515 0.891 16.875 11.309 1.00 12.52 H new ATOM 0 HB2 SER A 515 -0.358 15.874 13.209 1.00 64.33 H new ATOM 0 HB3 SER A 515 1.033 14.892 13.626 1.00 64.33 H new ATOM 0 HG SER A 515 0.898 16.815 14.917 1.00 23.53 H new ATOM 226 N GLU A 516 3.385 16.980 11.686 1.00 21.01 N ATOM 227 CA GLU A 516 4.830 17.013 11.722 1.00 5.43 C ATOM 228 C GLU A 516 5.320 16.688 13.142 1.00 14.11 C ATOM 229 O GLU A 516 6.504 16.495 13.390 1.00 32.44 O ATOM 230 CB GLU A 516 5.308 18.380 11.311 1.00 15.11 C ATOM 231 CG GLU A 516 6.780 18.457 11.050 1.00 54.13 C ATOM 232 CD GLU A 516 7.173 19.804 10.608 1.00 71.31 C ATOM 233 OE1 GLU A 516 7.067 20.093 9.404 1.00 11.43 O ATOM 234 OE2 GLU A 516 7.600 20.620 11.436 1.00 43.00 O ATOM 0 H GLU A 516 2.940 17.897 11.650 1.00 21.01 H new ATOM 0 HA GLU A 516 5.230 16.270 11.032 1.00 5.43 H new ATOM 0 HB2 GLU A 516 4.773 18.685 10.412 1.00 15.11 H new ATOM 0 HB3 GLU A 516 5.050 19.094 12.093 1.00 15.11 H new ATOM 0 HG2 GLU A 516 7.327 18.195 11.956 1.00 54.13 H new ATOM 0 HG3 GLU A 516 7.056 17.727 10.289 1.00 54.13 H new ATOM 241 N SER A 517 4.388 16.600 14.052 1.00 0.42 N ATOM 242 CA SER A 517 4.702 16.357 15.410 1.00 21.13 C ATOM 243 C SER A 517 4.229 14.938 15.771 1.00 35.54 C ATOM 244 O SER A 517 4.009 14.605 16.943 1.00 53.13 O ATOM 245 CB SER A 517 4.021 17.439 16.272 1.00 33.23 C ATOM 246 OG SER A 517 4.495 17.439 17.619 1.00 43.44 O ATOM 0 H SER A 517 3.391 16.697 13.859 1.00 0.42 H new ATOM 0 HA SER A 517 5.775 16.411 15.594 1.00 21.13 H new ATOM 0 HB2 SER A 517 4.198 18.418 15.827 1.00 33.23 H new ATOM 0 HB3 SER A 517 2.943 17.277 16.269 1.00 33.23 H new ATOM 0 HG SER A 517 4.515 16.520 17.959 1.00 43.44 H new ATOM 252 N ILE A 518 4.091 14.098 14.761 1.00 4.13 N ATOM 253 CA ILE A 518 3.678 12.734 14.979 1.00 31.23 C ATOM 254 C ILE A 518 4.918 11.849 15.095 1.00 74.34 C ATOM 255 O ILE A 518 6.002 12.215 14.599 1.00 71.25 O ATOM 256 CB ILE A 518 2.758 12.220 13.830 1.00 41.31 C ATOM 257 CG1 ILE A 518 2.013 10.969 14.271 1.00 24.52 C ATOM 258 CG2 ILE A 518 3.563 11.915 12.560 1.00 43.33 C ATOM 259 CD1 ILE A 518 0.995 10.528 13.282 1.00 10.41 C ATOM 0 H ILE A 518 4.260 14.341 13.785 1.00 4.13 H new ATOM 0 HA ILE A 518 3.100 12.692 15.902 1.00 31.23 H new ATOM 0 HB ILE A 518 2.043 13.011 13.602 1.00 41.31 H new ATOM 0 HG12 ILE A 518 2.729 10.163 14.433 1.00 24.52 H new ATOM 0 HG13 ILE A 518 1.526 11.160 15.227 1.00 24.52 H new ATOM 0 HG21 ILE A 518 2.890 11.559 11.780 1.00 43.33 H new ATOM 0 HG22 ILE A 518 4.065 12.821 12.221 1.00 43.33 H new ATOM 0 HG23 ILE A 518 4.306 11.148 12.776 1.00 43.33 H new ATOM 0 HD11 ILE A 518 0.495 9.632 13.649 1.00 10.41 H new ATOM 0 HD12 ILE A 518 0.260 11.320 13.138 1.00 10.41 H new ATOM 0 HD13 ILE A 518 1.482 10.308 12.332 1.00 10.41 H new ATOM 271 N GLY A 519 4.775 10.735 15.758 1.00 55.32 N ATOM 272 CA GLY A 519 5.851 9.817 15.874 1.00 63.21 C ATOM 273 C GLY A 519 5.677 8.674 14.918 1.00 51.33 C ATOM 274 O GLY A 519 6.380 8.583 13.906 1.00 44.54 O ATOM 0 H GLY A 519 3.915 10.448 16.225 1.00 55.32 H new ATOM 0 HA2 GLY A 519 6.793 10.326 15.672 1.00 63.21 H new ATOM 0 HA3 GLY A 519 5.905 9.439 16.895 1.00 63.21 H new ATOM 278 N ILE A 520 4.713 7.838 15.199 1.00 41.21 N ATOM 279 CA ILE A 520 4.461 6.665 14.398 1.00 2.32 C ATOM 280 C ILE A 520 3.097 6.731 13.755 1.00 62.11 C ATOM 281 O ILE A 520 2.073 6.706 14.445 1.00 54.32 O ATOM 282 CB ILE A 520 4.575 5.349 15.237 1.00 13.35 C ATOM 283 CG1 ILE A 520 6.019 5.101 15.689 1.00 14.22 C ATOM 284 CG2 ILE A 520 4.040 4.139 14.462 1.00 42.31 C ATOM 285 CD1 ILE A 520 6.996 4.896 14.548 1.00 1.43 C ATOM 0 H ILE A 520 4.079 7.949 15.990 1.00 41.21 H new ATOM 0 HA ILE A 520 5.226 6.646 13.622 1.00 2.32 H new ATOM 0 HB ILE A 520 3.957 5.480 16.125 1.00 13.35 H new ATOM 0 HG12 ILE A 520 6.351 5.947 16.290 1.00 14.22 H new ATOM 0 HG13 ILE A 520 6.041 4.223 16.335 1.00 14.22 H new ATOM 0 HG21 ILE A 520 4.135 3.243 15.075 1.00 42.31 H new ATOM 0 HG22 ILE A 520 2.991 4.300 14.215 1.00 42.31 H new ATOM 0 HG23 ILE A 520 4.613 4.013 13.544 1.00 42.31 H new ATOM 0 HD11 ILE A 520 7.995 4.727 14.950 1.00 1.43 H new ATOM 0 HD12 ILE A 520 6.691 4.031 13.959 1.00 1.43 H new ATOM 0 HD13 ILE A 520 7.006 5.782 13.914 1.00 1.43 H new ATOM 297 N MET A 521 3.076 6.822 12.456 1.00 21.04 N ATOM 298 CA MET A 521 1.824 6.751 11.745 1.00 73.34 C ATOM 299 C MET A 521 1.600 5.315 11.352 1.00 45.24 C ATOM 300 O MET A 521 2.551 4.615 10.979 1.00 70.25 O ATOM 301 CB MET A 521 1.777 7.660 10.498 1.00 75.03 C ATOM 302 CG MET A 521 2.756 7.296 9.395 1.00 3.24 C ATOM 303 SD MET A 521 2.479 8.259 7.905 1.00 23.20 S ATOM 304 CE MET A 521 3.717 7.599 6.822 1.00 64.21 C ATOM 0 H MET A 521 3.901 6.944 11.869 1.00 21.04 H new ATOM 0 HA MET A 521 1.035 7.113 12.404 1.00 73.34 H new ATOM 0 HB2 MET A 521 0.767 7.636 10.088 1.00 75.03 H new ATOM 0 HB3 MET A 521 1.970 8.687 10.809 1.00 75.03 H new ATOM 0 HG2 MET A 521 3.775 7.457 9.747 1.00 3.24 H new ATOM 0 HG3 MET A 521 2.663 6.235 9.163 1.00 3.24 H new ATOM 0 HE1 MET A 521 3.675 8.116 5.863 1.00 64.21 H new ATOM 0 HE2 MET A 521 4.702 7.739 7.267 1.00 64.21 H new ATOM 0 HE3 MET A 521 3.536 6.535 6.669 1.00 64.21 H new ATOM 314 N GLU A 522 0.394 4.864 11.506 1.00 43.41 N ATOM 315 CA GLU A 522 0.012 3.522 11.151 1.00 13.35 C ATOM 316 C GLU A 522 -1.131 3.533 10.179 1.00 35.14 C ATOM 317 O GLU A 522 -2.250 3.969 10.500 1.00 63.50 O ATOM 318 CB GLU A 522 -0.359 2.720 12.368 1.00 12.53 C ATOM 319 CG GLU A 522 0.813 2.329 13.223 1.00 74.05 C ATOM 320 CD GLU A 522 0.391 1.672 14.489 1.00 2.44 C ATOM 321 OE1 GLU A 522 0.081 0.469 14.470 1.00 70.32 O ATOM 322 OE2 GLU A 522 0.332 2.355 15.534 1.00 74.24 O ATOM 0 H GLU A 522 -0.369 5.423 11.888 1.00 43.41 H new ATOM 0 HA GLU A 522 0.874 3.051 10.678 1.00 13.35 H new ATOM 0 HB2 GLU A 522 -1.059 3.298 12.971 1.00 12.53 H new ATOM 0 HB3 GLU A 522 -0.881 1.817 12.050 1.00 12.53 H new ATOM 0 HG2 GLU A 522 1.460 1.653 12.663 1.00 74.05 H new ATOM 0 HG3 GLU A 522 1.403 3.216 13.455 1.00 74.05 H new ATOM 329 N VAL A 523 -0.848 3.067 9.012 1.00 42.24 N ATOM 330 CA VAL A 523 -1.820 3.004 7.948 1.00 71.14 C ATOM 331 C VAL A 523 -2.287 1.570 7.811 1.00 71.20 C ATOM 332 O VAL A 523 -1.470 0.643 7.892 1.00 53.15 O ATOM 333 CB VAL A 523 -1.200 3.473 6.617 1.00 13.10 C ATOM 334 CG1 VAL A 523 -2.257 3.619 5.525 1.00 33.11 C ATOM 335 CG2 VAL A 523 -0.434 4.767 6.821 1.00 24.41 C ATOM 0 H VAL A 523 0.073 2.712 8.755 1.00 42.24 H new ATOM 0 HA VAL A 523 -2.659 3.659 8.184 1.00 71.14 H new ATOM 0 HB VAL A 523 -0.500 2.708 6.281 1.00 13.10 H new ATOM 0 HG11 VAL A 523 -1.783 3.951 4.602 1.00 33.11 H new ATOM 0 HG12 VAL A 523 -2.743 2.658 5.358 1.00 33.11 H new ATOM 0 HG13 VAL A 523 -3.001 4.353 5.835 1.00 33.11 H new ATOM 0 HG21 VAL A 523 -0.001 5.087 5.873 1.00 24.41 H new ATOM 0 HG22 VAL A 523 -1.112 5.537 7.189 1.00 24.41 H new ATOM 0 HG23 VAL A 523 0.362 4.608 7.548 1.00 24.41 H new ATOM 345 N LYS A 524 -3.570 1.396 7.622 1.00 23.20 N ATOM 346 CA LYS A 524 -4.170 0.090 7.528 1.00 25.11 C ATOM 347 C LYS A 524 -4.101 -0.471 6.136 1.00 1.15 C ATOM 348 O LYS A 524 -4.173 0.254 5.142 1.00 72.40 O ATOM 349 CB LYS A 524 -5.623 0.126 7.970 1.00 21.15 C ATOM 350 CG LYS A 524 -5.833 0.270 9.462 1.00 23.53 C ATOM 351 CD LYS A 524 -5.344 -0.960 10.193 1.00 53.24 C ATOM 352 CE LYS A 524 -5.835 -1.008 11.626 1.00 53.53 C ATOM 353 NZ LYS A 524 -7.311 -1.069 11.699 1.00 51.43 N ATOM 0 H LYS A 524 -4.234 2.165 7.528 1.00 23.20 H new ATOM 0 HA LYS A 524 -3.596 -0.557 8.191 1.00 25.11 H new ATOM 0 HB2 LYS A 524 -6.120 0.955 7.466 1.00 21.15 H new ATOM 0 HB3 LYS A 524 -6.112 -0.789 7.636 1.00 21.15 H new ATOM 0 HG2 LYS A 524 -5.302 1.150 9.825 1.00 23.53 H new ATOM 0 HG3 LYS A 524 -6.891 0.427 9.672 1.00 23.53 H new ATOM 0 HD2 LYS A 524 -5.681 -1.852 9.665 1.00 53.24 H new ATOM 0 HD3 LYS A 524 -4.254 -0.977 10.183 1.00 53.24 H new ATOM 0 HE2 LYS A 524 -5.410 -1.878 12.127 1.00 53.53 H new ATOM 0 HE3 LYS A 524 -5.481 -0.127 12.161 1.00 53.53 H new ATOM 0 HZ1 LYS A 524 -7.597 -1.482 12.610 1.00 51.43 H new ATOM 0 HZ2 LYS A 524 -7.703 -0.109 11.616 1.00 51.43 H new ATOM 0 HZ3 LYS A 524 -7.673 -1.659 10.923 1.00 51.43 H new ATOM 367 N VAL A 525 -3.951 -1.760 6.081 1.00 24.11 N ATOM 368 CA VAL A 525 -3.959 -2.481 4.840 1.00 52.01 C ATOM 369 C VAL A 525 -5.045 -3.512 4.953 1.00 72.01 C ATOM 370 O VAL A 525 -5.124 -4.218 5.970 1.00 2.12 O ATOM 371 CB VAL A 525 -2.624 -3.207 4.569 1.00 42.11 C ATOM 372 CG1 VAL A 525 -2.545 -3.683 3.126 1.00 44.22 C ATOM 373 CG2 VAL A 525 -1.450 -2.337 4.911 1.00 71.12 C ATOM 0 H VAL A 525 -3.818 -2.348 6.904 1.00 24.11 H new ATOM 0 HA VAL A 525 -4.117 -1.779 4.021 1.00 52.01 H new ATOM 0 HB VAL A 525 -2.588 -4.083 5.217 1.00 42.11 H new ATOM 0 HG11 VAL A 525 -1.595 -4.191 2.962 1.00 44.22 H new ATOM 0 HG12 VAL A 525 -3.365 -4.373 2.925 1.00 44.22 H new ATOM 0 HG13 VAL A 525 -2.619 -2.827 2.456 1.00 44.22 H new ATOM 0 HG21 VAL A 525 -0.525 -2.878 4.709 1.00 71.12 H new ATOM 0 HG22 VAL A 525 -1.480 -1.431 4.306 1.00 71.12 H new ATOM 0 HG23 VAL A 525 -1.491 -2.070 5.967 1.00 71.12 H new ATOM 383 N LEU A 526 -5.880 -3.592 3.960 1.00 63.35 N ATOM 384 CA LEU A 526 -6.982 -4.519 3.982 1.00 22.42 C ATOM 385 C LEU A 526 -6.464 -5.914 3.668 1.00 24.51 C ATOM 386 O LEU A 526 -5.575 -6.076 2.824 1.00 4.53 O ATOM 387 CB LEU A 526 -8.119 -4.099 3.007 1.00 12.33 C ATOM 388 CG LEU A 526 -8.801 -2.714 3.242 1.00 70.05 C ATOM 389 CD1 LEU A 526 -9.289 -2.544 4.668 1.00 72.40 C ATOM 390 CD2 LEU A 526 -7.902 -1.566 2.844 1.00 21.14 C ATOM 0 H LEU A 526 -5.821 -3.023 3.116 1.00 63.35 H new ATOM 0 HA LEU A 526 -7.422 -4.515 4.979 1.00 22.42 H new ATOM 0 HB2 LEU A 526 -7.713 -4.106 1.995 1.00 12.33 H new ATOM 0 HB3 LEU A 526 -8.893 -4.865 3.045 1.00 12.33 H new ATOM 0 HG LEU A 526 -9.676 -2.695 2.593 1.00 70.05 H new ATOM 0 HD11 LEU A 526 -9.755 -1.565 4.779 1.00 72.40 H new ATOM 0 HD12 LEU A 526 -10.018 -3.321 4.898 1.00 72.40 H new ATOM 0 HD13 LEU A 526 -8.445 -2.624 5.353 1.00 72.40 H new ATOM 0 HD21 LEU A 526 -8.416 -0.622 3.024 1.00 21.14 H new ATOM 0 HD22 LEU A 526 -6.987 -1.599 3.435 1.00 21.14 H new ATOM 0 HD23 LEU A 526 -7.654 -1.648 1.786 1.00 21.14 H new ATOM 402 N ARG A 527 -6.991 -6.904 4.354 1.00 11.42 N ATOM 403 CA ARG A 527 -6.521 -8.256 4.202 1.00 51.34 C ATOM 404 C ARG A 527 -7.408 -8.983 3.217 1.00 32.50 C ATOM 405 O ARG A 527 -8.631 -8.873 3.269 1.00 70.34 O ATOM 406 CB ARG A 527 -6.462 -8.959 5.585 1.00 21.43 C ATOM 407 CG ARG A 527 -5.633 -10.266 5.660 1.00 53.35 C ATOM 408 CD ARG A 527 -6.341 -11.512 5.159 1.00 22.30 C ATOM 409 NE ARG A 527 -7.574 -11.816 5.899 1.00 52.31 N ATOM 410 CZ ARG A 527 -7.795 -12.938 6.621 1.00 62.50 C ATOM 411 NH1 ARG A 527 -6.775 -13.713 7.011 1.00 31.52 N ATOM 412 NH2 ARG A 527 -9.027 -13.228 7.019 1.00 1.20 N ATOM 0 H ARG A 527 -7.750 -6.793 5.026 1.00 11.42 H new ATOM 0 HA ARG A 527 -5.507 -8.262 3.802 1.00 51.34 H new ATOM 0 HB2 ARG A 527 -6.054 -8.254 6.309 1.00 21.43 H new ATOM 0 HB3 ARG A 527 -7.482 -9.183 5.898 1.00 21.43 H new ATOM 0 HG2 ARG A 527 -4.719 -10.131 5.083 1.00 53.35 H new ATOM 0 HG3 ARG A 527 -5.335 -10.429 6.696 1.00 53.35 H new ATOM 0 HD2 ARG A 527 -6.581 -11.386 4.103 1.00 22.30 H new ATOM 0 HD3 ARG A 527 -5.662 -12.362 5.232 1.00 22.30 H new ATOM 0 HE ARG A 527 -8.323 -11.125 5.865 1.00 52.31 H new ATOM 0 HH11 ARG A 527 -5.818 -13.460 6.764 1.00 31.52 H new ATOM 0 HH12 ARG A 527 -6.955 -14.557 7.555 1.00 31.52 H new ATOM 0 HH21 ARG A 527 -9.800 -12.607 6.780 1.00 1.20 H new ATOM 0 HH22 ARG A 527 -9.201 -14.072 7.564 1.00 1.20 H new ATOM 426 N THR A 528 -6.770 -9.699 2.334 1.00 71.11 N ATOM 427 CA THR A 528 -7.392 -10.445 1.262 1.00 54.23 C ATOM 428 C THR A 528 -8.540 -11.370 1.708 1.00 44.20 C ATOM 429 O THR A 528 -8.559 -11.892 2.836 1.00 11.25 O ATOM 430 CB THR A 528 -6.315 -11.275 0.514 1.00 71.13 C ATOM 431 OG1 THR A 528 -6.910 -12.074 -0.520 1.00 63.52 O ATOM 432 CG2 THR A 528 -5.518 -12.160 1.465 1.00 23.32 C ATOM 0 H THR A 528 -5.754 -9.786 2.337 1.00 71.11 H new ATOM 0 HA THR A 528 -7.845 -9.703 0.605 1.00 54.23 H new ATOM 0 HB THR A 528 -5.625 -10.565 0.059 1.00 71.13 H new ATOM 0 HG1 THR A 528 -6.722 -13.021 -0.351 1.00 63.52 H new ATOM 0 HG21 THR A 528 -4.775 -12.724 0.901 1.00 23.32 H new ATOM 0 HG22 THR A 528 -5.016 -11.538 2.206 1.00 23.32 H new ATOM 0 HG23 THR A 528 -6.192 -12.852 1.969 1.00 23.32 H new ATOM 440 N SER A 529 -9.509 -11.508 0.822 1.00 31.14 N ATOM 441 CA SER A 529 -10.601 -12.419 0.982 1.00 25.13 C ATOM 442 C SER A 529 -10.028 -13.836 1.007 1.00 1.44 C ATOM 443 O SER A 529 -10.225 -14.582 1.966 1.00 33.11 O ATOM 444 CB SER A 529 -11.568 -12.244 -0.204 1.00 3.32 C ATOM 445 OG SER A 529 -12.721 -13.068 -0.096 1.00 45.31 O ATOM 0 H SER A 529 -9.549 -10.972 -0.045 1.00 31.14 H new ATOM 0 HA SER A 529 -11.146 -12.230 1.907 1.00 25.13 H new ATOM 0 HB2 SER A 529 -11.876 -11.200 -0.265 1.00 3.32 H new ATOM 0 HB3 SER A 529 -11.045 -12.477 -1.132 1.00 3.32 H new ATOM 0 HG SER A 529 -13.303 -12.919 -0.870 1.00 45.31 H new ATOM 451 N GLY A 530 -9.283 -14.169 -0.028 1.00 24.34 N ATOM 452 CA GLY A 530 -8.663 -15.448 -0.105 1.00 64.03 C ATOM 453 C GLY A 530 -7.355 -15.410 0.606 1.00 54.12 C ATOM 454 O GLY A 530 -6.360 -14.933 0.063 1.00 4.43 O ATOM 0 H GLY A 530 -9.100 -13.558 -0.824 1.00 24.34 H new ATOM 0 HA2 GLY A 530 -9.309 -16.204 0.340 1.00 64.03 H new ATOM 0 HA3 GLY A 530 -8.514 -15.730 -1.147 1.00 64.03 H new ATOM 458 N ALA A 531 -7.366 -15.817 1.835 1.00 63.31 N ATOM 459 CA ALA A 531 -6.179 -15.826 2.633 1.00 64.44 C ATOM 460 C ALA A 531 -5.757 -17.242 2.923 1.00 14.34 C ATOM 461 O ALA A 531 -6.327 -17.911 3.783 1.00 64.31 O ATOM 462 CB ALA A 531 -6.389 -15.043 3.919 1.00 1.24 C ATOM 0 H ALA A 531 -8.200 -16.154 2.316 1.00 63.31 H new ATOM 0 HA ALA A 531 -5.380 -15.339 2.074 1.00 64.44 H new ATOM 0 HB1 ALA A 531 -5.474 -15.063 4.511 1.00 1.24 H new ATOM 0 HB2 ALA A 531 -6.644 -14.011 3.679 1.00 1.24 H new ATOM 0 HB3 ALA A 531 -7.200 -15.493 4.491 1.00 1.24 H new ATOM 468 N ARG A 532 -4.811 -17.720 2.169 1.00 23.03 N ATOM 469 CA ARG A 532 -4.276 -19.036 2.354 1.00 54.53 C ATOM 470 C ARG A 532 -2.787 -18.947 2.523 1.00 51.02 C ATOM 471 O ARG A 532 -2.117 -18.241 1.771 1.00 70.44 O ATOM 472 CB ARG A 532 -4.602 -19.940 1.157 1.00 43.44 C ATOM 473 CG ARG A 532 -6.082 -20.182 0.931 1.00 60.24 C ATOM 474 CD ARG A 532 -6.722 -20.839 2.136 1.00 34.32 C ATOM 475 NE ARG A 532 -8.137 -21.141 1.908 1.00 72.40 N ATOM 476 CZ ARG A 532 -8.861 -22.034 2.596 1.00 73.42 C ATOM 477 NH1 ARG A 532 -8.319 -22.700 3.617 1.00 42.31 N ATOM 478 NH2 ARG A 532 -10.133 -22.235 2.277 1.00 72.21 N ATOM 0 H ARG A 532 -4.385 -17.202 1.401 1.00 23.03 H new ATOM 0 HA ARG A 532 -4.730 -19.471 3.244 1.00 54.53 H new ATOM 0 HB2 ARG A 532 -4.179 -19.495 0.257 1.00 43.44 H new ATOM 0 HB3 ARG A 532 -4.108 -20.901 1.300 1.00 43.44 H new ATOM 0 HG2 ARG A 532 -6.580 -19.235 0.723 1.00 60.24 H new ATOM 0 HG3 ARG A 532 -6.220 -20.814 0.054 1.00 60.24 H new ATOM 0 HD2 ARG A 532 -6.188 -21.759 2.374 1.00 34.32 H new ATOM 0 HD3 ARG A 532 -6.626 -20.183 3.001 1.00 34.32 H new ATOM 0 HE ARG A 532 -8.610 -20.629 1.164 1.00 72.40 H new ATOM 0 HH11 ARG A 532 -7.348 -22.531 3.878 1.00 42.31 H new ATOM 0 HH12 ARG A 532 -8.876 -23.378 4.136 1.00 42.31 H new ATOM 0 HH21 ARG A 532 -10.556 -21.711 1.511 1.00 72.21 H new ATOM 0 HH22 ARG A 532 -10.688 -22.914 2.798 1.00 72.21 H new ATOM 492 N GLY A 533 -2.284 -19.609 3.527 1.00 45.40 N ATOM 493 CA GLY A 533 -0.878 -19.669 3.729 1.00 30.24 C ATOM 494 C GLY A 533 -0.325 -18.452 4.410 1.00 31.33 C ATOM 495 O GLY A 533 -0.957 -17.873 5.300 1.00 42.21 O ATOM 0 H GLY A 533 -2.838 -20.115 4.218 1.00 45.40 H new ATOM 0 HA2 GLY A 533 -0.641 -20.550 4.325 1.00 30.24 H new ATOM 0 HA3 GLY A 533 -0.384 -19.794 2.765 1.00 30.24 H new ATOM 499 N ASN A 534 0.853 -18.088 4.017 1.00 11.32 N ATOM 500 CA ASN A 534 1.537 -16.941 4.540 1.00 35.21 C ATOM 501 C ASN A 534 2.228 -16.260 3.401 1.00 64.14 C ATOM 502 O ASN A 534 3.024 -16.883 2.687 1.00 11.30 O ATOM 503 CB ASN A 534 2.549 -17.366 5.610 1.00 64.14 C ATOM 504 CG ASN A 534 3.348 -16.206 6.236 1.00 21.32 C ATOM 505 OD1 ASN A 534 4.476 -16.389 6.658 1.00 24.31 O ATOM 506 ND2 ASN A 534 2.779 -15.027 6.314 1.00 72.02 N ATOM 0 H ASN A 534 1.383 -18.591 3.305 1.00 11.32 H new ATOM 0 HA ASN A 534 0.829 -16.258 5.010 1.00 35.21 H new ATOM 0 HB2 ASN A 534 2.019 -17.894 6.403 1.00 64.14 H new ATOM 0 HB3 ASN A 534 3.249 -18.075 5.168 1.00 64.14 H new ATOM 0 HD21 ASN A 534 3.282 -14.245 6.733 1.00 72.02 H new ATOM 0 HD22 ASN A 534 1.834 -14.892 5.955 1.00 72.02 H new ATOM 513 N VAL A 535 1.901 -15.022 3.193 1.00 24.34 N ATOM 514 CA VAL A 535 2.466 -14.262 2.124 1.00 10.55 C ATOM 515 C VAL A 535 3.042 -12.986 2.686 1.00 3.02 C ATOM 516 O VAL A 535 2.401 -12.301 3.496 1.00 41.14 O ATOM 517 CB VAL A 535 1.412 -13.929 1.025 1.00 51.51 C ATOM 518 CG1 VAL A 535 2.045 -13.165 -0.111 1.00 25.21 C ATOM 519 CG2 VAL A 535 0.801 -15.191 0.481 1.00 54.54 C ATOM 0 H VAL A 535 1.230 -14.508 3.764 1.00 24.34 H new ATOM 0 HA VAL A 535 3.247 -14.859 1.653 1.00 10.55 H new ATOM 0 HB VAL A 535 0.637 -13.316 1.485 1.00 51.51 H new ATOM 0 HG11 VAL A 535 1.290 -12.944 -0.866 1.00 25.21 H new ATOM 0 HG12 VAL A 535 2.465 -12.233 0.267 1.00 25.21 H new ATOM 0 HG13 VAL A 535 2.838 -13.766 -0.556 1.00 25.21 H new ATOM 0 HG21 VAL A 535 0.068 -14.939 -0.285 1.00 54.54 H new ATOM 0 HG22 VAL A 535 1.582 -15.815 0.045 1.00 54.54 H new ATOM 0 HG23 VAL A 535 0.310 -15.735 1.288 1.00 54.54 H new ATOM 529 N ILE A 536 4.242 -12.696 2.305 1.00 54.21 N ATOM 530 CA ILE A 536 4.891 -11.503 2.737 1.00 4.22 C ATOM 531 C ILE A 536 4.688 -10.433 1.696 1.00 53.43 C ATOM 532 O ILE A 536 4.899 -10.669 0.498 1.00 41.32 O ATOM 533 CB ILE A 536 6.404 -11.731 2.989 1.00 12.42 C ATOM 534 CG1 ILE A 536 6.625 -12.749 4.096 1.00 72.44 C ATOM 535 CG2 ILE A 536 7.114 -10.444 3.312 1.00 23.52 C ATOM 536 CD1 ILE A 536 5.956 -12.384 5.392 1.00 74.12 C ATOM 0 H ILE A 536 4.801 -13.281 1.684 1.00 54.21 H new ATOM 0 HA ILE A 536 4.452 -11.191 3.684 1.00 4.22 H new ATOM 0 HB ILE A 536 6.828 -12.125 2.065 1.00 12.42 H new ATOM 0 HG12 ILE A 536 6.253 -13.719 3.766 1.00 72.44 H new ATOM 0 HG13 ILE A 536 7.696 -12.860 4.268 1.00 72.44 H new ATOM 0 HG21 ILE A 536 8.172 -10.645 3.482 1.00 23.52 H new ATOM 0 HG22 ILE A 536 7.006 -9.750 2.479 1.00 23.52 H new ATOM 0 HG23 ILE A 536 6.679 -10.004 4.210 1.00 23.52 H new ATOM 0 HD11 ILE A 536 6.157 -13.156 6.135 1.00 74.12 H new ATOM 0 HD12 ILE A 536 6.345 -11.429 5.746 1.00 74.12 H new ATOM 0 HD13 ILE A 536 4.880 -12.302 5.236 1.00 74.12 H new ATOM 548 N VAL A 537 4.251 -9.295 2.133 1.00 20.41 N ATOM 549 CA VAL A 537 4.014 -8.189 1.251 1.00 63.24 C ATOM 550 C VAL A 537 5.029 -7.085 1.539 1.00 74.40 C ATOM 551 O VAL A 537 5.009 -6.488 2.614 1.00 41.20 O ATOM 552 CB VAL A 537 2.563 -7.639 1.383 1.00 55.43 C ATOM 553 CG1 VAL A 537 2.341 -6.456 0.443 1.00 55.30 C ATOM 554 CG2 VAL A 537 1.550 -8.738 1.084 1.00 73.54 C ATOM 0 H VAL A 537 4.047 -9.103 3.114 1.00 20.41 H new ATOM 0 HA VAL A 537 4.131 -8.541 0.226 1.00 63.24 H new ATOM 0 HB VAL A 537 2.424 -7.296 2.408 1.00 55.43 H new ATOM 0 HG11 VAL A 537 1.320 -6.090 0.554 1.00 55.30 H new ATOM 0 HG12 VAL A 537 3.042 -5.658 0.690 1.00 55.30 H new ATOM 0 HG13 VAL A 537 2.502 -6.774 -0.587 1.00 55.30 H new ATOM 0 HG21 VAL A 537 0.540 -8.338 1.180 1.00 73.54 H new ATOM 0 HG22 VAL A 537 1.700 -9.104 0.068 1.00 73.54 H new ATOM 0 HG23 VAL A 537 1.684 -9.558 1.789 1.00 73.54 H new ATOM 564 N PRO A 538 5.961 -6.842 0.618 1.00 31.31 N ATOM 565 CA PRO A 538 6.965 -5.797 0.776 1.00 22.52 C ATOM 566 C PRO A 538 6.369 -4.422 0.579 1.00 34.33 C ATOM 567 O PRO A 538 5.335 -4.281 -0.074 1.00 31.02 O ATOM 568 CB PRO A 538 7.984 -6.079 -0.337 1.00 22.14 C ATOM 569 CG PRO A 538 7.561 -7.361 -0.969 1.00 21.35 C ATOM 570 CD PRO A 538 6.114 -7.546 -0.653 1.00 43.34 C ATOM 0 HA PRO A 538 7.400 -5.806 1.775 1.00 22.52 H new ATOM 0 HB2 PRO A 538 7.997 -5.270 -1.067 1.00 22.14 H new ATOM 0 HB3 PRO A 538 8.992 -6.159 0.069 1.00 22.14 H new ATOM 0 HG2 PRO A 538 7.720 -7.330 -2.047 1.00 21.35 H new ATOM 0 HG3 PRO A 538 8.150 -8.194 -0.584 1.00 21.35 H new ATOM 0 HD2 PRO A 538 5.475 -7.123 -1.428 1.00 43.34 H new ATOM 0 HD3 PRO A 538 5.852 -8.600 -0.564 1.00 43.34 H new ATOM 578 N TYR A 539 6.996 -3.435 1.146 1.00 14.54 N ATOM 579 CA TYR A 539 6.582 -2.072 0.994 1.00 54.31 C ATOM 580 C TYR A 539 7.800 -1.193 1.103 1.00 22.10 C ATOM 581 O TYR A 539 8.815 -1.602 1.697 1.00 73.34 O ATOM 582 CB TYR A 539 5.532 -1.669 2.062 1.00 73.54 C ATOM 583 CG TYR A 539 6.044 -1.694 3.496 1.00 53.44 C ATOM 584 CD1 TYR A 539 6.696 -0.593 4.040 1.00 32.13 C ATOM 585 CD2 TYR A 539 5.889 -2.812 4.287 1.00 13.10 C ATOM 586 CE1 TYR A 539 7.175 -0.612 5.323 1.00 20.13 C ATOM 587 CE2 TYR A 539 6.372 -2.839 5.579 1.00 32.35 C ATOM 588 CZ TYR A 539 7.012 -1.735 6.092 1.00 33.34 C ATOM 589 OH TYR A 539 7.520 -1.768 7.375 1.00 33.23 O ATOM 0 H TYR A 539 7.820 -3.555 1.735 1.00 14.54 H new ATOM 0 HA TYR A 539 6.109 -1.951 0.019 1.00 54.31 H new ATOM 0 HB2 TYR A 539 5.171 -0.666 1.837 1.00 73.54 H new ATOM 0 HB3 TYR A 539 4.677 -2.341 1.984 1.00 73.54 H new ATOM 0 HD1 TYR A 539 6.827 0.295 3.439 1.00 32.13 H new ATOM 0 HD2 TYR A 539 5.382 -3.679 3.890 1.00 13.10 H new ATOM 0 HE1 TYR A 539 7.679 0.254 5.727 1.00 20.13 H new ATOM 0 HE2 TYR A 539 6.248 -3.724 6.185 1.00 32.35 H new ATOM 0 HH TYR A 539 8.151 -1.028 7.496 1.00 33.23 H new ATOM 599 N LYS A 540 7.728 -0.029 0.543 1.00 34.21 N ATOM 600 CA LYS A 540 8.805 0.910 0.649 1.00 60.01 C ATOM 601 C LYS A 540 8.328 2.338 0.548 1.00 3.31 C ATOM 602 O LYS A 540 7.307 2.623 -0.103 1.00 4.44 O ATOM 603 CB LYS A 540 9.996 0.571 -0.303 1.00 73.50 C ATOM 604 CG LYS A 540 9.723 0.467 -1.808 1.00 61.24 C ATOM 605 CD LYS A 540 9.414 1.811 -2.434 1.00 20.11 C ATOM 606 CE LYS A 540 9.504 1.763 -3.940 1.00 13.33 C ATOM 607 NZ LYS A 540 8.541 0.837 -4.570 1.00 51.03 N ATOM 0 H LYS A 540 6.928 0.299 0.002 1.00 34.21 H new ATOM 0 HA LYS A 540 9.214 0.811 1.654 1.00 60.01 H new ATOM 0 HB2 LYS A 540 10.764 1.331 -0.157 1.00 73.50 H new ATOM 0 HB3 LYS A 540 10.421 -0.378 0.023 1.00 73.50 H new ATOM 0 HG2 LYS A 540 10.591 0.030 -2.302 1.00 61.24 H new ATOM 0 HG3 LYS A 540 8.886 -0.210 -1.976 1.00 61.24 H new ATOM 0 HD2 LYS A 540 8.413 2.127 -2.140 1.00 20.11 H new ATOM 0 HD3 LYS A 540 10.110 2.558 -2.052 1.00 20.11 H new ATOM 0 HE2 LYS A 540 9.341 2.765 -4.336 1.00 13.33 H new ATOM 0 HE3 LYS A 540 10.514 1.469 -4.224 1.00 13.33 H new ATOM 0 HZ1 LYS A 540 9.036 0.241 -5.264 1.00 51.03 H new ATOM 0 HZ2 LYS A 540 8.110 0.234 -3.840 1.00 51.03 H new ATOM 0 HZ3 LYS A 540 7.798 1.383 -5.051 1.00 51.03 H new ATOM 621 N THR A 541 9.012 3.208 1.238 1.00 31.43 N ATOM 622 CA THR A 541 8.747 4.608 1.211 1.00 53.15 C ATOM 623 C THR A 541 9.446 5.275 0.021 1.00 70.21 C ATOM 624 O THR A 541 10.673 5.167 -0.137 1.00 62.23 O ATOM 625 CB THR A 541 9.241 5.242 2.527 1.00 31.53 C ATOM 626 OG1 THR A 541 10.507 4.651 2.890 1.00 34.41 O ATOM 627 CG2 THR A 541 8.253 5.017 3.659 1.00 5.00 C ATOM 0 H THR A 541 9.788 2.950 1.848 1.00 31.43 H new ATOM 0 HA THR A 541 7.673 4.760 1.104 1.00 53.15 H new ATOM 0 HB THR A 541 9.345 6.315 2.368 1.00 31.53 H new ATOM 0 HG1 THR A 541 11.228 5.094 2.396 1.00 34.41 H new ATOM 0 HG21 THR A 541 8.634 5.477 4.571 1.00 5.00 H new ATOM 0 HG22 THR A 541 7.294 5.465 3.399 1.00 5.00 H new ATOM 0 HG23 THR A 541 8.122 3.947 3.820 1.00 5.00 H new ATOM 635 N ILE A 542 8.674 5.897 -0.834 1.00 14.33 N ATOM 636 CA ILE A 542 9.215 6.677 -1.919 1.00 64.10 C ATOM 637 C ILE A 542 9.403 8.069 -1.368 1.00 22.01 C ATOM 638 O ILE A 542 8.435 8.676 -0.928 1.00 61.51 O ATOM 639 CB ILE A 542 8.279 6.752 -3.189 1.00 2.33 C ATOM 640 CG1 ILE A 542 7.999 5.374 -3.820 1.00 50.22 C ATOM 641 CG2 ILE A 542 8.851 7.687 -4.247 1.00 32.33 C ATOM 642 CD1 ILE A 542 6.996 4.523 -3.079 1.00 62.51 C ATOM 0 H ILE A 542 7.655 5.877 -0.798 1.00 14.33 H new ATOM 0 HA ILE A 542 10.137 6.208 -2.262 1.00 64.10 H new ATOM 0 HB ILE A 542 7.330 7.148 -2.827 1.00 2.33 H new ATOM 0 HG12 ILE A 542 7.643 5.524 -4.839 1.00 50.22 H new ATOM 0 HG13 ILE A 542 8.938 4.825 -3.888 1.00 50.22 H new ATOM 0 HG21 ILE A 542 8.182 7.715 -5.107 1.00 32.33 H new ATOM 0 HG22 ILE A 542 8.950 8.690 -3.831 1.00 32.33 H new ATOM 0 HG23 ILE A 542 9.830 7.326 -4.561 1.00 32.33 H new ATOM 0 HD11 ILE A 542 6.868 3.575 -3.601 1.00 62.51 H new ATOM 0 HD12 ILE A 542 7.355 4.335 -2.067 1.00 62.51 H new ATOM 0 HD13 ILE A 542 6.040 5.044 -3.033 1.00 62.51 H new ATOM 654 N GLU A 543 10.635 8.540 -1.380 1.00 23.32 N ATOM 655 CA GLU A 543 11.041 9.826 -0.791 1.00 73.42 C ATOM 656 C GLU A 543 10.190 10.994 -1.282 1.00 23.12 C ATOM 657 O GLU A 543 9.827 11.888 -0.506 1.00 2.35 O ATOM 658 CB GLU A 543 12.510 10.072 -1.111 1.00 24.33 C ATOM 659 CG GLU A 543 13.428 9.005 -0.543 1.00 33.31 C ATOM 660 CD GLU A 543 14.845 9.145 -1.002 1.00 35.40 C ATOM 661 OE1 GLU A 543 15.516 10.113 -0.615 1.00 34.33 O ATOM 662 OE2 GLU A 543 15.331 8.276 -1.766 1.00 13.44 O ATOM 0 H GLU A 543 11.410 8.034 -1.808 1.00 23.32 H new ATOM 0 HA GLU A 543 10.890 9.765 0.287 1.00 73.42 H new ATOM 0 HB2 GLU A 543 12.638 10.115 -2.193 1.00 24.33 H new ATOM 0 HB3 GLU A 543 12.804 11.044 -0.716 1.00 24.33 H new ATOM 0 HG2 GLU A 543 13.399 9.051 0.546 1.00 33.31 H new ATOM 0 HG3 GLU A 543 13.055 8.022 -0.831 1.00 33.31 H new ATOM 669 N GLY A 544 9.892 10.982 -2.561 1.00 12.55 N ATOM 670 CA GLY A 544 9.074 11.997 -3.162 1.00 71.51 C ATOM 671 C GLY A 544 9.822 13.289 -3.269 1.00 5.14 C ATOM 672 O GLY A 544 10.548 13.524 -4.242 1.00 14.50 O ATOM 0 H GLY A 544 10.213 10.264 -3.211 1.00 12.55 H new ATOM 0 HA2 GLY A 544 8.755 11.674 -4.153 1.00 71.51 H new ATOM 0 HA3 GLY A 544 8.172 12.142 -2.568 1.00 71.51 H new ATOM 676 N THR A 545 9.680 14.102 -2.271 1.00 63.31 N ATOM 677 CA THR A 545 10.366 15.354 -2.207 1.00 11.41 C ATOM 678 C THR A 545 10.715 15.684 -0.743 1.00 30.13 C ATOM 679 O THR A 545 11.020 16.818 -0.401 1.00 50.00 O ATOM 680 CB THR A 545 9.534 16.494 -2.895 1.00 32.54 C ATOM 681 OG1 THR A 545 10.238 17.749 -2.860 1.00 64.13 O ATOM 682 CG2 THR A 545 8.165 16.655 -2.255 1.00 63.33 C ATOM 0 H THR A 545 9.078 13.914 -1.469 1.00 63.31 H new ATOM 0 HA THR A 545 11.300 15.278 -2.764 1.00 11.41 H new ATOM 0 HB THR A 545 9.395 16.198 -3.935 1.00 32.54 H new ATOM 0 HG1 THR A 545 10.724 17.828 -2.013 1.00 64.13 H new ATOM 0 HG21 THR A 545 7.620 17.453 -2.759 1.00 63.33 H new ATOM 0 HG22 THR A 545 7.609 15.722 -2.346 1.00 63.33 H new ATOM 0 HG23 THR A 545 8.283 16.905 -1.201 1.00 63.33 H new ATOM 690 N ALA A 546 10.688 14.676 0.108 1.00 64.23 N ATOM 691 CA ALA A 546 11.081 14.853 1.491 1.00 61.20 C ATOM 692 C ALA A 546 12.491 14.319 1.639 1.00 54.23 C ATOM 693 O ALA A 546 12.949 13.567 0.771 1.00 12.10 O ATOM 694 CB ALA A 546 10.118 14.127 2.421 1.00 64.42 C ATOM 0 H ALA A 546 10.399 13.728 -0.134 1.00 64.23 H new ATOM 0 HA ALA A 546 11.051 15.908 1.764 1.00 61.20 H new ATOM 0 HB1 ALA A 546 10.431 14.273 3.455 1.00 64.42 H new ATOM 0 HB2 ALA A 546 9.112 14.526 2.287 1.00 64.42 H new ATOM 0 HB3 ALA A 546 10.120 13.062 2.188 1.00 64.42 H new ATOM 700 N ARG A 547 13.191 14.716 2.696 1.00 44.53 N ATOM 701 CA ARG A 547 14.560 14.264 2.910 1.00 62.12 C ATOM 702 C ARG A 547 14.681 12.779 3.131 1.00 70.22 C ATOM 703 O ARG A 547 13.700 12.079 3.308 1.00 72.24 O ATOM 704 CB ARG A 547 15.243 14.974 4.050 1.00 64.21 C ATOM 705 CG ARG A 547 15.634 16.400 3.786 1.00 70.12 C ATOM 706 CD ARG A 547 16.485 16.520 2.549 1.00 0.24 C ATOM 707 NE ARG A 547 17.608 15.564 2.533 1.00 41.20 N ATOM 708 CZ ARG A 547 18.073 14.933 1.436 1.00 72.01 C ATOM 709 NH1 ARG A 547 17.495 15.107 0.255 1.00 4.32 N ATOM 710 NH2 ARG A 547 19.100 14.113 1.539 1.00 22.42 N ATOM 0 H ARG A 547 12.835 15.347 3.414 1.00 44.53 H new ATOM 0 HA ARG A 547 15.061 14.517 1.976 1.00 62.12 H new ATOM 0 HB2 ARG A 547 14.582 14.952 4.916 1.00 64.21 H new ATOM 0 HB3 ARG A 547 16.139 14.414 4.318 1.00 64.21 H new ATOM 0 HG2 ARG A 547 14.737 17.009 3.672 1.00 70.12 H new ATOM 0 HG3 ARG A 547 16.180 16.793 4.644 1.00 70.12 H new ATOM 0 HD2 ARG A 547 15.863 16.358 1.669 1.00 0.24 H new ATOM 0 HD3 ARG A 547 16.877 17.535 2.480 1.00 0.24 H new ATOM 0 HE ARG A 547 18.069 15.365 3.421 1.00 41.20 H new ATOM 0 HH11 ARG A 547 16.688 15.725 0.168 1.00 4.32 H new ATOM 0 HH12 ARG A 547 17.858 14.623 -0.566 1.00 4.32 H new ATOM 0 HH21 ARG A 547 19.540 13.958 2.446 1.00 22.42 H new ATOM 0 HH22 ARG A 547 19.455 13.634 0.712 1.00 22.42 H new ATOM 724 N GLY A 548 15.914 12.342 3.185 1.00 22.34 N ATOM 725 CA GLY A 548 16.222 10.934 3.286 1.00 30.41 C ATOM 726 C GLY A 548 15.897 10.320 4.633 1.00 20.24 C ATOM 727 O GLY A 548 15.402 11.005 5.559 1.00 62.11 O ATOM 0 H GLY A 548 16.733 12.950 3.160 1.00 22.34 H new ATOM 0 HA2 GLY A 548 15.672 10.397 2.513 1.00 30.41 H new ATOM 0 HA3 GLY A 548 17.283 10.790 3.081 1.00 30.41 H new ATOM 731 N GLY A 549 16.205 9.038 4.746 1.00 74.51 N ATOM 732 CA GLY A 549 15.915 8.259 5.923 1.00 61.00 C ATOM 733 C GLY A 549 16.576 8.792 7.168 1.00 1.24 C ATOM 734 O GLY A 549 17.804 8.929 7.230 1.00 61.43 O ATOM 0 H GLY A 549 16.670 8.509 4.008 1.00 74.51 H new ATOM 0 HA2 GLY A 549 14.836 8.232 6.076 1.00 61.00 H new ATOM 0 HA3 GLY A 549 16.239 7.231 5.759 1.00 61.00 H new ATOM 738 N GLY A 550 15.763 9.149 8.127 1.00 44.44 N ATOM 739 CA GLY A 550 16.251 9.640 9.384 1.00 45.52 C ATOM 740 C GLY A 550 16.300 11.140 9.413 1.00 4.11 C ATOM 741 O GLY A 550 16.507 11.739 10.464 1.00 24.14 O ATOM 0 H GLY A 550 14.746 9.107 8.057 1.00 44.44 H new ATOM 0 HA2 GLY A 550 15.609 9.281 10.189 1.00 45.52 H new ATOM 0 HA3 GLY A 550 17.248 9.240 9.569 1.00 45.52 H new ATOM 745 N GLU A 551 16.109 11.756 8.265 1.00 61.40 N ATOM 746 CA GLU A 551 16.123 13.184 8.179 1.00 14.44 C ATOM 747 C GLU A 551 14.675 13.694 8.189 1.00 4.12 C ATOM 748 O GLU A 551 14.237 14.241 9.182 1.00 32.45 O ATOM 749 CB GLU A 551 16.988 13.642 6.973 1.00 42.33 C ATOM 750 CG GLU A 551 17.202 15.154 6.831 1.00 12.54 C ATOM 751 CD GLU A 551 18.372 15.498 5.940 1.00 22.12 C ATOM 752 OE1 GLU A 551 18.575 14.822 4.912 1.00 23.20 O ATOM 753 OE2 GLU A 551 19.141 16.426 6.263 1.00 3.41 O ATOM 0 H GLU A 551 15.942 11.278 7.379 1.00 61.40 H new ATOM 0 HA GLU A 551 16.606 13.637 9.045 1.00 14.44 H new ATOM 0 HB2 GLU A 551 17.964 13.163 7.050 1.00 42.33 H new ATOM 0 HB3 GLU A 551 16.523 13.274 6.058 1.00 42.33 H new ATOM 0 HG2 GLU A 551 16.297 15.608 6.427 1.00 12.54 H new ATOM 0 HG3 GLU A 551 17.363 15.588 7.818 1.00 12.54 H new ATOM 760 N ASP A 552 13.902 13.438 7.144 1.00 2.55 N ATOM 761 CA ASP A 552 12.472 13.832 7.197 1.00 74.22 C ATOM 762 C ASP A 552 11.613 12.704 7.662 1.00 15.11 C ATOM 763 O ASP A 552 10.657 12.889 8.418 1.00 31.33 O ATOM 764 CB ASP A 552 11.920 14.390 5.881 1.00 31.35 C ATOM 765 CG ASP A 552 11.968 15.891 5.828 1.00 23.41 C ATOM 766 OD1 ASP A 552 11.227 16.577 6.483 1.00 34.13 O ATOM 767 OD2 ASP A 552 12.769 16.479 5.165 1.00 2.01 O ATOM 0 H ASP A 552 14.205 12.983 6.283 1.00 2.55 H new ATOM 0 HA ASP A 552 12.438 14.647 7.920 1.00 74.22 H new ATOM 0 HB2 ASP A 552 12.493 13.982 5.048 1.00 31.35 H new ATOM 0 HB3 ASP A 552 10.890 14.058 5.753 1.00 31.35 H new ATOM 772 N PHE A 553 11.943 11.533 7.232 1.00 22.52 N ATOM 773 CA PHE A 553 11.194 10.383 7.599 1.00 63.24 C ATOM 774 C PHE A 553 12.135 9.236 7.738 1.00 1.10 C ATOM 775 O PHE A 553 13.228 9.266 7.181 1.00 61.43 O ATOM 776 CB PHE A 553 10.121 10.078 6.537 1.00 43.11 C ATOM 777 CG PHE A 553 10.633 9.624 5.190 1.00 23.22 C ATOM 778 CD1 PHE A 553 10.986 10.536 4.215 1.00 21.40 C ATOM 779 CD2 PHE A 553 10.731 8.279 4.901 1.00 12.22 C ATOM 780 CE1 PHE A 553 11.432 10.112 2.979 1.00 5.12 C ATOM 781 CE2 PHE A 553 11.174 7.852 3.670 1.00 61.34 C ATOM 782 CZ PHE A 553 11.524 8.766 2.709 1.00 71.52 C ATOM 0 H PHE A 553 12.737 11.348 6.619 1.00 22.52 H new ATOM 0 HA PHE A 553 10.682 10.558 8.545 1.00 63.24 H new ATOM 0 HB2 PHE A 553 9.458 9.307 6.930 1.00 43.11 H new ATOM 0 HB3 PHE A 553 9.518 10.974 6.391 1.00 43.11 H new ATOM 0 HD1 PHE A 553 10.912 11.593 4.422 1.00 21.40 H new ATOM 0 HD2 PHE A 553 10.457 7.551 5.650 1.00 12.22 H new ATOM 0 HE1 PHE A 553 11.708 10.835 2.226 1.00 5.12 H new ATOM 0 HE2 PHE A 553 11.246 6.795 3.460 1.00 61.34 H new ATOM 0 HZ PHE A 553 11.871 8.430 1.743 1.00 71.52 H new ATOM 792 N GLU A 554 11.763 8.269 8.503 1.00 31.23 N ATOM 793 CA GLU A 554 12.536 7.078 8.622 1.00 64.04 C ATOM 794 C GLU A 554 12.123 6.210 7.440 1.00 4.11 C ATOM 795 O GLU A 554 10.937 5.899 7.275 1.00 14.12 O ATOM 796 CB GLU A 554 12.221 6.425 9.974 1.00 3.34 C ATOM 797 CG GLU A 554 13.191 5.349 10.459 1.00 62.35 C ATOM 798 CD GLU A 554 13.244 4.106 9.602 1.00 35.21 C ATOM 799 OE1 GLU A 554 12.299 3.287 9.651 1.00 71.33 O ATOM 800 OE2 GLU A 554 14.243 3.910 8.904 1.00 75.02 O ATOM 0 H GLU A 554 10.912 8.280 9.066 1.00 31.23 H new ATOM 0 HA GLU A 554 13.613 7.247 8.599 1.00 64.04 H new ATOM 0 HB2 GLU A 554 12.178 7.210 10.729 1.00 3.34 H new ATOM 0 HB3 GLU A 554 11.226 5.984 9.915 1.00 3.34 H new ATOM 0 HG2 GLU A 554 14.191 5.779 10.511 1.00 62.35 H new ATOM 0 HG3 GLU A 554 12.914 5.062 11.473 1.00 62.35 H new ATOM 807 N ASP A 555 13.076 5.896 6.592 1.00 20.40 N ATOM 808 CA ASP A 555 12.809 5.162 5.369 1.00 54.12 C ATOM 809 C ASP A 555 12.526 3.725 5.684 1.00 12.11 C ATOM 810 O ASP A 555 13.433 2.947 6.002 1.00 61.33 O ATOM 811 CB ASP A 555 13.974 5.290 4.376 1.00 21.41 C ATOM 812 CG ASP A 555 13.721 4.583 3.052 1.00 24.13 C ATOM 813 OD1 ASP A 555 13.117 5.200 2.152 1.00 11.32 O ATOM 814 OD2 ASP A 555 14.167 3.416 2.863 1.00 43.43 O ATOM 0 H ASP A 555 14.057 6.140 6.727 1.00 20.40 H new ATOM 0 HA ASP A 555 11.928 5.594 4.894 1.00 54.12 H new ATOM 0 HB2 ASP A 555 14.164 6.346 4.185 1.00 21.41 H new ATOM 0 HB3 ASP A 555 14.876 4.881 4.831 1.00 21.41 H new ATOM 819 N THR A 556 11.292 3.372 5.621 1.00 24.41 N ATOM 820 CA THR A 556 10.912 2.073 5.961 1.00 42.43 C ATOM 821 C THR A 556 10.631 1.244 4.716 1.00 52.45 C ATOM 822 O THR A 556 9.616 1.399 4.021 1.00 4.25 O ATOM 823 CB THR A 556 9.758 2.034 7.020 1.00 40.41 C ATOM 824 OG1 THR A 556 9.466 0.689 7.433 1.00 33.12 O ATOM 825 CG2 THR A 556 8.495 2.707 6.527 1.00 5.22 C ATOM 0 H THR A 556 10.528 3.983 5.332 1.00 24.41 H new ATOM 0 HA THR A 556 11.757 1.602 6.463 1.00 42.43 H new ATOM 0 HB THR A 556 10.121 2.596 7.881 1.00 40.41 H new ATOM 0 HG1 THR A 556 8.824 0.706 8.173 1.00 33.12 H new ATOM 0 HG21 THR A 556 7.728 2.651 7.299 1.00 5.22 H new ATOM 0 HG22 THR A 556 8.705 3.752 6.299 1.00 5.22 H new ATOM 0 HG23 THR A 556 8.141 2.203 5.628 1.00 5.22 H new ATOM 833 N CYS A 557 11.590 0.454 4.384 1.00 71.41 N ATOM 834 CA CYS A 557 11.479 -0.471 3.327 1.00 13.04 C ATOM 835 C CYS A 557 11.598 -1.859 3.894 1.00 24.02 C ATOM 836 O CYS A 557 12.697 -2.376 4.126 1.00 14.15 O ATOM 837 CB CYS A 557 12.499 -0.171 2.239 1.00 33.32 C ATOM 838 SG CYS A 557 14.131 0.303 2.849 1.00 14.23 S ATOM 0 H CYS A 557 12.494 0.437 4.856 1.00 71.41 H new ATOM 0 HA CYS A 557 10.506 -0.390 2.843 1.00 13.04 H new ATOM 0 HB2 CYS A 557 12.604 -1.051 1.605 1.00 33.32 H new ATOM 0 HB3 CYS A 557 12.114 0.631 1.609 1.00 33.32 H new ATOM 0 HG CYS A 557 14.215 1.599 2.901 1.00 14.23 H new ATOM 844 N GLY A 558 10.470 -2.429 4.168 1.00 71.00 N ATOM 845 CA GLY A 558 10.410 -3.675 4.818 1.00 64.03 C ATOM 846 C GLY A 558 9.304 -4.486 4.259 1.00 1.33 C ATOM 847 O GLY A 558 8.832 -4.211 3.145 1.00 12.03 O ATOM 0 H GLY A 558 9.560 -2.029 3.940 1.00 71.00 H new ATOM 0 HA2 GLY A 558 11.356 -4.203 4.697 1.00 64.03 H new ATOM 0 HA3 GLY A 558 10.260 -3.529 5.888 1.00 64.03 H new ATOM 851 N GLU A 559 8.839 -5.429 5.018 1.00 3.21 N ATOM 852 CA GLU A 559 7.863 -6.365 4.544 1.00 60.44 C ATOM 853 C GLU A 559 6.841 -6.707 5.637 1.00 61.12 C ATOM 854 O GLU A 559 7.205 -6.893 6.805 1.00 12.53 O ATOM 855 CB GLU A 559 8.591 -7.616 4.053 1.00 22.22 C ATOM 856 CG GLU A 559 9.435 -7.408 2.789 1.00 15.44 C ATOM 857 CD GLU A 559 10.298 -8.580 2.427 1.00 52.43 C ATOM 858 OE1 GLU A 559 11.212 -8.922 3.206 1.00 2.34 O ATOM 859 OE2 GLU A 559 10.106 -9.179 1.346 1.00 40.22 O ATOM 0 H GLU A 559 9.125 -5.573 5.986 1.00 3.21 H new ATOM 0 HA GLU A 559 7.302 -5.922 3.721 1.00 60.44 H new ATOM 0 HB2 GLU A 559 9.238 -7.980 4.851 1.00 22.22 H new ATOM 0 HB3 GLU A 559 7.855 -8.396 3.858 1.00 22.22 H new ATOM 0 HG2 GLU A 559 8.770 -7.189 1.954 1.00 15.44 H new ATOM 0 HG3 GLU A 559 10.070 -6.533 2.929 1.00 15.44 H new ATOM 866 N LEU A 560 5.580 -6.757 5.249 1.00 42.31 N ATOM 867 CA LEU A 560 4.475 -7.076 6.147 1.00 10.23 C ATOM 868 C LEU A 560 4.128 -8.546 6.027 1.00 70.12 C ATOM 869 O LEU A 560 4.198 -9.119 4.929 1.00 20.01 O ATOM 870 CB LEU A 560 3.235 -6.251 5.783 1.00 54.02 C ATOM 871 CG LEU A 560 3.341 -4.735 5.929 1.00 52.00 C ATOM 872 CD1 LEU A 560 2.095 -4.075 5.382 1.00 52.13 C ATOM 873 CD2 LEU A 560 3.546 -4.339 7.385 1.00 25.50 C ATOM 0 H LEU A 560 5.286 -6.575 4.289 1.00 42.31 H new ATOM 0 HA LEU A 560 4.782 -6.842 7.167 1.00 10.23 H new ATOM 0 HB2 LEU A 560 2.972 -6.474 4.749 1.00 54.02 H new ATOM 0 HB3 LEU A 560 2.407 -6.594 6.403 1.00 54.02 H new ATOM 0 HG LEU A 560 4.207 -4.397 5.360 1.00 52.00 H new ATOM 0 HD11 LEU A 560 2.179 -2.994 5.490 1.00 52.13 H new ATOM 0 HD12 LEU A 560 1.983 -4.327 4.327 1.00 52.13 H new ATOM 0 HD13 LEU A 560 1.224 -4.428 5.934 1.00 52.13 H new ATOM 0 HD21 LEU A 560 3.618 -3.254 7.460 1.00 25.50 H new ATOM 0 HD22 LEU A 560 2.702 -4.689 7.979 1.00 25.50 H new ATOM 0 HD23 LEU A 560 4.465 -4.791 7.759 1.00 25.50 H new ATOM 885 N GLU A 561 3.741 -9.146 7.123 1.00 41.02 N ATOM 886 CA GLU A 561 3.410 -10.542 7.141 1.00 70.22 C ATOM 887 C GLU A 561 1.892 -10.737 7.161 1.00 42.33 C ATOM 888 O GLU A 561 1.222 -10.353 8.108 1.00 4.42 O ATOM 889 CB GLU A 561 4.065 -11.211 8.359 1.00 24.12 C ATOM 890 CG GLU A 561 3.935 -12.726 8.408 1.00 45.20 C ATOM 891 CD GLU A 561 4.641 -13.332 9.597 1.00 54.44 C ATOM 892 OE1 GLU A 561 5.842 -13.068 9.785 1.00 72.13 O ATOM 893 OE2 GLU A 561 4.025 -14.108 10.343 1.00 71.35 O ATOM 0 H GLU A 561 3.647 -8.679 8.025 1.00 41.02 H new ATOM 0 HA GLU A 561 3.793 -11.011 6.234 1.00 70.22 H new ATOM 0 HB2 GLU A 561 5.124 -10.952 8.371 1.00 24.12 H new ATOM 0 HB3 GLU A 561 3.624 -10.794 9.264 1.00 24.12 H new ATOM 0 HG2 GLU A 561 2.879 -12.995 8.441 1.00 45.20 H new ATOM 0 HG3 GLU A 561 4.344 -13.152 7.492 1.00 45.20 H new ATOM 900 N PHE A 562 1.359 -11.282 6.094 1.00 62.34 N ATOM 901 CA PHE A 562 -0.047 -11.608 6.033 1.00 0.12 C ATOM 902 C PHE A 562 -0.232 -13.090 6.072 1.00 30.13 C ATOM 903 O PHE A 562 0.455 -13.835 5.353 1.00 1.00 O ATOM 904 CB PHE A 562 -0.712 -11.063 4.787 1.00 2.24 C ATOM 905 CG PHE A 562 -1.156 -9.642 4.874 1.00 51.31 C ATOM 906 CD1 PHE A 562 -2.316 -9.329 5.555 1.00 20.43 C ATOM 907 CD2 PHE A 562 -0.458 -8.633 4.238 1.00 61.22 C ATOM 908 CE1 PHE A 562 -2.774 -8.032 5.604 1.00 25.23 C ATOM 909 CE2 PHE A 562 -0.916 -7.334 4.273 1.00 25.34 C ATOM 910 CZ PHE A 562 -2.079 -7.034 4.958 1.00 24.43 C ATOM 0 H PHE A 562 1.882 -11.511 5.249 1.00 62.34 H new ATOM 0 HA PHE A 562 -0.518 -11.142 6.899 1.00 0.12 H new ATOM 0 HB2 PHE A 562 -0.018 -11.160 3.952 1.00 2.24 H new ATOM 0 HB3 PHE A 562 -1.577 -11.684 4.555 1.00 2.24 H new ATOM 0 HD1 PHE A 562 -2.870 -10.110 6.054 1.00 20.43 H new ATOM 0 HD2 PHE A 562 0.455 -8.865 3.709 1.00 61.22 H new ATOM 0 HE1 PHE A 562 -3.677 -7.797 6.148 1.00 25.23 H new ATOM 0 HE2 PHE A 562 -0.368 -6.553 3.767 1.00 25.34 H new ATOM 0 HZ PHE A 562 -2.442 -6.017 4.986 1.00 24.43 H new ATOM 920 N GLN A 563 -1.126 -13.549 6.899 1.00 61.53 N ATOM 921 CA GLN A 563 -1.360 -14.959 6.971 1.00 2.41 C ATOM 922 C GLN A 563 -2.799 -15.292 6.673 1.00 0.34 C ATOM 923 O GLN A 563 -3.645 -14.405 6.492 1.00 32.11 O ATOM 924 CB GLN A 563 -0.960 -15.517 8.333 1.00 21.45 C ATOM 925 CG GLN A 563 0.475 -15.234 8.699 1.00 53.33 C ATOM 926 CD GLN A 563 0.866 -15.833 10.017 1.00 43.40 C ATOM 927 OE1 GLN A 563 0.705 -15.216 11.052 1.00 62.34 O ATOM 928 NE2 GLN A 563 1.380 -17.030 9.993 1.00 74.34 N ATOM 0 H GLN A 563 -1.696 -12.978 7.523 1.00 61.53 H new ATOM 0 HA GLN A 563 -0.736 -15.429 6.211 1.00 2.41 H new ATOM 0 HB2 GLN A 563 -1.612 -15.093 9.097 1.00 21.45 H new ATOM 0 HB3 GLN A 563 -1.122 -16.595 8.338 1.00 21.45 H new ATOM 0 HG2 GLN A 563 1.128 -15.625 7.919 1.00 53.33 H new ATOM 0 HG3 GLN A 563 0.631 -14.156 8.734 1.00 53.33 H new ATOM 0 HE21 GLN A 563 1.499 -17.516 9.104 1.00 74.34 H new ATOM 0 HE22 GLN A 563 1.663 -17.481 10.863 1.00 74.34 H new ATOM 937 N ASN A 564 -3.046 -16.563 6.607 1.00 0.21 N ATOM 938 CA ASN A 564 -4.356 -17.133 6.414 1.00 14.13 C ATOM 939 C ASN A 564 -5.249 -16.813 7.603 1.00 65.00 C ATOM 940 O ASN A 564 -6.434 -16.519 7.450 1.00 35.24 O ATOM 941 CB ASN A 564 -4.240 -18.668 6.215 1.00 15.12 C ATOM 942 CG ASN A 564 -3.586 -19.420 7.383 1.00 4.41 C ATOM 943 OD1 ASN A 564 -2.733 -18.882 8.098 1.00 1.02 O ATOM 944 ND2 ASN A 564 -3.959 -20.654 7.565 1.00 53.41 N ATOM 0 H ASN A 564 -2.313 -17.268 6.689 1.00 0.21 H new ATOM 0 HA ASN A 564 -4.805 -16.698 5.521 1.00 14.13 H new ATOM 0 HB2 ASN A 564 -5.238 -19.076 6.052 1.00 15.12 H new ATOM 0 HB3 ASN A 564 -3.665 -18.861 5.309 1.00 15.12 H new ATOM 0 HD21 ASN A 564 -3.545 -21.207 8.316 1.00 53.41 H new ATOM 0 HD22 ASN A 564 -4.666 -21.068 6.957 1.00 53.41 H new ATOM 951 N ASP A 565 -4.661 -16.842 8.776 1.00 41.44 N ATOM 952 CA ASP A 565 -5.387 -16.558 10.015 1.00 34.03 C ATOM 953 C ASP A 565 -5.265 -15.094 10.435 1.00 22.44 C ATOM 954 O ASP A 565 -6.205 -14.515 10.980 1.00 14.30 O ATOM 955 CB ASP A 565 -4.912 -17.476 11.150 1.00 31.40 C ATOM 956 CG ASP A 565 -5.587 -17.169 12.476 1.00 43.30 C ATOM 957 OD1 ASP A 565 -6.756 -17.561 12.670 1.00 54.54 O ATOM 958 OD2 ASP A 565 -4.965 -16.522 13.346 1.00 23.54 O ATOM 0 H ASP A 565 -3.674 -17.060 8.910 1.00 41.44 H new ATOM 0 HA ASP A 565 -6.440 -16.756 9.815 1.00 34.03 H new ATOM 0 HB2 ASP A 565 -5.109 -18.513 10.879 1.00 31.40 H new ATOM 0 HB3 ASP A 565 -3.833 -17.376 11.265 1.00 31.40 H new ATOM 963 N GLU A 566 -4.126 -14.498 10.161 1.00 42.21 N ATOM 964 CA GLU A 566 -3.882 -13.126 10.571 1.00 32.31 C ATOM 965 C GLU A 566 -4.575 -12.133 9.651 1.00 21.01 C ATOM 966 O GLU A 566 -4.481 -12.241 8.414 1.00 34.54 O ATOM 967 CB GLU A 566 -2.377 -12.827 10.672 1.00 64.00 C ATOM 968 CG GLU A 566 -2.090 -11.414 11.147 1.00 53.13 C ATOM 969 CD GLU A 566 -0.704 -11.211 11.682 1.00 40.44 C ATOM 970 OE1 GLU A 566 -0.426 -11.654 12.825 1.00 71.13 O ATOM 971 OE2 GLU A 566 0.114 -10.578 10.998 1.00 61.33 O ATOM 0 H GLU A 566 -3.354 -14.937 9.658 1.00 42.21 H new ATOM 0 HA GLU A 566 -4.312 -13.008 11.566 1.00 32.31 H new ATOM 0 HB2 GLU A 566 -1.915 -13.537 11.358 1.00 64.00 H new ATOM 0 HB3 GLU A 566 -1.915 -12.979 9.697 1.00 64.00 H new ATOM 0 HG2 GLU A 566 -2.251 -10.725 10.318 1.00 53.13 H new ATOM 0 HG3 GLU A 566 -2.808 -11.152 11.924 1.00 53.13 H new ATOM 978 N ILE A 567 -5.268 -11.175 10.238 1.00 12.03 N ATOM 979 CA ILE A 567 -5.932 -10.175 9.467 1.00 42.24 C ATOM 980 C ILE A 567 -5.239 -8.854 9.645 1.00 62.51 C ATOM 981 O ILE A 567 -4.501 -8.670 10.614 1.00 55.14 O ATOM 982 CB ILE A 567 -7.423 -9.977 9.815 1.00 72.21 C ATOM 983 CG1 ILE A 567 -7.592 -9.412 11.222 1.00 40.52 C ATOM 984 CG2 ILE A 567 -8.171 -11.286 9.673 1.00 62.04 C ATOM 985 CD1 ILE A 567 -8.858 -8.617 11.376 1.00 12.20 C ATOM 0 H ILE A 567 -5.378 -11.080 11.248 1.00 12.03 H new ATOM 0 HA ILE A 567 -5.887 -10.532 8.438 1.00 42.24 H new ATOM 0 HB ILE A 567 -7.842 -9.254 9.115 1.00 72.21 H new ATOM 0 HG12 ILE A 567 -7.592 -10.231 11.941 1.00 40.52 H new ATOM 0 HG13 ILE A 567 -6.738 -8.778 11.460 1.00 40.52 H new ATOM 0 HG21 ILE A 567 -9.221 -11.134 9.921 1.00 62.04 H new ATOM 0 HG22 ILE A 567 -8.089 -11.643 8.646 1.00 62.04 H new ATOM 0 HG23 ILE A 567 -7.742 -12.025 10.349 1.00 62.04 H new ATOM 0 HD11 ILE A 567 -8.928 -8.238 12.396 1.00 12.20 H new ATOM 0 HD12 ILE A 567 -8.849 -7.780 10.678 1.00 12.20 H new ATOM 0 HD13 ILE A 567 -9.716 -9.255 11.166 1.00 12.20 H new ATOM 997 N VAL A 568 -5.544 -7.942 8.723 1.00 43.52 N ATOM 998 CA VAL A 568 -5.036 -6.559 8.631 1.00 23.44 C ATOM 999 C VAL A 568 -3.482 -6.418 8.837 1.00 22.31 C ATOM 1000 O VAL A 568 -2.775 -7.380 9.121 1.00 4.22 O ATOM 1001 CB VAL A 568 -5.841 -5.605 9.586 1.00 64.53 C ATOM 1002 CG1 VAL A 568 -5.315 -5.599 11.018 1.00 12.51 C ATOM 1003 CG2 VAL A 568 -5.972 -4.201 9.019 1.00 50.11 C ATOM 0 H VAL A 568 -6.195 -8.156 7.967 1.00 43.52 H new ATOM 0 HA VAL A 568 -5.205 -6.250 7.600 1.00 23.44 H new ATOM 0 HB VAL A 568 -6.846 -6.023 9.641 1.00 64.53 H new ATOM 0 HG11 VAL A 568 -5.916 -4.920 11.623 1.00 12.51 H new ATOM 0 HG12 VAL A 568 -5.376 -6.605 11.432 1.00 12.51 H new ATOM 0 HG13 VAL A 568 -4.277 -5.267 11.023 1.00 12.51 H new ATOM 0 HG21 VAL A 568 -6.536 -3.579 9.714 1.00 50.11 H new ATOM 0 HG22 VAL A 568 -4.980 -3.774 8.872 1.00 50.11 H new ATOM 0 HG23 VAL A 568 -6.494 -4.242 8.063 1.00 50.11 H new ATOM 1013 N LYS A 569 -2.974 -5.231 8.600 1.00 53.31 N ATOM 1014 CA LYS A 569 -1.589 -4.863 8.857 1.00 31.21 C ATOM 1015 C LYS A 569 -1.512 -3.372 8.960 1.00 11.13 C ATOM 1016 O LYS A 569 -2.455 -2.672 8.556 1.00 73.31 O ATOM 1017 CB LYS A 569 -0.604 -5.343 7.761 1.00 63.13 C ATOM 1018 CG LYS A 569 -0.184 -6.829 7.775 1.00 72.24 C ATOM 1019 CD LYS A 569 0.916 -7.168 8.797 1.00 5.00 C ATOM 1020 CE LYS A 569 0.491 -7.099 10.266 1.00 31.24 C ATOM 1021 NZ LYS A 569 -0.592 -8.053 10.604 1.00 21.21 N ATOM 0 H LYS A 569 -3.525 -4.466 8.211 1.00 53.31 H new ATOM 0 HA LYS A 569 -1.289 -5.355 9.782 1.00 31.21 H new ATOM 0 HB2 LYS A 569 -1.052 -5.130 6.791 1.00 63.13 H new ATOM 0 HB3 LYS A 569 0.300 -4.738 7.834 1.00 63.13 H new ATOM 0 HG2 LYS A 569 -1.061 -7.440 7.987 1.00 72.24 H new ATOM 0 HG3 LYS A 569 0.164 -7.105 6.780 1.00 72.24 H new ATOM 0 HD2 LYS A 569 1.284 -8.173 8.590 1.00 5.00 H new ATOM 0 HD3 LYS A 569 1.752 -6.485 8.646 1.00 5.00 H new ATOM 0 HE2 LYS A 569 1.356 -7.302 10.898 1.00 31.24 H new ATOM 0 HE3 LYS A 569 0.159 -6.086 10.495 1.00 31.24 H new ATOM 0 HZ1 LYS A 569 -0.812 -7.983 11.618 1.00 21.21 H new ATOM 0 HZ2 LYS A 569 -1.441 -7.825 10.049 1.00 21.21 H new ATOM 0 HZ3 LYS A 569 -0.283 -9.021 10.383 1.00 21.21 H new ATOM 1035 N THR A 570 -0.428 -2.895 9.501 1.00 33.43 N ATOM 1036 CA THR A 570 -0.172 -1.478 9.623 1.00 61.04 C ATOM 1037 C THR A 570 1.253 -1.164 9.221 1.00 43.44 C ATOM 1038 O THR A 570 2.183 -1.889 9.600 1.00 63.20 O ATOM 1039 CB THR A 570 -0.411 -0.964 11.072 1.00 62.30 C ATOM 1040 OG1 THR A 570 0.108 -1.905 12.037 1.00 20.33 O ATOM 1041 CG2 THR A 570 -1.878 -0.686 11.342 1.00 73.13 C ATOM 0 H THR A 570 0.316 -3.482 9.877 1.00 33.43 H new ATOM 0 HA THR A 570 -0.871 -0.971 8.958 1.00 61.04 H new ATOM 0 HB THR A 570 0.125 -0.020 11.173 1.00 62.30 H new ATOM 0 HG1 THR A 570 -0.049 -1.565 12.943 1.00 20.33 H new ATOM 0 HG21 THR A 570 -1.998 -0.329 12.365 1.00 73.13 H new ATOM 0 HG22 THR A 570 -2.238 0.074 10.648 1.00 73.13 H new ATOM 0 HG23 THR A 570 -2.453 -1.602 11.207 1.00 73.13 H new ATOM 1049 N ILE A 571 1.440 -0.145 8.423 1.00 41.24 N ATOM 1050 CA ILE A 571 2.777 0.302 8.136 1.00 63.21 C ATOM 1051 C ILE A 571 3.092 1.383 9.132 1.00 23.55 C ATOM 1052 O ILE A 571 2.513 2.466 9.070 1.00 32.32 O ATOM 1053 CB ILE A 571 3.011 0.868 6.684 1.00 44.34 C ATOM 1054 CG1 ILE A 571 2.760 -0.165 5.583 1.00 35.21 C ATOM 1055 CG2 ILE A 571 4.430 1.379 6.546 1.00 52.12 C ATOM 1056 CD1 ILE A 571 1.325 -0.492 5.348 1.00 23.21 C ATOM 0 H ILE A 571 0.696 0.383 7.967 1.00 41.24 H new ATOM 0 HA ILE A 571 3.427 -0.571 8.203 1.00 63.21 H new ATOM 0 HB ILE A 571 2.289 1.674 6.556 1.00 44.34 H new ATOM 0 HG12 ILE A 571 3.191 0.205 4.653 1.00 35.21 H new ATOM 0 HG13 ILE A 571 3.290 -1.083 5.838 1.00 35.21 H new ATOM 0 HG21 ILE A 571 4.580 1.768 5.539 1.00 52.12 H new ATOM 0 HG22 ILE A 571 4.603 2.174 7.271 1.00 52.12 H new ATOM 0 HG23 ILE A 571 5.130 0.563 6.728 1.00 52.12 H new ATOM 0 HD11 ILE A 571 1.246 -1.232 4.551 1.00 23.21 H new ATOM 0 HD12 ILE A 571 0.889 -0.895 6.262 1.00 23.21 H new ATOM 0 HD13 ILE A 571 0.789 0.412 5.059 1.00 23.21 H new ATOM 1068 N SER A 572 3.915 1.063 10.082 1.00 24.34 N ATOM 1069 CA SER A 572 4.326 2.002 11.071 1.00 74.44 C ATOM 1070 C SER A 572 5.550 2.760 10.584 1.00 13.42 C ATOM 1071 O SER A 572 6.622 2.178 10.410 1.00 1.34 O ATOM 1072 CB SER A 572 4.591 1.264 12.379 1.00 42.34 C ATOM 1073 OG SER A 572 5.405 0.114 12.154 1.00 41.45 O ATOM 0 H SER A 572 4.322 0.134 10.191 1.00 24.34 H new ATOM 0 HA SER A 572 3.540 2.736 11.250 1.00 74.44 H new ATOM 0 HB2 SER A 572 5.084 1.932 13.086 1.00 42.34 H new ATOM 0 HB3 SER A 572 3.646 0.964 12.831 1.00 42.34 H new ATOM 0 HG SER A 572 6.117 0.337 11.519 1.00 41.45 H new ATOM 1079 N VAL A 573 5.376 4.028 10.328 1.00 62.20 N ATOM 1080 CA VAL A 573 6.446 4.854 9.824 1.00 51.22 C ATOM 1081 C VAL A 573 6.777 5.908 10.843 1.00 41.32 C ATOM 1082 O VAL A 573 5.869 6.570 11.383 1.00 62.31 O ATOM 1083 CB VAL A 573 6.070 5.564 8.490 1.00 1.33 C ATOM 1084 CG1 VAL A 573 7.251 6.350 7.917 1.00 4.31 C ATOM 1085 CG2 VAL A 573 5.546 4.579 7.468 1.00 64.15 C ATOM 0 H VAL A 573 4.492 4.519 10.461 1.00 62.20 H new ATOM 0 HA VAL A 573 7.298 4.201 9.633 1.00 51.22 H new ATOM 0 HB VAL A 573 5.274 6.272 8.721 1.00 1.33 H new ATOM 0 HG11 VAL A 573 6.950 6.832 6.986 1.00 4.31 H new ATOM 0 HG12 VAL A 573 7.565 7.109 8.634 1.00 4.31 H new ATOM 0 HG13 VAL A 573 8.080 5.670 7.722 1.00 4.31 H new ATOM 0 HG21 VAL A 573 5.293 5.108 6.549 1.00 64.15 H new ATOM 0 HG22 VAL A 573 6.311 3.831 7.258 1.00 64.15 H new ATOM 0 HG23 VAL A 573 4.656 4.087 7.860 1.00 64.15 H new ATOM 1095 N LYS A 574 8.038 6.042 11.125 1.00 23.14 N ATOM 1096 CA LYS A 574 8.510 7.051 12.011 1.00 21.31 C ATOM 1097 C LYS A 574 8.782 8.320 11.233 1.00 63.52 C ATOM 1098 O LYS A 574 9.657 8.370 10.360 1.00 40.13 O ATOM 1099 CB LYS A 574 9.753 6.565 12.786 1.00 12.34 C ATOM 1100 CG LYS A 574 10.447 7.623 13.648 1.00 61.22 C ATOM 1101 CD LYS A 574 9.524 8.265 14.679 1.00 4.11 C ATOM 1102 CE LYS A 574 10.279 9.304 15.492 1.00 55.32 C ATOM 1103 NZ LYS A 574 9.422 10.035 16.453 1.00 42.42 N ATOM 0 H LYS A 574 8.771 5.446 10.741 1.00 23.14 H new ATOM 0 HA LYS A 574 7.744 7.268 12.755 1.00 21.31 H new ATOM 0 HB2 LYS A 574 9.458 5.735 13.428 1.00 12.34 H new ATOM 0 HB3 LYS A 574 10.476 6.173 12.070 1.00 12.34 H new ATOM 0 HG2 LYS A 574 11.292 7.165 14.163 1.00 61.22 H new ATOM 0 HG3 LYS A 574 10.852 8.400 13.000 1.00 61.22 H new ATOM 0 HD2 LYS A 574 8.677 8.732 14.177 1.00 4.11 H new ATOM 0 HD3 LYS A 574 9.120 7.499 15.341 1.00 4.11 H new ATOM 0 HE2 LYS A 574 11.085 8.813 16.036 1.00 55.32 H new ATOM 0 HE3 LYS A 574 10.743 10.019 14.813 1.00 55.32 H new ATOM 0 HZ1 LYS A 574 10.017 10.479 17.181 1.00 42.42 H new ATOM 0 HZ2 LYS A 574 8.885 10.770 15.950 1.00 42.42 H new ATOM 0 HZ3 LYS A 574 8.761 9.371 16.904 1.00 42.42 H new ATOM 1117 N VAL A 575 7.993 9.313 11.504 1.00 24.15 N ATOM 1118 CA VAL A 575 8.174 10.604 10.911 1.00 22.45 C ATOM 1119 C VAL A 575 9.169 11.336 11.778 1.00 23.22 C ATOM 1120 O VAL A 575 9.069 11.293 13.010 1.00 31.23 O ATOM 1121 CB VAL A 575 6.832 11.386 10.822 1.00 70.31 C ATOM 1122 CG1 VAL A 575 7.028 12.762 10.190 1.00 23.01 C ATOM 1123 CG2 VAL A 575 5.807 10.581 10.026 1.00 13.20 C ATOM 0 H VAL A 575 7.202 9.252 12.145 1.00 24.15 H new ATOM 0 HA VAL A 575 8.536 10.509 9.887 1.00 22.45 H new ATOM 0 HB VAL A 575 6.462 11.535 11.837 1.00 70.31 H new ATOM 0 HG11 VAL A 575 6.070 13.281 10.143 1.00 23.01 H new ATOM 0 HG12 VAL A 575 7.726 13.343 10.792 1.00 23.01 H new ATOM 0 HG13 VAL A 575 7.427 12.646 9.182 1.00 23.01 H new ATOM 0 HG21 VAL A 575 4.871 11.137 9.970 1.00 13.20 H new ATOM 0 HG22 VAL A 575 6.185 10.405 9.019 1.00 13.20 H new ATOM 0 HG23 VAL A 575 5.632 9.625 10.520 1.00 13.20 H new ATOM 1133 N ILE A 576 10.133 11.954 11.167 1.00 3.14 N ATOM 1134 CA ILE A 576 11.195 12.592 11.896 1.00 72.22 C ATOM 1135 C ILE A 576 10.865 14.077 12.002 1.00 55.03 C ATOM 1136 O ILE A 576 10.017 14.578 11.254 1.00 15.33 O ATOM 1137 CB ILE A 576 12.569 12.372 11.171 1.00 31.41 C ATOM 1138 CG1 ILE A 576 12.753 10.882 10.790 1.00 54.34 C ATOM 1139 CG2 ILE A 576 13.738 12.829 12.040 1.00 42.11 C ATOM 1140 CD1 ILE A 576 12.766 9.925 11.952 1.00 72.04 C ATOM 0 H ILE A 576 10.209 12.032 10.153 1.00 3.14 H new ATOM 0 HA ILE A 576 11.283 12.160 12.893 1.00 72.22 H new ATOM 0 HB ILE A 576 12.559 12.976 10.263 1.00 31.41 H new ATOM 0 HG12 ILE A 576 11.950 10.594 10.111 1.00 54.34 H new ATOM 0 HG13 ILE A 576 13.689 10.776 10.241 1.00 54.34 H new ATOM 0 HG21 ILE A 576 14.674 12.662 11.507 1.00 42.11 H new ATOM 0 HG22 ILE A 576 13.632 13.890 12.264 1.00 42.11 H new ATOM 0 HG23 ILE A 576 13.744 12.261 12.970 1.00 42.11 H new ATOM 0 HD11 ILE A 576 12.900 8.908 11.584 1.00 72.04 H new ATOM 0 HD12 ILE A 576 13.586 10.179 12.623 1.00 72.04 H new ATOM 0 HD13 ILE A 576 11.821 9.995 12.491 1.00 72.04 H new ATOM 1152 N ASP A 577 11.467 14.759 12.946 1.00 62.42 N ATOM 1153 CA ASP A 577 11.214 16.186 13.118 1.00 74.22 C ATOM 1154 C ASP A 577 11.844 16.965 11.981 1.00 2.53 C ATOM 1155 O ASP A 577 13.086 16.996 11.839 1.00 24.20 O ATOM 1156 CB ASP A 577 11.706 16.715 14.479 1.00 22.33 C ATOM 1157 CG ASP A 577 10.935 16.169 15.662 1.00 53.15 C ATOM 1158 OD1 ASP A 577 11.293 15.074 16.182 1.00 2.43 O ATOM 1159 OD2 ASP A 577 9.969 16.825 16.119 1.00 12.12 O ATOM 0 H ASP A 577 12.133 14.361 13.608 1.00 62.42 H new ATOM 0 HA ASP A 577 10.134 16.329 13.100 1.00 74.22 H new ATOM 0 HB2 ASP A 577 12.760 16.463 14.597 1.00 22.33 H new ATOM 0 HB3 ASP A 577 11.636 17.803 14.482 1.00 22.33 H new ATOM 1164 N ASP A 578 10.982 17.580 11.178 1.00 10.31 N ATOM 1165 CA ASP A 578 11.356 18.332 9.967 1.00 4.43 C ATOM 1166 C ASP A 578 12.346 19.437 10.297 1.00 34.53 C ATOM 1167 O ASP A 578 12.247 20.103 11.346 1.00 72.42 O ATOM 1168 CB ASP A 578 10.110 18.916 9.314 1.00 71.05 C ATOM 1169 CG ASP A 578 10.290 19.413 7.897 1.00 24.22 C ATOM 1170 OD1 ASP A 578 11.318 19.048 7.231 1.00 31.34 O ATOM 1171 OD2 ASP A 578 9.361 20.136 7.392 1.00 3.25 O ATOM 0 H ASP A 578 9.976 17.574 11.348 1.00 10.31 H new ATOM 0 HA ASP A 578 11.837 17.646 9.270 1.00 4.43 H new ATOM 0 HB2 ASP A 578 9.329 18.156 9.317 1.00 71.05 H new ATOM 0 HB3 ASP A 578 9.753 19.743 9.928 1.00 71.05 H new ATOM 1176 N GLU A 579 13.253 19.625 9.401 1.00 15.14 N ATOM 1177 CA GLU A 579 14.408 20.464 9.558 1.00 54.41 C ATOM 1178 C GLU A 579 14.515 21.522 8.450 1.00 30.22 C ATOM 1179 O GLU A 579 15.068 22.607 8.669 1.00 3.03 O ATOM 1180 CB GLU A 579 15.669 19.557 9.512 1.00 12.24 C ATOM 1181 CG GLU A 579 15.921 18.805 8.158 1.00 71.14 C ATOM 1182 CD GLU A 579 14.768 17.914 7.685 1.00 51.54 C ATOM 1183 OE1 GLU A 579 13.829 18.410 7.057 1.00 0.21 O ATOM 1184 OE2 GLU A 579 14.744 16.778 7.949 1.00 21.32 O ATOM 0 H GLU A 579 13.213 19.176 8.486 1.00 15.14 H new ATOM 0 HA GLU A 579 14.323 20.993 10.508 1.00 54.41 H new ATOM 0 HB2 GLU A 579 16.543 20.170 9.733 1.00 12.24 H new ATOM 0 HB3 GLU A 579 15.590 18.816 10.308 1.00 12.24 H new ATOM 0 HG2 GLU A 579 16.130 19.543 7.384 1.00 71.14 H new ATOM 0 HG3 GLU A 579 16.815 18.190 8.263 1.00 71.14 H new ATOM 1191 N GLU A 580 13.988 21.220 7.282 1.00 2.30 N ATOM 1192 CA GLU A 580 14.179 22.084 6.143 1.00 22.15 C ATOM 1193 C GLU A 580 12.940 22.787 5.677 1.00 14.34 C ATOM 1194 O GLU A 580 11.855 22.566 6.226 1.00 11.34 O ATOM 1195 CB GLU A 580 15.017 21.442 4.993 1.00 32.31 C ATOM 1196 CG GLU A 580 14.731 19.971 4.613 1.00 33.21 C ATOM 1197 CD GLU A 580 13.337 19.657 4.095 1.00 42.32 C ATOM 1198 OE1 GLU A 580 13.095 19.804 2.896 1.00 2.14 O ATOM 1199 OE2 GLU A 580 12.483 19.160 4.896 1.00 43.14 O ATOM 0 H GLU A 580 13.428 20.387 7.100 1.00 2.30 H new ATOM 0 HA GLU A 580 14.807 22.889 6.526 1.00 22.15 H new ATOM 0 HB2 GLU A 580 14.876 22.050 4.099 1.00 32.31 H new ATOM 0 HB3 GLU A 580 16.069 21.516 5.267 1.00 32.31 H new ATOM 0 HG2 GLU A 580 15.452 19.670 3.853 1.00 33.21 H new ATOM 0 HG3 GLU A 580 14.915 19.351 5.490 1.00 33.21 H new ATOM 1206 N TYR A 581 13.133 23.680 4.705 1.00 1.51 N ATOM 1207 CA TYR A 581 12.082 24.509 4.123 1.00 13.55 C ATOM 1208 C TYR A 581 10.880 23.653 3.751 1.00 50.40 C ATOM 1209 O TYR A 581 11.021 22.497 3.358 1.00 31.42 O ATOM 1210 CB TYR A 581 12.610 25.240 2.878 1.00 42.15 C ATOM 1211 CG TYR A 581 12.849 24.345 1.679 1.00 44.40 C ATOM 1212 CD1 TYR A 581 14.000 23.577 1.555 1.00 11.45 C ATOM 1213 CD2 TYR A 581 11.903 24.267 0.675 1.00 52.14 C ATOM 1214 CE1 TYR A 581 14.191 22.759 0.459 1.00 71.33 C ATOM 1215 CE2 TYR A 581 12.082 23.460 -0.410 1.00 22.43 C ATOM 1216 CZ TYR A 581 13.223 22.706 -0.521 1.00 45.13 C ATOM 1217 OH TYR A 581 13.403 21.900 -1.628 1.00 2.35 O ATOM 0 H TYR A 581 14.050 23.849 4.291 1.00 1.51 H new ATOM 0 HA TYR A 581 11.773 25.248 4.863 1.00 13.55 H new ATOM 0 HB2 TYR A 581 11.898 26.017 2.599 1.00 42.15 H new ATOM 0 HB3 TYR A 581 13.544 25.740 3.134 1.00 42.15 H new ATOM 0 HD1 TYR A 581 14.755 23.620 2.326 1.00 11.45 H new ATOM 0 HD2 TYR A 581 11.002 24.858 0.751 1.00 52.14 H new ATOM 0 HE1 TYR A 581 15.090 22.167 0.370 1.00 71.33 H new ATOM 0 HE2 TYR A 581 11.327 23.415 -1.181 1.00 22.43 H new ATOM 0 HH TYR A 581 12.626 21.979 -2.220 1.00 2.35 H new ATOM 1227 N GLU A 582 9.722 24.192 3.831 1.00 30.41 N ATOM 1228 CA GLU A 582 8.592 23.376 3.635 1.00 1.04 C ATOM 1229 C GLU A 582 7.686 23.837 2.536 1.00 75.34 C ATOM 1230 O GLU A 582 6.961 24.836 2.655 1.00 41.12 O ATOM 1231 CB GLU A 582 7.853 23.179 4.933 1.00 31.02 C ATOM 1232 CG GLU A 582 6.642 22.282 4.857 1.00 73.24 C ATOM 1233 CD GLU A 582 6.057 22.103 6.201 1.00 34.43 C ATOM 1234 OE1 GLU A 582 5.460 23.013 6.715 1.00 62.33 O ATOM 1235 OE2 GLU A 582 6.311 21.060 6.849 1.00 72.52 O ATOM 0 H GLU A 582 9.535 25.175 4.027 1.00 30.41 H new ATOM 0 HA GLU A 582 8.966 22.410 3.295 1.00 1.04 H new ATOM 0 HB2 GLU A 582 8.545 22.766 5.667 1.00 31.02 H new ATOM 0 HB3 GLU A 582 7.539 24.154 5.305 1.00 31.02 H new ATOM 0 HG2 GLU A 582 5.901 22.714 4.184 1.00 73.24 H new ATOM 0 HG3 GLU A 582 6.923 21.314 4.442 1.00 73.24 H new ATOM 1242 N LYS A 583 7.750 23.107 1.468 1.00 33.22 N ATOM 1243 CA LYS A 583 6.828 23.225 0.387 1.00 30.13 C ATOM 1244 C LYS A 583 5.820 22.111 0.610 1.00 51.32 C ATOM 1245 O LYS A 583 5.665 21.630 1.749 1.00 54.33 O ATOM 1246 CB LYS A 583 7.555 23.036 -0.958 1.00 20.20 C ATOM 1247 CG LYS A 583 8.717 23.996 -1.200 1.00 72.22 C ATOM 1248 CD LYS A 583 8.305 25.454 -1.061 1.00 11.22 C ATOM 1249 CE LYS A 583 9.431 26.394 -1.460 1.00 32.05 C ATOM 1250 NZ LYS A 583 9.093 27.815 -1.213 1.00 33.55 N ATOM 0 H LYS A 583 8.464 22.394 1.321 1.00 33.22 H new ATOM 0 HA LYS A 583 6.353 24.205 0.354 1.00 30.13 H new ATOM 0 HB2 LYS A 583 7.930 22.014 -1.011 1.00 20.20 H new ATOM 0 HB3 LYS A 583 6.832 23.153 -1.765 1.00 20.20 H new ATOM 0 HG2 LYS A 583 9.517 23.779 -0.493 1.00 72.22 H new ATOM 0 HG3 LYS A 583 9.120 23.829 -2.199 1.00 72.22 H new ATOM 0 HD2 LYS A 583 7.431 25.647 -1.684 1.00 11.22 H new ATOM 0 HD3 LYS A 583 8.012 25.653 -0.030 1.00 11.22 H new ATOM 0 HE2 LYS A 583 10.332 26.135 -0.903 1.00 32.05 H new ATOM 0 HE3 LYS A 583 9.659 26.256 -2.517 1.00 32.05 H new ATOM 0 HZ1 LYS A 583 9.891 28.417 -1.501 1.00 33.55 H new ATOM 0 HZ2 LYS A 583 8.249 28.072 -1.764 1.00 33.55 H new ATOM 0 HZ3 LYS A 583 8.901 27.955 -0.201 1.00 33.55 H new ATOM 1264 N ASN A 584 5.129 21.699 -0.388 1.00 30.43 N ATOM 1265 CA ASN A 584 4.246 20.561 -0.208 1.00 42.24 C ATOM 1266 C ASN A 584 5.068 19.287 -0.353 1.00 51.50 C ATOM 1267 O ASN A 584 5.259 18.789 -1.457 1.00 2.53 O ATOM 1268 CB ASN A 584 3.079 20.570 -1.209 1.00 33.42 C ATOM 1269 CG ASN A 584 2.062 19.471 -0.946 1.00 50.11 C ATOM 1270 OD1 ASN A 584 1.841 19.081 0.195 1.00 72.33 O ATOM 1271 ND2 ASN A 584 1.445 18.965 -1.986 1.00 2.12 N ATOM 0 H ASN A 584 5.141 22.106 -1.323 1.00 30.43 H new ATOM 0 HA ASN A 584 3.802 20.614 0.786 1.00 42.24 H new ATOM 0 HB2 ASN A 584 2.579 21.538 -1.167 1.00 33.42 H new ATOM 0 HB3 ASN A 584 3.473 20.458 -2.219 1.00 33.42 H new ATOM 0 HD21 ASN A 584 0.757 18.223 -1.859 1.00 2.12 H new ATOM 0 HD22 ASN A 584 1.653 19.313 -2.922 1.00 2.12 H new ATOM 1278 N LYS A 585 5.644 18.811 0.742 1.00 13.35 N ATOM 1279 CA LYS A 585 6.442 17.633 0.658 1.00 22.24 C ATOM 1280 C LYS A 585 5.704 16.432 1.126 1.00 53.03 C ATOM 1281 O LYS A 585 4.952 16.483 2.109 1.00 41.44 O ATOM 1282 CB LYS A 585 7.905 17.762 1.211 1.00 52.31 C ATOM 1283 CG LYS A 585 8.141 18.243 2.661 1.00 2.30 C ATOM 1284 CD LYS A 585 7.601 17.308 3.734 1.00 33.33 C ATOM 1285 CE LYS A 585 8.141 17.689 5.123 1.00 14.42 C ATOM 1286 NZ LYS A 585 7.805 19.081 5.509 1.00 13.34 N ATOM 0 H LYS A 585 5.567 19.223 1.672 1.00 13.35 H new ATOM 0 HA LYS A 585 6.624 17.486 -0.407 1.00 22.24 H new ATOM 0 HB2 LYS A 585 8.377 16.784 1.112 1.00 52.31 H new ATOM 0 HB3 LYS A 585 8.443 18.443 0.551 1.00 52.31 H new ATOM 0 HG2 LYS A 585 9.212 18.374 2.817 1.00 2.30 H new ATOM 0 HG3 LYS A 585 7.679 19.222 2.785 1.00 2.30 H new ATOM 0 HD2 LYS A 585 6.512 17.347 3.740 1.00 33.33 H new ATOM 0 HD3 LYS A 585 7.881 16.281 3.500 1.00 33.33 H new ATOM 0 HE2 LYS A 585 7.735 17.003 5.866 1.00 14.42 H new ATOM 0 HE3 LYS A 585 9.224 17.565 5.133 1.00 14.42 H new ATOM 0 HZ1 LYS A 585 8.179 19.277 6.459 1.00 13.34 H new ATOM 0 HZ2 LYS A 585 8.228 19.742 4.827 1.00 13.34 H new ATOM 0 HZ3 LYS A 585 6.772 19.201 5.512 1.00 13.34 H new ATOM 1300 N THR A 586 5.880 15.377 0.406 1.00 54.44 N ATOM 1301 CA THR A 586 5.189 14.176 0.641 1.00 72.44 C ATOM 1302 C THR A 586 6.014 13.012 0.164 1.00 74.33 C ATOM 1303 O THR A 586 6.877 13.161 -0.727 1.00 11.15 O ATOM 1304 CB THR A 586 3.771 14.222 -0.036 1.00 20.42 C ATOM 1305 OG1 THR A 586 3.098 12.980 0.068 1.00 73.32 O ATOM 1306 CG2 THR A 586 3.831 14.648 -1.497 1.00 5.43 C ATOM 0 H THR A 586 6.528 15.335 -0.381 1.00 54.44 H new ATOM 0 HA THR A 586 5.028 14.047 1.711 1.00 72.44 H new ATOM 0 HB THR A 586 3.209 14.977 0.513 1.00 20.42 H new ATOM 0 HG1 THR A 586 3.339 12.547 0.913 1.00 73.32 H new ATOM 0 HG21 THR A 586 2.824 14.662 -1.914 1.00 5.43 H new ATOM 0 HG22 THR A 586 4.267 15.644 -1.568 1.00 5.43 H new ATOM 0 HG23 THR A 586 4.445 13.943 -2.057 1.00 5.43 H new ATOM 1314 N PHE A 587 5.817 11.914 0.825 1.00 63.13 N ATOM 1315 CA PHE A 587 6.423 10.681 0.503 1.00 5.33 C ATOM 1316 C PHE A 587 5.336 9.655 0.308 1.00 52.51 C ATOM 1317 O PHE A 587 4.252 9.771 0.898 1.00 33.01 O ATOM 1318 CB PHE A 587 7.495 10.258 1.535 1.00 42.43 C ATOM 1319 CG PHE A 587 7.171 10.502 2.985 1.00 1.53 C ATOM 1320 CD1 PHE A 587 6.250 9.737 3.662 1.00 43.52 C ATOM 1321 CD2 PHE A 587 7.836 11.489 3.673 1.00 60.40 C ATOM 1322 CE1 PHE A 587 6.001 9.962 5.009 1.00 55.11 C ATOM 1323 CE2 PHE A 587 7.591 11.716 5.007 1.00 15.21 C ATOM 1324 CZ PHE A 587 6.674 10.950 5.676 1.00 54.32 C ATOM 0 H PHE A 587 5.201 11.861 1.637 1.00 63.13 H new ATOM 0 HA PHE A 587 6.980 10.779 -0.429 1.00 5.33 H new ATOM 0 HB2 PHE A 587 7.692 9.194 1.405 1.00 42.43 H new ATOM 0 HB3 PHE A 587 8.420 10.784 1.300 1.00 42.43 H new ATOM 0 HD1 PHE A 587 5.716 8.955 3.142 1.00 43.52 H new ATOM 0 HD2 PHE A 587 8.564 12.097 3.157 1.00 60.40 H new ATOM 0 HE1 PHE A 587 5.275 9.357 5.532 1.00 55.11 H new ATOM 0 HE2 PHE A 587 8.122 12.499 5.527 1.00 15.21 H new ATOM 0 HZ PHE A 587 6.483 11.124 6.725 1.00 54.32 H new ATOM 1334 N PHE A 588 5.597 8.687 -0.508 1.00 30.13 N ATOM 1335 CA PHE A 588 4.577 7.758 -0.917 1.00 62.32 C ATOM 1336 C PHE A 588 4.876 6.385 -0.379 1.00 15.04 C ATOM 1337 O PHE A 588 6.030 5.985 -0.302 1.00 32.35 O ATOM 1338 CB PHE A 588 4.516 7.711 -2.450 1.00 64.42 C ATOM 1339 CG PHE A 588 4.586 9.074 -3.088 1.00 32.43 C ATOM 1340 CD1 PHE A 588 3.487 9.907 -3.116 1.00 5.43 C ATOM 1341 CD2 PHE A 588 5.765 9.518 -3.648 1.00 41.23 C ATOM 1342 CE1 PHE A 588 3.568 11.160 -3.691 1.00 63.34 C ATOM 1343 CE2 PHE A 588 5.850 10.761 -4.221 1.00 12.53 C ATOM 1344 CZ PHE A 588 4.751 11.585 -4.244 1.00 62.01 C ATOM 0 H PHE A 588 6.517 8.512 -0.913 1.00 30.13 H new ATOM 0 HA PHE A 588 3.616 8.087 -0.522 1.00 62.32 H new ATOM 0 HB2 PHE A 588 5.339 7.100 -2.822 1.00 64.42 H new ATOM 0 HB3 PHE A 588 3.592 7.221 -2.756 1.00 64.42 H new ATOM 0 HD1 PHE A 588 2.554 9.576 -2.684 1.00 5.43 H new ATOM 0 HD2 PHE A 588 6.634 8.877 -3.635 1.00 41.23 H new ATOM 0 HE1 PHE A 588 2.702 11.805 -3.706 1.00 63.34 H new ATOM 0 HE2 PHE A 588 6.782 11.092 -4.655 1.00 12.53 H new ATOM 0 HZ PHE A 588 4.817 12.564 -4.696 1.00 62.01 H new ATOM 1354 N LEU A 589 3.863 5.684 0.020 1.00 32.12 N ATOM 1355 CA LEU A 589 4.027 4.327 0.472 1.00 74.41 C ATOM 1356 C LEU A 589 3.443 3.435 -0.617 1.00 23.42 C ATOM 1357 O LEU A 589 2.343 3.706 -1.127 1.00 24.22 O ATOM 1358 CB LEU A 589 3.289 4.122 1.817 1.00 21.04 C ATOM 1359 CG LEU A 589 3.804 3.021 2.779 1.00 75.10 C ATOM 1360 CD1 LEU A 589 3.768 1.636 2.171 1.00 41.31 C ATOM 1361 CD2 LEU A 589 5.193 3.356 3.271 1.00 3.32 C ATOM 0 H LEU A 589 2.903 6.027 0.044 1.00 32.12 H new ATOM 0 HA LEU A 589 5.076 4.085 0.644 1.00 74.41 H new ATOM 0 HB2 LEU A 589 3.310 5.070 2.355 1.00 21.04 H new ATOM 0 HB3 LEU A 589 2.244 3.906 1.593 1.00 21.04 H new ATOM 0 HG LEU A 589 3.119 3.001 3.627 1.00 75.10 H new ATOM 0 HD11 LEU A 589 4.141 0.911 2.895 1.00 41.31 H new ATOM 0 HD12 LEU A 589 2.743 1.384 1.900 1.00 41.31 H new ATOM 0 HD13 LEU A 589 4.394 1.614 1.279 1.00 41.31 H new ATOM 0 HD21 LEU A 589 5.539 2.573 3.945 1.00 3.32 H new ATOM 0 HD22 LEU A 589 5.872 3.430 2.421 1.00 3.32 H new ATOM 0 HD23 LEU A 589 5.171 4.308 3.802 1.00 3.32 H new ATOM 1373 N GLU A 590 4.179 2.432 -1.002 1.00 41.40 N ATOM 1374 CA GLU A 590 3.767 1.511 -2.033 1.00 2.40 C ATOM 1375 C GLU A 590 4.215 0.118 -1.637 1.00 41.25 C ATOM 1376 O GLU A 590 5.271 -0.032 -1.006 1.00 61.43 O ATOM 1377 CB GLU A 590 4.421 1.921 -3.356 1.00 3.25 C ATOM 1378 CG GLU A 590 4.101 1.032 -4.538 1.00 64.14 C ATOM 1379 CD GLU A 590 4.900 1.404 -5.749 1.00 32.51 C ATOM 1380 OE1 GLU A 590 6.115 1.122 -5.774 1.00 51.14 O ATOM 1381 OE2 GLU A 590 4.334 1.966 -6.707 1.00 13.25 O ATOM 0 H GLU A 590 5.096 2.224 -0.606 1.00 41.40 H new ATOM 0 HA GLU A 590 2.684 1.525 -2.154 1.00 2.40 H new ATOM 0 HB2 GLU A 590 4.113 2.939 -3.594 1.00 3.25 H new ATOM 0 HB3 GLU A 590 5.502 1.939 -3.218 1.00 3.25 H new ATOM 0 HG2 GLU A 590 4.302 -0.007 -4.276 1.00 64.14 H new ATOM 0 HG3 GLU A 590 3.038 1.103 -4.768 1.00 64.14 H new ATOM 1388 N ILE A 591 3.411 -0.873 -1.962 1.00 34.10 N ATOM 1389 CA ILE A 591 3.743 -2.254 -1.695 1.00 73.04 C ATOM 1390 C ILE A 591 4.357 -2.887 -2.944 1.00 54.31 C ATOM 1391 O ILE A 591 4.336 -2.285 -4.028 1.00 71.22 O ATOM 1392 CB ILE A 591 2.516 -3.068 -1.196 1.00 63.23 C ATOM 1393 CG1 ILE A 591 1.383 -3.056 -2.233 1.00 52.32 C ATOM 1394 CG2 ILE A 591 2.042 -2.520 0.152 1.00 33.21 C ATOM 1395 CD1 ILE A 591 0.117 -3.759 -1.795 1.00 31.22 C ATOM 0 H ILE A 591 2.509 -0.742 -2.419 1.00 34.10 H new ATOM 0 HA ILE A 591 4.475 -2.275 -0.888 1.00 73.04 H new ATOM 0 HB ILE A 591 2.817 -4.107 -1.061 1.00 63.23 H new ATOM 0 HG12 ILE A 591 1.142 -2.021 -2.476 1.00 52.32 H new ATOM 0 HG13 ILE A 591 1.743 -3.523 -3.150 1.00 52.32 H new ATOM 0 HG21 ILE A 591 1.182 -3.095 0.496 1.00 33.21 H new ATOM 0 HG22 ILE A 591 2.848 -2.601 0.881 1.00 33.21 H new ATOM 0 HG23 ILE A 591 1.758 -1.474 0.040 1.00 33.21 H new ATOM 0 HD11 ILE A 591 -0.626 -3.699 -2.590 1.00 31.22 H new ATOM 0 HD12 ILE A 591 0.337 -4.805 -1.581 1.00 31.22 H new ATOM 0 HD13 ILE A 591 -0.273 -3.280 -0.897 1.00 31.22 H new ATOM 1407 N GLY A 592 4.929 -4.049 -2.803 1.00 43.34 N ATOM 1408 CA GLY A 592 5.577 -4.682 -3.919 1.00 34.51 C ATOM 1409 C GLY A 592 4.963 -6.001 -4.306 1.00 10.24 C ATOM 1410 O GLY A 592 3.781 -6.243 -4.053 1.00 62.33 O ATOM 0 H GLY A 592 4.961 -4.576 -1.931 1.00 43.34 H new ATOM 0 HA2 GLY A 592 5.543 -4.010 -4.777 1.00 34.51 H new ATOM 0 HA3 GLY A 592 6.628 -4.838 -3.677 1.00 34.51 H new ATOM 1414 N GLU A 593 5.770 -6.847 -4.916 1.00 41.22 N ATOM 1415 CA GLU A 593 5.347 -8.168 -5.357 1.00 51.11 C ATOM 1416 C GLU A 593 5.283 -9.098 -4.134 1.00 21.22 C ATOM 1417 O GLU A 593 6.293 -9.278 -3.433 1.00 14.54 O ATOM 1418 CB GLU A 593 6.337 -8.697 -6.420 1.00 73.02 C ATOM 1419 CG GLU A 593 6.023 -10.077 -6.998 1.00 2.20 C ATOM 1420 CD GLU A 593 7.140 -10.607 -7.908 1.00 5.05 C ATOM 1421 OE1 GLU A 593 8.313 -10.676 -7.445 1.00 55.33 O ATOM 1422 OE2 GLU A 593 6.877 -10.946 -9.085 1.00 13.52 O ATOM 0 H GLU A 593 6.747 -6.638 -5.123 1.00 41.22 H new ATOM 0 HA GLU A 593 4.358 -8.124 -5.814 1.00 51.11 H new ATOM 0 HB2 GLU A 593 6.375 -7.981 -7.241 1.00 73.02 H new ATOM 0 HB3 GLU A 593 7.333 -8.728 -5.977 1.00 73.02 H new ATOM 0 HG2 GLU A 593 5.861 -10.780 -6.181 1.00 2.20 H new ATOM 0 HG3 GLU A 593 5.093 -10.026 -7.564 1.00 2.20 H new ATOM 1429 N PRO A 594 4.088 -9.631 -3.816 1.00 23.50 N ATOM 1430 CA PRO A 594 3.907 -10.507 -2.675 1.00 60.22 C ATOM 1431 C PRO A 594 4.639 -11.836 -2.850 1.00 64.25 C ATOM 1432 O PRO A 594 4.597 -12.462 -3.918 1.00 4.23 O ATOM 1433 CB PRO A 594 2.394 -10.714 -2.589 1.00 44.53 C ATOM 1434 CG PRO A 594 1.864 -10.374 -3.931 1.00 73.32 C ATOM 1435 CD PRO A 594 2.835 -9.416 -4.558 1.00 52.43 C ATOM 0 HA PRO A 594 4.322 -10.075 -1.764 1.00 60.22 H new ATOM 0 HB2 PRO A 594 2.154 -11.744 -2.323 1.00 44.53 H new ATOM 0 HB3 PRO A 594 1.955 -10.076 -1.822 1.00 44.53 H new ATOM 0 HG2 PRO A 594 1.758 -11.270 -4.542 1.00 73.32 H new ATOM 0 HG3 PRO A 594 0.875 -9.923 -3.852 1.00 73.32 H new ATOM 0 HD2 PRO A 594 2.963 -9.618 -5.621 1.00 52.43 H new ATOM 0 HD3 PRO A 594 2.491 -8.385 -4.468 1.00 52.43 H new ATOM 1443 N ARG A 595 5.259 -12.283 -1.794 1.00 30.23 N ATOM 1444 CA ARG A 595 6.089 -13.458 -1.840 1.00 21.30 C ATOM 1445 C ARG A 595 5.496 -14.542 -0.958 1.00 62.15 C ATOM 1446 O ARG A 595 5.264 -14.331 0.251 1.00 54.31 O ATOM 1447 CB ARG A 595 7.551 -13.096 -1.446 1.00 0.14 C ATOM 1448 CG ARG A 595 7.669 -12.474 -0.068 1.00 12.30 C ATOM 1449 CD ARG A 595 9.019 -11.824 0.203 1.00 62.11 C ATOM 1450 NE ARG A 595 10.140 -12.758 0.238 1.00 43.22 N ATOM 1451 CZ ARG A 595 11.233 -12.631 1.015 1.00 43.02 C ATOM 1452 NH1 ARG A 595 11.420 -11.546 1.761 1.00 12.30 N ATOM 1453 NH2 ARG A 595 12.163 -13.565 0.980 1.00 1.44 N ATOM 0 H ARG A 595 5.204 -11.844 -0.875 1.00 30.23 H new ATOM 0 HA ARG A 595 6.122 -13.851 -2.856 1.00 21.30 H new ATOM 0 HB2 ARG A 595 8.163 -13.997 -1.483 1.00 0.14 H new ATOM 0 HB3 ARG A 595 7.957 -12.405 -2.184 1.00 0.14 H new ATOM 0 HG2 ARG A 595 6.886 -11.725 0.050 1.00 12.30 H new ATOM 0 HG3 ARG A 595 7.490 -13.243 0.683 1.00 12.30 H new ATOM 0 HD2 ARG A 595 9.209 -11.075 -0.566 1.00 62.11 H new ATOM 0 HD3 ARG A 595 8.971 -11.297 1.156 1.00 62.11 H new ATOM 0 HE ARG A 595 10.092 -13.572 -0.375 1.00 43.22 H new ATOM 0 HH11 ARG A 595 10.730 -10.795 1.750 1.00 12.30 H new ATOM 0 HH12 ARG A 595 12.253 -11.465 2.344 1.00 12.30 H new ATOM 0 HH21 ARG A 595 12.051 -14.374 0.369 1.00 1.44 H new ATOM 0 HH22 ARG A 595 12.995 -13.479 1.564 1.00 1.44 H new ATOM 1467 N LEU A 596 5.167 -15.659 -1.566 1.00 72.31 N ATOM 1468 CA LEU A 596 4.608 -16.780 -0.847 1.00 4.43 C ATOM 1469 C LEU A 596 5.714 -17.376 0.031 1.00 53.21 C ATOM 1470 O LEU A 596 6.795 -17.688 -0.457 1.00 41.10 O ATOM 1471 CB LEU A 596 4.130 -17.866 -1.840 1.00 22.55 C ATOM 1472 CG LEU A 596 2.848 -18.671 -1.481 1.00 3.54 C ATOM 1473 CD1 LEU A 596 2.760 -19.050 -0.011 1.00 63.44 C ATOM 1474 CD2 LEU A 596 1.610 -17.943 -1.934 1.00 71.12 C ATOM 0 H LEU A 596 5.279 -15.815 -2.568 1.00 72.31 H new ATOM 0 HA LEU A 596 3.761 -16.447 -0.247 1.00 4.43 H new ATOM 0 HB2 LEU A 596 3.964 -17.386 -2.805 1.00 22.55 H new ATOM 0 HB3 LEU A 596 4.945 -18.578 -1.974 1.00 22.55 H new ATOM 0 HG LEU A 596 2.918 -19.612 -2.026 1.00 3.54 H new ATOM 0 HD11 LEU A 596 1.841 -19.609 0.166 1.00 63.44 H new ATOM 0 HD12 LEU A 596 3.618 -19.667 0.258 1.00 63.44 H new ATOM 0 HD13 LEU A 596 2.758 -18.146 0.598 1.00 63.44 H new ATOM 0 HD21 LEU A 596 0.728 -18.527 -1.671 1.00 71.12 H new ATOM 0 HD22 LEU A 596 1.560 -16.970 -1.445 1.00 71.12 H new ATOM 0 HD23 LEU A 596 1.644 -17.804 -3.015 1.00 71.12 H new ATOM 1486 N VAL A 597 5.434 -17.562 1.304 1.00 30.03 N ATOM 1487 CA VAL A 597 6.405 -18.151 2.237 1.00 20.31 C ATOM 1488 C VAL A 597 6.193 -19.683 2.255 1.00 5.43 C ATOM 1489 O VAL A 597 6.272 -20.356 3.289 1.00 54.24 O ATOM 1490 CB VAL A 597 6.205 -17.566 3.659 1.00 33.02 C ATOM 1491 CG1 VAL A 597 7.364 -17.923 4.593 1.00 34.21 C ATOM 1492 CG2 VAL A 597 6.031 -16.069 3.602 1.00 52.44 C ATOM 0 H VAL A 597 4.540 -17.316 1.730 1.00 30.03 H new ATOM 0 HA VAL A 597 7.420 -17.918 1.915 1.00 20.31 H new ATOM 0 HB VAL A 597 5.298 -18.015 4.064 1.00 33.02 H new ATOM 0 HG11 VAL A 597 7.183 -17.493 5.578 1.00 34.21 H new ATOM 0 HG12 VAL A 597 7.442 -19.007 4.679 1.00 34.21 H new ATOM 0 HG13 VAL A 597 8.294 -17.523 4.188 1.00 34.21 H new ATOM 0 HG21 VAL A 597 5.892 -15.680 4.611 1.00 52.44 H new ATOM 0 HG22 VAL A 597 6.917 -15.616 3.157 1.00 52.44 H new ATOM 0 HG23 VAL A 597 5.158 -15.827 2.997 1.00 52.44 H new ATOM 1502 N GLU A 598 5.878 -20.190 1.084 1.00 51.23 N ATOM 1503 CA GLU A 598 5.666 -21.614 0.780 1.00 50.34 C ATOM 1504 C GLU A 598 4.415 -22.237 1.365 1.00 44.42 C ATOM 1505 O GLU A 598 3.780 -23.041 0.693 1.00 31.22 O ATOM 1506 CB GLU A 598 6.878 -22.482 1.089 1.00 1.50 C ATOM 1507 CG GLU A 598 8.045 -22.287 0.160 1.00 21.52 C ATOM 1508 CD GLU A 598 9.180 -23.199 0.511 1.00 30.52 C ATOM 1509 OE1 GLU A 598 9.073 -24.425 0.273 1.00 73.41 O ATOM 1510 OE2 GLU A 598 10.210 -22.718 1.024 1.00 23.21 O ATOM 0 H GLU A 598 5.753 -19.598 0.263 1.00 51.23 H new ATOM 0 HA GLU A 598 5.511 -21.596 -0.299 1.00 50.34 H new ATOM 0 HB2 GLU A 598 7.204 -22.276 2.108 1.00 1.50 H new ATOM 0 HB3 GLU A 598 6.576 -23.529 1.056 1.00 1.50 H new ATOM 0 HG2 GLU A 598 7.730 -22.474 -0.867 1.00 21.52 H new ATOM 0 HG3 GLU A 598 8.381 -21.251 0.207 1.00 21.52 H new ATOM 1517 N MET A 599 4.081 -21.888 2.595 1.00 45.13 N ATOM 1518 CA MET A 599 2.959 -22.513 3.309 1.00 42.42 C ATOM 1519 C MET A 599 1.673 -22.462 2.524 1.00 41.12 C ATOM 1520 O MET A 599 1.095 -21.401 2.319 1.00 45.33 O ATOM 1521 CB MET A 599 2.738 -21.960 4.725 1.00 24.20 C ATOM 1522 CG MET A 599 1.668 -22.757 5.500 1.00 33.05 C ATOM 1523 SD MET A 599 1.409 -22.208 7.204 1.00 40.44 S ATOM 1524 CE MET A 599 0.691 -20.594 6.944 1.00 61.42 C ATOM 0 H MET A 599 4.569 -21.171 3.131 1.00 45.13 H new ATOM 0 HA MET A 599 3.256 -23.556 3.417 1.00 42.42 H new ATOM 0 HB2 MET A 599 3.679 -21.987 5.275 1.00 24.20 H new ATOM 0 HB3 MET A 599 2.436 -20.915 4.662 1.00 24.20 H new ATOM 0 HG2 MET A 599 0.722 -22.689 4.962 1.00 33.05 H new ATOM 0 HG3 MET A 599 1.954 -23.809 5.510 1.00 33.05 H new ATOM 0 HE1 MET A 599 0.690 -20.041 7.883 1.00 61.42 H new ATOM 0 HE2 MET A 599 1.277 -20.050 6.203 1.00 61.42 H new ATOM 0 HE3 MET A 599 -0.333 -20.705 6.587 1.00 61.42 H new ATOM 1534 N SER A 600 1.293 -23.625 2.079 1.00 63.43 N ATOM 1535 CA SER A 600 0.123 -23.900 1.321 1.00 34.13 C ATOM 1536 C SER A 600 0.208 -25.377 1.053 1.00 33.30 C ATOM 1537 O SER A 600 1.173 -25.852 0.426 1.00 0.43 O ATOM 1538 CB SER A 600 0.111 -23.112 0.006 1.00 71.53 C ATOM 1539 OG SER A 600 -1.099 -23.310 -0.720 1.00 63.04 O ATOM 0 H SER A 600 1.842 -24.466 2.255 1.00 63.43 H new ATOM 0 HA SER A 600 -0.788 -23.613 1.846 1.00 34.13 H new ATOM 0 HB2 SER A 600 0.238 -22.050 0.218 1.00 71.53 H new ATOM 0 HB3 SER A 600 0.958 -23.418 -0.609 1.00 71.53 H new ATOM 0 HG SER A 600 -1.071 -22.791 -1.551 1.00 63.04 H new ATOM 1545 N GLU A 601 -0.713 -26.114 1.559 1.00 24.42 N ATOM 1546 CA GLU A 601 -0.607 -27.527 1.463 1.00 40.51 C ATOM 1547 C GLU A 601 -1.783 -28.154 0.767 1.00 63.45 C ATOM 1548 O GLU A 601 -2.949 -27.832 1.051 1.00 73.44 O ATOM 1549 CB GLU A 601 -0.434 -28.139 2.855 1.00 63.22 C ATOM 1550 CG GLU A 601 -1.547 -27.766 3.823 1.00 40.53 C ATOM 1551 CD GLU A 601 -1.480 -28.521 5.105 1.00 33.40 C ATOM 1552 OE1 GLU A 601 -1.872 -29.697 5.123 1.00 63.53 O ATOM 1553 OE2 GLU A 601 -1.045 -27.959 6.122 1.00 13.31 O ATOM 0 H GLU A 601 -1.543 -25.768 2.040 1.00 24.42 H new ATOM 0 HA GLU A 601 0.273 -27.738 0.855 1.00 40.51 H new ATOM 0 HB2 GLU A 601 -0.391 -29.224 2.764 1.00 63.22 H new ATOM 0 HB3 GLU A 601 0.521 -27.816 3.269 1.00 63.22 H new ATOM 0 HG2 GLU A 601 -1.495 -26.698 4.034 1.00 40.53 H new ATOM 0 HG3 GLU A 601 -2.511 -27.951 3.349 1.00 40.53 H new ATOM 1560 N LYS A 602 -1.486 -29.008 -0.166 1.00 44.33 N ATOM 1561 CA LYS A 602 -2.486 -29.866 -0.721 1.00 11.53 C ATOM 1562 C LYS A 602 -2.450 -31.099 0.132 1.00 43.33 C ATOM 1563 O LYS A 602 -1.380 -31.671 0.336 1.00 23.42 O ATOM 1564 CB LYS A 602 -2.205 -30.237 -2.187 1.00 55.44 C ATOM 1565 CG LYS A 602 -2.193 -29.061 -3.148 1.00 4.32 C ATOM 1566 CD LYS A 602 -2.082 -29.513 -4.612 1.00 63.42 C ATOM 1567 CE LYS A 602 -0.798 -30.291 -4.895 1.00 70.44 C ATOM 1568 NZ LYS A 602 -0.697 -30.696 -6.313 1.00 4.32 N ATOM 0 H LYS A 602 -0.553 -29.128 -0.560 1.00 44.33 H new ATOM 0 HA LYS A 602 -3.457 -29.370 -0.725 1.00 11.53 H new ATOM 0 HB2 LYS A 602 -1.241 -30.743 -2.241 1.00 55.44 H new ATOM 0 HB3 LYS A 602 -2.959 -30.951 -2.518 1.00 55.44 H new ATOM 0 HG2 LYS A 602 -3.104 -28.477 -3.017 1.00 4.32 H new ATOM 0 HG3 LYS A 602 -1.357 -28.405 -2.907 1.00 4.32 H new ATOM 0 HD2 LYS A 602 -2.941 -30.136 -4.862 1.00 63.42 H new ATOM 0 HD3 LYS A 602 -2.122 -28.639 -5.262 1.00 63.42 H new ATOM 0 HE2 LYS A 602 0.063 -29.677 -4.631 1.00 70.44 H new ATOM 0 HE3 LYS A 602 -0.764 -31.177 -4.262 1.00 70.44 H new ATOM 0 HZ1 LYS A 602 0.188 -31.221 -6.462 1.00 4.32 H new ATOM 0 HZ2 LYS A 602 -1.505 -31.303 -6.559 1.00 4.32 H new ATOM 0 HZ3 LYS A 602 -0.703 -29.849 -6.917 1.00 4.32 H new ATOM 1582 N LYS A 603 -3.582 -31.525 0.620 1.00 4.02 N ATOM 1583 CA LYS A 603 -3.639 -32.639 1.564 1.00 45.22 C ATOM 1584 C LYS A 603 -3.419 -33.999 0.846 1.00 34.51 C ATOM 1585 O LYS A 603 -3.528 -35.068 1.447 1.00 63.11 O ATOM 1586 CB LYS A 603 -4.985 -32.615 2.320 1.00 14.01 C ATOM 1587 CG LYS A 603 -5.033 -33.481 3.591 1.00 3.44 C ATOM 1588 CD LYS A 603 -4.120 -32.942 4.703 1.00 10.54 C ATOM 1589 CE LYS A 603 -4.635 -31.617 5.267 1.00 62.31 C ATOM 1590 NZ LYS A 603 -3.762 -31.083 6.337 1.00 30.30 N ATOM 0 H LYS A 603 -4.490 -31.124 0.386 1.00 4.02 H new ATOM 0 HA LYS A 603 -2.831 -32.525 2.287 1.00 45.22 H new ATOM 0 HB2 LYS A 603 -5.213 -31.584 2.592 1.00 14.01 H new ATOM 0 HB3 LYS A 603 -5.771 -32.947 1.642 1.00 14.01 H new ATOM 0 HG2 LYS A 603 -6.059 -33.527 3.957 1.00 3.44 H new ATOM 0 HG3 LYS A 603 -4.737 -34.500 3.344 1.00 3.44 H new ATOM 0 HD2 LYS A 603 -4.052 -33.677 5.505 1.00 10.54 H new ATOM 0 HD3 LYS A 603 -3.112 -32.803 4.311 1.00 10.54 H new ATOM 0 HE2 LYS A 603 -4.707 -30.886 4.462 1.00 62.31 H new ATOM 0 HE3 LYS A 603 -5.642 -31.759 5.660 1.00 62.31 H new ATOM 0 HZ1 LYS A 603 -4.179 -30.212 6.722 1.00 30.30 H new ATOM 0 HZ2 LYS A 603 -3.672 -31.789 7.096 1.00 30.30 H new ATOM 0 HZ3 LYS A 603 -2.822 -30.873 5.945 1.00 30.30 H new ATOM 1604 N GLY A 604 -3.076 -33.938 -0.426 1.00 42.11 N ATOM 1605 CA GLY A 604 -2.813 -35.126 -1.207 1.00 2.21 C ATOM 1606 C GLY A 604 -1.348 -35.530 -1.160 1.00 31.14 C ATOM 1607 O GLY A 604 -0.859 -36.226 -2.045 1.00 33.12 O ATOM 0 H GLY A 604 -2.973 -33.065 -0.944 1.00 42.11 H new ATOM 0 HA2 GLY A 604 -3.427 -35.947 -0.835 1.00 2.21 H new ATOM 0 HA3 GLY A 604 -3.107 -34.951 -2.242 1.00 2.21 H new ATOM 1611 N GLY A 605 -0.643 -35.056 -0.152 1.00 24.44 N ATOM 1612 CA GLY A 605 0.730 -35.441 0.035 1.00 1.21 C ATOM 1613 C GLY A 605 1.699 -34.592 -0.753 1.00 23.00 C ATOM 1614 O GLY A 605 2.649 -35.129 -1.355 1.00 65.44 O ATOM 0 H GLY A 605 -1.003 -34.405 0.546 1.00 24.44 H new ATOM 0 HA2 GLY A 605 0.978 -35.375 1.094 1.00 1.21 H new ATOM 0 HA3 GLY A 605 0.851 -36.484 -0.257 1.00 1.21 H new ATOM 1618 N PHE A 606 1.475 -33.281 -0.779 1.00 21.44 N ATOM 1619 CA PHE A 606 2.376 -32.380 -1.477 1.00 74.53 C ATOM 1620 C PHE A 606 2.198 -30.953 -0.981 1.00 64.31 C ATOM 1621 O PHE A 606 1.074 -30.419 -0.964 1.00 32.13 O ATOM 1622 CB PHE A 606 2.153 -32.428 -2.999 1.00 11.45 C ATOM 1623 CG PHE A 606 3.214 -31.698 -3.787 1.00 64.53 C ATOM 1624 CD1 PHE A 606 4.405 -32.327 -4.101 1.00 23.13 C ATOM 1625 CD2 PHE A 606 3.024 -30.393 -4.208 1.00 62.51 C ATOM 1626 CE1 PHE A 606 5.386 -31.671 -4.818 1.00 42.44 C ATOM 1627 CE2 PHE A 606 4.002 -29.732 -4.925 1.00 2.12 C ATOM 1628 CZ PHE A 606 5.185 -30.372 -5.230 1.00 41.52 C ATOM 0 H PHE A 606 0.682 -32.825 -0.327 1.00 21.44 H new ATOM 0 HA PHE A 606 3.393 -32.711 -1.267 1.00 74.53 H new ATOM 0 HB2 PHE A 606 2.124 -33.469 -3.321 1.00 11.45 H new ATOM 0 HB3 PHE A 606 1.179 -31.996 -3.229 1.00 11.45 H new ATOM 0 HD1 PHE A 606 4.570 -33.345 -3.781 1.00 23.13 H new ATOM 0 HD2 PHE A 606 2.100 -29.886 -3.973 1.00 62.51 H new ATOM 0 HE1 PHE A 606 6.311 -32.176 -5.056 1.00 42.44 H new ATOM 0 HE2 PHE A 606 3.840 -28.714 -5.247 1.00 2.12 H new ATOM 0 HZ PHE A 606 5.951 -29.856 -5.790 1.00 41.52 H new ATOM 1638 N THR A 607 3.275 -30.346 -0.588 1.00 41.34 N ATOM 1639 CA THR A 607 3.262 -28.988 -0.165 1.00 32.13 C ATOM 1640 C THR A 607 3.696 -28.076 -1.319 1.00 54.32 C ATOM 1641 O THR A 607 4.651 -28.376 -2.034 1.00 75.42 O ATOM 1642 CB THR A 607 4.131 -28.793 1.090 1.00 54.13 C ATOM 1643 OG1 THR A 607 5.405 -29.458 0.934 1.00 61.54 O ATOM 1644 CG2 THR A 607 3.420 -29.333 2.322 1.00 42.23 C ATOM 0 H THR A 607 4.194 -30.787 -0.553 1.00 41.34 H new ATOM 0 HA THR A 607 2.245 -28.711 0.113 1.00 32.13 H new ATOM 0 HB THR A 607 4.302 -27.724 1.219 1.00 54.13 H new ATOM 0 HG1 THR A 607 5.946 -29.323 1.740 1.00 61.54 H new ATOM 0 HG21 THR A 607 4.050 -29.186 3.199 1.00 42.23 H new ATOM 0 HG22 THR A 607 2.477 -28.803 2.459 1.00 42.23 H new ATOM 0 HG23 THR A 607 3.223 -30.397 2.191 1.00 42.23 H new ATOM 1652 N ILE A 608 2.976 -26.992 -1.504 1.00 20.13 N ATOM 1653 CA ILE A 608 3.182 -26.086 -2.631 1.00 33.32 C ATOM 1654 C ILE A 608 4.440 -25.251 -2.419 1.00 10.34 C ATOM 1655 O ILE A 608 4.868 -25.019 -1.276 1.00 51.31 O ATOM 1656 CB ILE A 608 1.952 -25.134 -2.774 1.00 62.43 C ATOM 1657 CG1 ILE A 608 0.645 -25.921 -2.949 1.00 44.04 C ATOM 1658 CG2 ILE A 608 2.114 -24.115 -3.912 1.00 14.31 C ATOM 1659 CD1 ILE A 608 0.601 -26.775 -4.209 1.00 35.20 C ATOM 0 H ILE A 608 2.224 -26.705 -0.877 1.00 20.13 H new ATOM 0 HA ILE A 608 3.296 -26.680 -3.538 1.00 33.32 H new ATOM 0 HB ILE A 608 1.901 -24.573 -1.841 1.00 62.43 H new ATOM 0 HG12 ILE A 608 0.501 -26.564 -2.081 1.00 44.04 H new ATOM 0 HG13 ILE A 608 -0.190 -25.220 -2.968 1.00 44.04 H new ATOM 0 HG21 ILE A 608 1.228 -23.482 -3.962 1.00 14.31 H new ATOM 0 HG22 ILE A 608 2.992 -23.497 -3.725 1.00 14.31 H new ATOM 0 HG23 ILE A 608 2.237 -24.642 -4.858 1.00 14.31 H new ATOM 0 HD11 ILE A 608 -0.353 -27.299 -4.260 1.00 35.20 H new ATOM 0 HD12 ILE A 608 0.712 -26.136 -5.085 1.00 35.20 H new ATOM 0 HD13 ILE A 608 1.413 -27.502 -4.185 1.00 35.20 H new ATOM 1671 N THR A 609 5.047 -24.843 -3.502 1.00 44.31 N ATOM 1672 CA THR A 609 6.170 -24.000 -3.449 1.00 34.24 C ATOM 1673 C THR A 609 6.296 -23.157 -4.728 1.00 60.54 C ATOM 1674 O THR A 609 7.069 -23.454 -5.657 1.00 23.14 O ATOM 1675 CB THR A 609 7.448 -24.785 -3.072 1.00 24.33 C ATOM 1676 OG1 THR A 609 8.607 -23.946 -3.037 1.00 74.41 O ATOM 1677 CG2 THR A 609 7.682 -26.002 -3.969 1.00 75.55 C ATOM 0 H THR A 609 4.758 -25.100 -4.446 1.00 44.31 H new ATOM 0 HA THR A 609 6.029 -23.280 -2.643 1.00 34.24 H new ATOM 0 HB THR A 609 7.277 -25.159 -2.062 1.00 24.33 H new ATOM 0 HG1 THR A 609 9.391 -24.481 -2.794 1.00 74.41 H new ATOM 0 HG21 THR A 609 8.593 -26.514 -3.658 1.00 75.55 H new ATOM 0 HG22 THR A 609 6.836 -26.684 -3.885 1.00 75.55 H new ATOM 0 HG23 THR A 609 7.785 -25.677 -5.004 1.00 75.55 H new ATOM 1685 N GLU A 610 5.440 -22.159 -4.808 1.00 2.14 N ATOM 1686 CA GLU A 610 5.463 -21.208 -5.897 1.00 74.34 C ATOM 1687 C GLU A 610 6.439 -20.125 -5.515 1.00 22.13 C ATOM 1688 O GLU A 610 6.061 -19.113 -4.917 1.00 21.10 O ATOM 1689 CB GLU A 610 4.073 -20.578 -6.125 1.00 21.33 C ATOM 1690 CG GLU A 610 2.955 -21.560 -6.435 1.00 24.53 C ATOM 1691 CD GLU A 610 3.142 -22.289 -7.738 1.00 12.32 C ATOM 1692 OE1 GLU A 610 2.718 -21.769 -8.791 1.00 62.42 O ATOM 1693 OE2 GLU A 610 3.684 -23.404 -7.738 1.00 4.42 O ATOM 0 H GLU A 610 4.709 -21.985 -4.119 1.00 2.14 H new ATOM 0 HA GLU A 610 5.752 -21.712 -6.819 1.00 74.34 H new ATOM 0 HB2 GLU A 610 3.799 -20.011 -5.235 1.00 21.33 H new ATOM 0 HB3 GLU A 610 4.146 -19.866 -6.947 1.00 21.33 H new ATOM 0 HG2 GLU A 610 2.887 -22.288 -5.627 1.00 24.53 H new ATOM 0 HG3 GLU A 610 2.007 -21.023 -6.461 1.00 24.53 H new ATOM 1700 N GLU A 611 7.690 -20.357 -5.767 1.00 33.24 N ATOM 1701 CA GLU A 611 8.683 -19.427 -5.353 1.00 65.01 C ATOM 1702 C GLU A 611 8.951 -18.343 -6.371 1.00 23.54 C ATOM 1703 O GLU A 611 9.717 -18.518 -7.332 1.00 54.45 O ATOM 1704 CB GLU A 611 9.968 -20.090 -4.861 1.00 33.15 C ATOM 1705 CG GLU A 611 10.555 -21.130 -5.786 1.00 73.25 C ATOM 1706 CD GLU A 611 11.967 -21.463 -5.412 1.00 63.32 C ATOM 1707 OE1 GLU A 611 12.891 -20.801 -5.919 1.00 51.43 O ATOM 1708 OE2 GLU A 611 12.179 -22.375 -4.588 1.00 50.34 O ATOM 0 H GLU A 611 8.043 -21.180 -6.256 1.00 33.24 H new ATOM 0 HA GLU A 611 8.251 -18.927 -4.486 1.00 65.01 H new ATOM 0 HB2 GLU A 611 10.715 -19.315 -4.692 1.00 33.15 H new ATOM 0 HB3 GLU A 611 9.770 -20.557 -3.896 1.00 33.15 H new ATOM 0 HG2 GLU A 611 9.946 -22.033 -5.753 1.00 73.25 H new ATOM 0 HG3 GLU A 611 10.526 -20.764 -6.812 1.00 73.25 H new ATOM 1715 N TYR A 612 8.242 -17.274 -6.205 1.00 63.03 N ATOM 1716 CA TYR A 612 8.478 -16.067 -6.928 1.00 62.31 C ATOM 1717 C TYR A 612 8.823 -15.044 -5.905 1.00 30.33 C ATOM 1718 O TYR A 612 7.968 -14.360 -5.338 1.00 52.14 O ATOM 1719 CB TYR A 612 7.299 -15.688 -7.825 1.00 23.32 C ATOM 1720 CG TYR A 612 7.112 -16.704 -8.924 1.00 71.04 C ATOM 1721 CD1 TYR A 612 7.921 -16.672 -10.044 1.00 53.03 C ATOM 1722 CD2 TYR A 612 6.166 -17.713 -8.828 1.00 65.43 C ATOM 1723 CE1 TYR A 612 7.801 -17.610 -11.043 1.00 61.14 C ATOM 1724 CE2 TYR A 612 6.034 -18.652 -9.826 1.00 45.11 C ATOM 1725 CZ TYR A 612 6.857 -18.595 -10.933 1.00 24.15 C ATOM 1726 OH TYR A 612 6.746 -19.549 -11.926 1.00 13.25 O ATOM 0 H TYR A 612 7.464 -17.215 -5.547 1.00 63.03 H new ATOM 0 HA TYR A 612 9.299 -16.171 -7.637 1.00 62.31 H new ATOM 0 HB2 TYR A 612 6.390 -15.620 -7.228 1.00 23.32 H new ATOM 0 HB3 TYR A 612 7.469 -14.703 -8.260 1.00 23.32 H new ATOM 0 HD1 TYR A 612 8.664 -15.893 -10.137 1.00 53.03 H new ATOM 0 HD2 TYR A 612 5.525 -17.763 -7.960 1.00 65.43 H new ATOM 0 HE1 TYR A 612 8.447 -17.570 -11.908 1.00 61.14 H new ATOM 0 HE2 TYR A 612 5.290 -19.430 -9.743 1.00 45.11 H new ATOM 0 HH TYR A 612 6.030 -20.177 -11.697 1.00 13.25 H new ATOM 1736 N ASP A 613 10.080 -15.059 -5.586 1.00 41.54 N ATOM 1737 CA ASP A 613 10.645 -14.336 -4.471 1.00 70.34 C ATOM 1738 C ASP A 613 11.806 -13.489 -5.001 1.00 65.20 C ATOM 1739 O ASP A 613 12.678 -13.031 -4.268 1.00 42.04 O ATOM 1740 CB ASP A 613 11.144 -15.426 -3.487 1.00 75.03 C ATOM 1741 CG ASP A 613 11.632 -14.936 -2.152 1.00 44.22 C ATOM 1742 OD1 ASP A 613 10.831 -14.856 -1.204 1.00 13.01 O ATOM 1743 OD2 ASP A 613 12.841 -14.678 -2.004 1.00 51.01 O ATOM 0 H ASP A 613 10.773 -15.593 -6.110 1.00 41.54 H new ATOM 0 HA ASP A 613 9.939 -13.669 -3.975 1.00 70.34 H new ATOM 0 HB2 ASP A 613 10.332 -16.133 -3.317 1.00 75.03 H new ATOM 0 HB3 ASP A 613 11.952 -15.978 -3.967 1.00 75.03 H new ATOM 1748 N ASP A 614 11.753 -13.224 -6.289 1.00 30.31 N ATOM 1749 CA ASP A 614 12.862 -12.574 -7.003 1.00 40.13 C ATOM 1750 C ASP A 614 12.675 -11.069 -7.091 1.00 33.20 C ATOM 1751 O ASP A 614 13.505 -10.349 -7.644 1.00 13.33 O ATOM 1752 CB ASP A 614 13.028 -13.218 -8.386 1.00 14.41 C ATOM 1753 CG ASP A 614 14.239 -12.759 -9.157 1.00 72.41 C ATOM 1754 OD1 ASP A 614 15.368 -13.077 -8.752 1.00 43.03 O ATOM 1755 OD2 ASP A 614 14.082 -12.133 -10.225 1.00 21.44 O ATOM 0 H ASP A 614 10.951 -13.446 -6.879 1.00 30.31 H new ATOM 0 HA ASP A 614 13.781 -12.728 -6.437 1.00 40.13 H new ATOM 0 HB2 ASP A 614 13.082 -14.300 -8.263 1.00 14.41 H new ATOM 0 HB3 ASP A 614 12.137 -13.008 -8.978 1.00 14.41 H new ATOM 1760 N LYS A 615 11.617 -10.629 -6.475 1.00 74.41 N ATOM 1761 CA LYS A 615 11.197 -9.238 -6.420 1.00 52.22 C ATOM 1762 C LYS A 615 11.130 -8.598 -7.801 1.00 41.14 C ATOM 1763 O LYS A 615 11.987 -7.792 -8.195 1.00 12.53 O ATOM 1764 CB LYS A 615 12.036 -8.420 -5.433 1.00 24.53 C ATOM 1765 CG LYS A 615 11.938 -8.903 -3.987 1.00 33.11 C ATOM 1766 CD LYS A 615 10.531 -8.752 -3.433 1.00 52.03 C ATOM 1767 CE LYS A 615 10.396 -9.359 -2.044 1.00 61.13 C ATOM 1768 NZ LYS A 615 11.289 -8.733 -1.040 1.00 71.24 N ATOM 0 H LYS A 615 10.986 -11.251 -5.970 1.00 74.41 H new ATOM 0 HA LYS A 615 10.178 -9.235 -6.034 1.00 52.22 H new ATOM 0 HB2 LYS A 615 13.080 -8.451 -5.746 1.00 24.53 H new ATOM 0 HB3 LYS A 615 11.720 -7.378 -5.480 1.00 24.53 H new ATOM 0 HG2 LYS A 615 12.239 -9.949 -3.933 1.00 33.11 H new ATOM 0 HG3 LYS A 615 12.635 -8.338 -3.368 1.00 33.11 H new ATOM 0 HD2 LYS A 615 10.269 -7.695 -3.393 1.00 52.03 H new ATOM 0 HD3 LYS A 615 9.822 -9.231 -4.108 1.00 52.03 H new ATOM 0 HE2 LYS A 615 9.363 -9.261 -1.712 1.00 61.13 H new ATOM 0 HE3 LYS A 615 10.614 -10.426 -2.099 1.00 61.13 H new ATOM 0 HZ1 LYS A 615 11.089 -9.132 -0.101 1.00 71.24 H new ATOM 0 HZ2 LYS A 615 12.280 -8.921 -1.292 1.00 71.24 H new ATOM 0 HZ3 LYS A 615 11.125 -7.706 -1.022 1.00 71.24 H new ATOM 1782 N GLN A 616 10.150 -8.992 -8.527 1.00 53.51 N ATOM 1783 CA GLN A 616 9.908 -8.526 -9.856 1.00 74.41 C ATOM 1784 C GLN A 616 8.687 -7.622 -9.838 1.00 13.50 C ATOM 1785 O GLN A 616 8.064 -7.463 -8.788 1.00 21.21 O ATOM 1786 CB GLN A 616 9.673 -9.746 -10.758 1.00 62.24 C ATOM 1787 CG GLN A 616 10.923 -10.567 -11.020 1.00 12.11 C ATOM 1788 CD GLN A 616 11.945 -9.802 -11.834 1.00 64.33 C ATOM 1789 OE1 GLN A 616 11.601 -8.937 -12.647 1.00 0.25 O ATOM 1790 NE2 GLN A 616 13.188 -10.101 -11.654 1.00 43.50 N ATOM 0 H GLN A 616 9.463 -9.675 -8.206 1.00 53.51 H new ATOM 0 HA GLN A 616 10.757 -7.959 -10.238 1.00 74.41 H new ATOM 0 HB2 GLN A 616 8.920 -10.386 -10.298 1.00 62.24 H new ATOM 0 HB3 GLN A 616 9.266 -9.408 -11.711 1.00 62.24 H new ATOM 0 HG2 GLN A 616 11.366 -10.865 -10.070 1.00 12.11 H new ATOM 0 HG3 GLN A 616 10.652 -11.482 -11.547 1.00 12.11 H new ATOM 0 HE21 GLN A 616 13.447 -10.819 -10.977 1.00 43.50 H new ATOM 0 HE22 GLN A 616 13.911 -9.620 -12.189 1.00 43.50 H new ATOM 1799 N PRO A 617 8.373 -6.918 -10.939 1.00 64.31 N ATOM 1800 CA PRO A 617 7.120 -6.188 -11.031 1.00 32.21 C ATOM 1801 C PRO A 617 5.962 -7.175 -11.034 1.00 11.01 C ATOM 1802 O PRO A 617 6.161 -8.372 -11.302 1.00 71.40 O ATOM 1803 CB PRO A 617 7.201 -5.468 -12.377 1.00 52.42 C ATOM 1804 CG PRO A 617 8.258 -6.183 -13.143 1.00 34.44 C ATOM 1805 CD PRO A 617 9.218 -6.720 -12.129 1.00 3.11 C ATOM 0 HA PRO A 617 6.964 -5.499 -10.201 1.00 32.21 H new ATOM 0 HB2 PRO A 617 6.245 -5.503 -12.900 1.00 52.42 H new ATOM 0 HB3 PRO A 617 7.454 -4.416 -12.246 1.00 52.42 H new ATOM 0 HG2 PRO A 617 7.829 -6.989 -13.738 1.00 34.44 H new ATOM 0 HG3 PRO A 617 8.761 -5.508 -13.836 1.00 34.44 H new ATOM 0 HD2 PRO A 617 9.673 -7.654 -12.460 1.00 3.11 H new ATOM 0 HD3 PRO A 617 10.031 -6.021 -11.934 1.00 3.11 H new ATOM 1813 N LEU A 618 4.780 -6.694 -10.762 1.00 12.20 N ATOM 1814 CA LEU A 618 3.621 -7.546 -10.701 1.00 71.21 C ATOM 1815 C LEU A 618 3.373 -8.237 -12.030 1.00 45.34 C ATOM 1816 O LEU A 618 3.489 -7.635 -13.104 1.00 32.33 O ATOM 1817 CB LEU A 618 2.384 -6.831 -10.134 1.00 21.22 C ATOM 1818 CG LEU A 618 2.325 -6.656 -8.587 1.00 63.44 C ATOM 1819 CD1 LEU A 618 2.338 -8.007 -7.894 1.00 72.31 C ATOM 1820 CD2 LEU A 618 3.476 -5.809 -8.061 1.00 63.22 C ATOM 0 H LEU A 618 4.592 -5.709 -10.577 1.00 12.20 H new ATOM 0 HA LEU A 618 3.835 -8.336 -9.981 1.00 71.21 H new ATOM 0 HB2 LEU A 618 2.323 -5.843 -10.591 1.00 21.22 H new ATOM 0 HB3 LEU A 618 1.498 -7.383 -10.448 1.00 21.22 H new ATOM 0 HG LEU A 618 1.392 -6.138 -8.365 1.00 63.44 H new ATOM 0 HD11 LEU A 618 2.296 -7.863 -6.814 1.00 72.31 H new ATOM 0 HD12 LEU A 618 1.475 -8.589 -8.216 1.00 72.31 H new ATOM 0 HD13 LEU A 618 3.253 -8.540 -8.154 1.00 72.31 H new ATOM 0 HD21 LEU A 618 3.393 -5.715 -6.978 1.00 63.22 H new ATOM 0 HD22 LEU A 618 4.423 -6.286 -8.312 1.00 63.22 H new ATOM 0 HD23 LEU A 618 3.437 -4.819 -8.516 1.00 63.22 H new ATOM 1832 N THR A 619 3.051 -9.491 -11.935 1.00 72.41 N ATOM 1833 CA THR A 619 3.011 -10.410 -13.041 1.00 53.31 C ATOM 1834 C THR A 619 1.941 -10.149 -14.110 1.00 60.20 C ATOM 1835 O THR A 619 1.986 -10.765 -15.171 1.00 21.30 O ATOM 1836 CB THR A 619 2.883 -11.830 -12.483 1.00 14.41 C ATOM 1837 OG1 THR A 619 1.830 -11.855 -11.487 1.00 20.14 O ATOM 1838 CG2 THR A 619 4.187 -12.252 -11.819 1.00 63.31 C ATOM 0 H THR A 619 2.797 -9.925 -11.047 1.00 72.41 H new ATOM 0 HA THR A 619 3.945 -10.263 -13.583 1.00 53.31 H new ATOM 0 HB THR A 619 2.653 -12.513 -13.301 1.00 14.41 H new ATOM 0 HG1 THR A 619 1.036 -11.400 -11.839 1.00 20.14 H new ATOM 0 HG21 THR A 619 4.084 -13.263 -11.426 1.00 63.31 H new ATOM 0 HG22 THR A 619 4.993 -12.228 -12.552 1.00 63.31 H new ATOM 0 HG23 THR A 619 4.418 -11.567 -11.003 1.00 63.31 H new ATOM 1846 N SER A 620 1.022 -9.240 -13.869 1.00 42.04 N ATOM 1847 CA SER A 620 -0.071 -9.020 -14.796 1.00 25.21 C ATOM 1848 C SER A 620 0.322 -8.285 -16.075 1.00 54.41 C ATOM 1849 O SER A 620 0.143 -7.069 -16.206 1.00 60.33 O ATOM 1850 CB SER A 620 -1.252 -8.385 -14.099 1.00 63.34 C ATOM 1851 OG SER A 620 -0.824 -7.309 -13.248 1.00 31.02 O ATOM 0 H SER A 620 1.008 -8.642 -13.043 1.00 42.04 H new ATOM 0 HA SER A 620 -0.374 -10.008 -15.142 1.00 25.21 H new ATOM 0 HB2 SER A 620 -1.959 -8.010 -14.839 1.00 63.34 H new ATOM 0 HB3 SER A 620 -1.778 -9.135 -13.508 1.00 63.34 H new ATOM 0 HG SER A 620 -1.603 -6.910 -12.808 1.00 31.02 H new ATOM 1857 N LYS A 621 0.921 -9.025 -16.966 1.00 41.44 N ATOM 1858 CA LYS A 621 1.266 -8.561 -18.274 1.00 5.42 C ATOM 1859 C LYS A 621 0.061 -8.766 -19.184 1.00 71.22 C ATOM 1860 O LYS A 621 -0.356 -7.857 -19.899 1.00 24.11 O ATOM 1861 CB LYS A 621 2.489 -9.333 -18.774 1.00 40.41 C ATOM 1862 CG LYS A 621 2.865 -9.073 -20.216 1.00 14.02 C ATOM 1863 CD LYS A 621 4.080 -9.891 -20.610 1.00 64.40 C ATOM 1864 CE LYS A 621 4.271 -9.911 -22.110 1.00 11.42 C ATOM 1865 NZ LYS A 621 3.091 -10.493 -22.787 1.00 42.22 N ATOM 0 H LYS A 621 1.189 -9.994 -16.794 1.00 41.44 H new ATOM 0 HA LYS A 621 1.522 -7.502 -18.264 1.00 5.42 H new ATOM 0 HB2 LYS A 621 3.341 -9.083 -18.142 1.00 40.41 H new ATOM 0 HB3 LYS A 621 2.302 -10.400 -18.650 1.00 40.41 H new ATOM 0 HG2 LYS A 621 2.026 -9.322 -20.866 1.00 14.02 H new ATOM 0 HG3 LYS A 621 3.073 -8.012 -20.357 1.00 14.02 H new ATOM 0 HD2 LYS A 621 4.969 -9.477 -20.134 1.00 64.40 H new ATOM 0 HD3 LYS A 621 3.968 -10.911 -20.243 1.00 64.40 H new ATOM 0 HE2 LYS A 621 4.439 -8.897 -22.472 1.00 11.42 H new ATOM 0 HE3 LYS A 621 5.160 -10.490 -22.359 1.00 11.42 H new ATOM 0 HZ1 LYS A 621 3.366 -10.839 -23.728 1.00 42.22 H new ATOM 0 HZ2 LYS A 621 2.721 -11.284 -22.222 1.00 42.22 H new ATOM 0 HZ3 LYS A 621 2.355 -9.766 -22.888 1.00 42.22 H new ATOM 1879 N GLU A 622 -0.486 -9.963 -19.146 1.00 42.33 N ATOM 1880 CA GLU A 622 -1.683 -10.284 -19.875 1.00 31.41 C ATOM 1881 C GLU A 622 -2.814 -10.313 -18.876 1.00 25.41 C ATOM 1882 O GLU A 622 -2.600 -10.651 -17.724 1.00 41.20 O ATOM 1883 CB GLU A 622 -1.628 -11.702 -20.518 1.00 23.20 C ATOM 1884 CG GLU A 622 -0.393 -12.057 -21.349 1.00 45.22 C ATOM 1885 CD GLU A 622 0.842 -12.309 -20.513 1.00 42.13 C ATOM 1886 OE1 GLU A 622 0.714 -12.497 -19.292 1.00 73.23 O ATOM 1887 OE2 GLU A 622 1.964 -12.300 -21.061 1.00 30.34 O ATOM 0 H GLU A 622 -0.107 -10.740 -18.605 1.00 42.33 H new ATOM 0 HA GLU A 622 -1.807 -9.545 -20.666 1.00 31.41 H new ATOM 0 HB2 GLU A 622 -1.717 -12.437 -19.718 1.00 23.20 H new ATOM 0 HB3 GLU A 622 -2.505 -11.816 -21.155 1.00 23.20 H new ATOM 0 HG2 GLU A 622 -0.607 -12.945 -21.944 1.00 45.22 H new ATOM 0 HG3 GLU A 622 -0.190 -11.246 -22.049 1.00 45.22 H new ATOM 1894 N GLU A 623 -3.992 -9.967 -19.278 1.00 62.01 N ATOM 1895 CA GLU A 623 -5.113 -10.162 -18.399 1.00 75.21 C ATOM 1896 C GLU A 623 -5.721 -11.520 -18.720 1.00 23.54 C ATOM 1897 O GLU A 623 -6.166 -12.250 -17.840 1.00 50.22 O ATOM 1898 CB GLU A 623 -6.158 -9.051 -18.530 1.00 61.33 C ATOM 1899 CG GLU A 623 -7.298 -9.205 -17.533 1.00 12.35 C ATOM 1900 CD GLU A 623 -8.342 -8.135 -17.635 1.00 24.05 C ATOM 1901 OE1 GLU A 623 -9.313 -8.310 -18.379 1.00 12.22 O ATOM 1902 OE2 GLU A 623 -8.221 -7.113 -16.939 1.00 2.43 O ATOM 0 H GLU A 623 -4.208 -9.557 -20.186 1.00 62.01 H new ATOM 0 HA GLU A 623 -4.769 -10.127 -17.365 1.00 75.21 H new ATOM 0 HB2 GLU A 623 -5.677 -8.084 -18.381 1.00 61.33 H new ATOM 0 HB3 GLU A 623 -6.562 -9.053 -19.542 1.00 61.33 H new ATOM 0 HG2 GLU A 623 -7.771 -10.176 -17.683 1.00 12.35 H new ATOM 0 HG3 GLU A 623 -6.887 -9.203 -16.523 1.00 12.35 H new ATOM 1909 N GLU A 624 -5.651 -11.870 -19.989 1.00 44.51 N ATOM 1910 CA GLU A 624 -6.200 -13.112 -20.517 1.00 64.40 C ATOM 1911 C GLU A 624 -5.597 -14.348 -19.852 1.00 40.11 C ATOM 1912 O GLU A 624 -6.279 -15.075 -19.118 1.00 62.02 O ATOM 1913 CB GLU A 624 -5.929 -13.187 -22.007 1.00 43.53 C ATOM 1914 CG GLU A 624 -6.584 -12.104 -22.820 1.00 20.45 C ATOM 1915 CD GLU A 624 -5.998 -12.040 -24.190 1.00 21.21 C ATOM 1916 OE1 GLU A 624 -6.448 -12.776 -25.090 1.00 31.43 O ATOM 1917 OE2 GLU A 624 -5.026 -11.285 -24.384 1.00 3.02 O ATOM 0 H GLU A 624 -5.203 -11.291 -20.699 1.00 44.51 H new ATOM 0 HA GLU A 624 -7.270 -13.105 -20.309 1.00 64.40 H new ATOM 0 HB2 GLU A 624 -4.852 -13.143 -22.169 1.00 43.53 H new ATOM 0 HB3 GLU A 624 -6.268 -14.155 -22.376 1.00 43.53 H new ATOM 0 HG2 GLU A 624 -7.656 -12.291 -22.887 1.00 20.45 H new ATOM 0 HG3 GLU A 624 -6.459 -11.143 -22.321 1.00 20.45 H new ATOM 1924 N GLU A 625 -4.327 -14.567 -20.100 1.00 50.25 N ATOM 1925 CA GLU A 625 -3.656 -15.767 -19.652 1.00 13.51 C ATOM 1926 C GLU A 625 -3.090 -15.657 -18.252 1.00 22.51 C ATOM 1927 O GLU A 625 -3.092 -16.637 -17.509 1.00 63.11 O ATOM 1928 CB GLU A 625 -2.542 -16.143 -20.630 1.00 33.32 C ATOM 1929 CG GLU A 625 -3.033 -16.489 -22.023 1.00 42.33 C ATOM 1930 CD GLU A 625 -3.958 -17.679 -22.021 1.00 11.43 C ATOM 1931 OE1 GLU A 625 -3.468 -18.825 -22.005 1.00 62.00 O ATOM 1932 OE2 GLU A 625 -5.180 -17.491 -22.040 1.00 45.23 O ATOM 0 H GLU A 625 -3.730 -13.921 -20.617 1.00 50.25 H new ATOM 0 HA GLU A 625 -4.415 -16.548 -19.623 1.00 13.51 H new ATOM 0 HB2 GLU A 625 -1.839 -15.313 -20.700 1.00 33.32 H new ATOM 0 HB3 GLU A 625 -1.992 -16.994 -20.228 1.00 33.32 H new ATOM 0 HG2 GLU A 625 -3.551 -15.629 -22.448 1.00 42.33 H new ATOM 0 HG3 GLU A 625 -2.178 -16.696 -22.667 1.00 42.33 H new ATOM 1939 N ARG A 626 -2.639 -14.477 -17.871 1.00 11.33 N ATOM 1940 CA ARG A 626 -1.913 -14.331 -16.620 1.00 20.23 C ATOM 1941 C ARG A 626 -2.787 -14.594 -15.398 1.00 33.25 C ATOM 1942 O ARG A 626 -2.334 -15.227 -14.457 1.00 31.44 O ATOM 1943 CB ARG A 626 -1.238 -12.980 -16.519 1.00 54.21 C ATOM 1944 CG ARG A 626 -0.188 -12.895 -15.439 1.00 44.23 C ATOM 1945 CD ARG A 626 0.985 -13.813 -15.723 1.00 13.41 C ATOM 1946 NE ARG A 626 1.623 -13.494 -17.008 1.00 11.24 N ATOM 1947 CZ ARG A 626 2.914 -13.624 -17.293 1.00 54.22 C ATOM 1948 NH1 ARG A 626 3.756 -14.159 -16.411 1.00 75.04 N ATOM 1949 NH2 ARG A 626 3.351 -13.239 -18.490 1.00 65.41 N ATOM 0 H ARG A 626 -2.759 -13.614 -18.401 1.00 11.33 H new ATOM 0 HA ARG A 626 -1.138 -15.098 -16.629 1.00 20.23 H new ATOM 0 HB2 ARG A 626 -0.777 -12.743 -17.478 1.00 54.21 H new ATOM 0 HB3 ARG A 626 -1.997 -12.220 -16.334 1.00 54.21 H new ATOM 0 HG2 ARG A 626 0.166 -11.867 -15.356 1.00 44.23 H new ATOM 0 HG3 ARG A 626 -0.632 -13.158 -14.479 1.00 44.23 H new ATOM 0 HD2 ARG A 626 1.718 -13.727 -14.921 1.00 13.41 H new ATOM 0 HD3 ARG A 626 0.644 -14.848 -15.733 1.00 13.41 H new ATOM 0 HE ARG A 626 1.019 -13.140 -17.750 1.00 11.24 H new ATOM 0 HH11 ARG A 626 3.412 -14.475 -15.504 1.00 75.04 H new ATOM 0 HH12 ARG A 626 4.745 -14.253 -16.642 1.00 75.04 H new ATOM 0 HH21 ARG A 626 2.698 -12.852 -19.171 1.00 65.41 H new ATOM 0 HH22 ARG A 626 4.339 -13.331 -18.726 1.00 65.41 H new ATOM 1963 N ARG A 627 -4.056 -14.168 -15.451 1.00 72.55 N ATOM 1964 CA ARG A 627 -5.009 -14.357 -14.329 1.00 51.02 C ATOM 1965 C ARG A 627 -5.145 -15.812 -13.910 1.00 62.44 C ATOM 1966 O ARG A 627 -5.424 -16.115 -12.760 1.00 10.31 O ATOM 1967 CB ARG A 627 -6.382 -13.830 -14.676 1.00 2.51 C ATOM 1968 CG ARG A 627 -6.510 -12.335 -14.654 1.00 13.12 C ATOM 1969 CD ARG A 627 -7.946 -11.938 -14.884 1.00 62.34 C ATOM 1970 NE ARG A 627 -8.401 -12.163 -16.258 1.00 41.13 N ATOM 1971 CZ ARG A 627 -9.684 -12.140 -16.649 1.00 54.40 C ATOM 1972 NH1 ARG A 627 -10.662 -12.006 -15.746 1.00 25.22 N ATOM 1973 NH2 ARG A 627 -9.990 -12.257 -17.937 1.00 22.51 N ATOM 0 H ARG A 627 -4.455 -13.688 -16.258 1.00 72.55 H new ATOM 0 HA ARG A 627 -4.591 -13.792 -13.496 1.00 51.02 H new ATOM 0 HB2 ARG A 627 -6.652 -14.188 -15.669 1.00 2.51 H new ATOM 0 HB3 ARG A 627 -7.104 -14.252 -13.977 1.00 2.51 H new ATOM 0 HG2 ARG A 627 -6.165 -11.946 -13.696 1.00 13.12 H new ATOM 0 HG3 ARG A 627 -5.875 -11.896 -15.423 1.00 13.12 H new ATOM 0 HD2 ARG A 627 -8.584 -12.500 -14.202 1.00 62.34 H new ATOM 0 HD3 ARG A 627 -8.067 -10.883 -14.638 1.00 62.34 H new ATOM 0 HE ARG A 627 -7.692 -12.350 -16.967 1.00 41.13 H new ATOM 0 HH11 ARG A 627 -10.434 -11.921 -14.756 1.00 25.22 H new ATOM 0 HH12 ARG A 627 -11.636 -11.989 -16.048 1.00 25.22 H new ATOM 0 HH21 ARG A 627 -9.249 -12.364 -18.630 1.00 22.51 H new ATOM 0 HH22 ARG A 627 -10.966 -12.239 -18.233 1.00 22.51 H new ATOM 1987 N ILE A 628 -4.935 -16.687 -14.851 1.00 3.05 N ATOM 1988 CA ILE A 628 -5.010 -18.109 -14.638 1.00 34.53 C ATOM 1989 C ILE A 628 -3.918 -18.560 -13.666 1.00 41.25 C ATOM 1990 O ILE A 628 -4.135 -19.413 -12.815 1.00 12.55 O ATOM 1991 CB ILE A 628 -4.870 -18.818 -15.988 1.00 64.23 C ATOM 1992 CG1 ILE A 628 -6.037 -18.390 -16.895 1.00 23.31 C ATOM 1993 CG2 ILE A 628 -4.818 -20.333 -15.808 1.00 45.24 C ATOM 1994 CD1 ILE A 628 -5.899 -18.838 -18.327 1.00 12.10 C ATOM 0 H ILE A 628 -4.702 -16.429 -15.810 1.00 3.05 H new ATOM 0 HA ILE A 628 -5.972 -18.367 -14.196 1.00 34.53 H new ATOM 0 HB ILE A 628 -3.931 -18.529 -16.460 1.00 64.23 H new ATOM 0 HG12 ILE A 628 -6.965 -18.791 -16.488 1.00 23.31 H new ATOM 0 HG13 ILE A 628 -6.122 -17.304 -16.872 1.00 23.31 H new ATOM 0 HG21 ILE A 628 -4.718 -20.812 -16.782 1.00 45.24 H new ATOM 0 HG22 ILE A 628 -3.963 -20.596 -15.185 1.00 45.24 H new ATOM 0 HG23 ILE A 628 -5.735 -20.674 -15.328 1.00 45.24 H new ATOM 0 HD11 ILE A 628 -6.761 -18.497 -18.900 1.00 12.10 H new ATOM 0 HD12 ILE A 628 -4.989 -18.416 -18.754 1.00 12.10 H new ATOM 0 HD13 ILE A 628 -5.846 -19.926 -18.364 1.00 12.10 H new ATOM 2006 N ALA A 629 -2.769 -17.947 -13.773 1.00 2.41 N ATOM 2007 CA ALA A 629 -1.673 -18.251 -12.890 1.00 2.25 C ATOM 2008 C ALA A 629 -1.792 -17.411 -11.618 1.00 74.24 C ATOM 2009 O ALA A 629 -1.420 -17.846 -10.526 1.00 63.43 O ATOM 2010 CB ALA A 629 -0.341 -17.990 -13.579 1.00 64.22 C ATOM 0 H ALA A 629 -2.567 -17.229 -14.468 1.00 2.41 H new ATOM 0 HA ALA A 629 -1.714 -19.307 -12.625 1.00 2.25 H new ATOM 0 HB1 ALA A 629 0.475 -18.226 -12.895 1.00 64.22 H new ATOM 0 HB2 ALA A 629 -0.262 -18.616 -14.468 1.00 64.22 H new ATOM 0 HB3 ALA A 629 -0.280 -16.941 -13.868 1.00 64.22 H new ATOM 2016 N GLU A 630 -2.367 -16.222 -11.765 1.00 21.14 N ATOM 2017 CA GLU A 630 -2.513 -15.282 -10.654 1.00 11.12 C ATOM 2018 C GLU A 630 -3.702 -15.621 -9.759 1.00 13.21 C ATOM 2019 O GLU A 630 -4.012 -14.875 -8.850 1.00 30.33 O ATOM 2020 CB GLU A 630 -2.654 -13.834 -11.147 1.00 43.04 C ATOM 2021 CG GLU A 630 -1.532 -13.364 -12.046 1.00 31.14 C ATOM 2022 CD GLU A 630 -1.615 -11.887 -12.378 1.00 21.34 C ATOM 2023 OE1 GLU A 630 -2.681 -11.410 -12.836 1.00 42.12 O ATOM 2024 OE2 GLU A 630 -0.606 -11.175 -12.193 1.00 5.25 O ATOM 0 H GLU A 630 -2.743 -15.882 -12.650 1.00 21.14 H new ATOM 0 HA GLU A 630 -1.599 -15.374 -10.068 1.00 11.12 H new ATOM 0 HB2 GLU A 630 -3.597 -13.737 -11.684 1.00 43.04 H new ATOM 0 HB3 GLU A 630 -2.710 -13.173 -10.282 1.00 43.04 H new ATOM 0 HG2 GLU A 630 -0.577 -13.568 -11.562 1.00 31.14 H new ATOM 0 HG3 GLU A 630 -1.550 -13.940 -12.971 1.00 31.14 H new ATOM 2031 N MET A 631 -4.403 -16.698 -10.035 1.00 61.44 N ATOM 2032 CA MET A 631 -5.472 -17.102 -9.129 1.00 70.20 C ATOM 2033 C MET A 631 -4.886 -17.950 -8.010 1.00 55.01 C ATOM 2034 O MET A 631 -5.372 -17.938 -6.873 1.00 2.32 O ATOM 2035 CB MET A 631 -6.635 -17.837 -9.842 1.00 41.44 C ATOM 2036 CG MET A 631 -6.259 -19.143 -10.522 1.00 65.05 C ATOM 2037 SD MET A 631 -7.681 -20.057 -11.180 1.00 13.41 S ATOM 2038 CE MET A 631 -8.395 -18.855 -12.297 1.00 71.41 C ATOM 0 H MET A 631 -4.265 -17.297 -10.849 1.00 61.44 H new ATOM 0 HA MET A 631 -5.913 -16.196 -8.714 1.00 70.20 H new ATOM 0 HB2 MET A 631 -7.417 -18.040 -9.111 1.00 41.44 H new ATOM 0 HB3 MET A 631 -7.062 -17.168 -10.589 1.00 41.44 H new ATOM 0 HG2 MET A 631 -5.565 -18.932 -11.336 1.00 65.05 H new ATOM 0 HG3 MET A 631 -5.730 -19.775 -9.808 1.00 65.05 H new ATOM 0 HE1 MET A 631 -8.777 -19.363 -13.182 1.00 71.41 H new ATOM 0 HE2 MET A 631 -9.211 -18.333 -11.797 1.00 71.41 H new ATOM 0 HE3 MET A 631 -7.632 -18.135 -12.593 1.00 71.41 H new ATOM 2048 N GLY A 632 -3.827 -18.669 -8.335 1.00 52.34 N ATOM 2049 CA GLY A 632 -3.148 -19.474 -7.366 1.00 32.13 C ATOM 2050 C GLY A 632 -2.019 -18.712 -6.729 1.00 30.45 C ATOM 2051 O GLY A 632 -1.812 -18.789 -5.514 1.00 72.23 O ATOM 0 H GLY A 632 -3.425 -18.704 -9.272 1.00 52.34 H new ATOM 0 HA2 GLY A 632 -3.852 -19.797 -6.599 1.00 32.13 H new ATOM 0 HA3 GLY A 632 -2.761 -20.374 -7.843 1.00 32.13 H new ATOM 2055 N ARG A 633 -1.305 -17.962 -7.538 1.00 41.40 N ATOM 2056 CA ARG A 633 -0.190 -17.157 -7.069 1.00 61.44 C ATOM 2057 C ARG A 633 -0.714 -15.789 -6.653 1.00 42.01 C ATOM 2058 O ARG A 633 -1.564 -15.236 -7.328 1.00 72.04 O ATOM 2059 CB ARG A 633 0.851 -17.025 -8.182 1.00 30.15 C ATOM 2060 CG ARG A 633 1.376 -18.367 -8.654 1.00 64.34 C ATOM 2061 CD ARG A 633 2.294 -18.232 -9.845 1.00 42.12 C ATOM 2062 NE ARG A 633 2.746 -19.544 -10.315 1.00 34.44 N ATOM 2063 CZ ARG A 633 3.261 -19.801 -11.515 1.00 24.24 C ATOM 2064 NH1 ARG A 633 3.484 -18.819 -12.383 1.00 20.40 N ATOM 2065 NH2 ARG A 633 3.581 -21.039 -11.827 1.00 23.41 N ATOM 0 H ARG A 633 -1.478 -17.890 -8.541 1.00 41.40 H new ATOM 0 HA ARG A 633 0.286 -17.632 -6.211 1.00 61.44 H new ATOM 0 HB2 ARG A 633 0.409 -16.495 -9.026 1.00 30.15 H new ATOM 0 HB3 ARG A 633 1.684 -16.419 -7.825 1.00 30.15 H new ATOM 0 HG2 ARG A 633 1.911 -18.854 -7.838 1.00 64.34 H new ATOM 0 HG3 ARG A 633 0.537 -19.012 -8.915 1.00 64.34 H new ATOM 0 HD2 ARG A 633 1.775 -17.713 -10.651 1.00 42.12 H new ATOM 0 HD3 ARG A 633 3.156 -17.622 -9.576 1.00 42.12 H new ATOM 0 HE ARG A 633 2.659 -20.327 -9.667 1.00 34.44 H new ATOM 0 HH11 ARG A 633 3.260 -17.856 -12.132 1.00 20.40 H new ATOM 0 HH12 ARG A 633 3.879 -19.029 -13.300 1.00 20.40 H new ATOM 0 HH21 ARG A 633 3.434 -21.789 -11.152 1.00 23.41 H new ATOM 0 HH22 ARG A 633 3.976 -21.248 -12.744 1.00 23.41 H new ATOM 2079 N PRO A 634 -0.228 -15.228 -5.540 1.00 22.25 N ATOM 2080 CA PRO A 634 -0.739 -13.967 -5.013 1.00 13.31 C ATOM 2081 C PRO A 634 -0.288 -12.749 -5.822 1.00 12.24 C ATOM 2082 O PRO A 634 0.770 -12.760 -6.462 1.00 2.44 O ATOM 2083 CB PRO A 634 -0.176 -13.924 -3.604 1.00 34.43 C ATOM 2084 CG PRO A 634 1.120 -14.651 -3.713 1.00 53.22 C ATOM 2085 CD PRO A 634 0.880 -15.751 -4.719 1.00 60.30 C ATOM 0 HA PRO A 634 -1.827 -13.924 -5.054 1.00 13.31 H new ATOM 0 HB2 PRO A 634 -0.031 -12.899 -3.263 1.00 34.43 H new ATOM 0 HB3 PRO A 634 -0.846 -14.406 -2.891 1.00 34.43 H new ATOM 0 HG2 PRO A 634 1.918 -13.985 -4.042 1.00 53.22 H new ATOM 0 HG3 PRO A 634 1.423 -15.060 -2.749 1.00 53.22 H new ATOM 0 HD2 PRO A 634 1.768 -15.946 -5.320 1.00 60.30 H new ATOM 0 HD3 PRO A 634 0.612 -16.689 -4.233 1.00 60.30 H new ATOM 2093 N ILE A 635 -1.085 -11.704 -5.757 1.00 10.32 N ATOM 2094 CA ILE A 635 -0.870 -10.485 -6.508 1.00 52.25 C ATOM 2095 C ILE A 635 -1.289 -9.263 -5.690 1.00 63.12 C ATOM 2096 O ILE A 635 -1.528 -9.389 -4.494 1.00 75.43 O ATOM 2097 CB ILE A 635 -1.577 -10.532 -7.912 1.00 60.43 C ATOM 2098 CG1 ILE A 635 -2.987 -11.198 -7.872 1.00 12.40 C ATOM 2099 CG2 ILE A 635 -0.697 -11.248 -8.914 1.00 22.20 C ATOM 2100 CD1 ILE A 635 -4.053 -10.476 -7.070 1.00 55.32 C ATOM 0 H ILE A 635 -1.918 -11.677 -5.169 1.00 10.32 H new ATOM 0 HA ILE A 635 0.198 -10.396 -6.705 1.00 52.25 H new ATOM 0 HB ILE A 635 -1.728 -9.497 -8.217 1.00 60.43 H new ATOM 0 HG12 ILE A 635 -3.344 -11.304 -8.897 1.00 12.40 H new ATOM 0 HG13 ILE A 635 -2.878 -12.204 -7.467 1.00 12.40 H new ATOM 0 HG21 ILE A 635 -1.196 -11.275 -9.883 1.00 22.20 H new ATOM 0 HG22 ILE A 635 0.251 -10.719 -9.009 1.00 22.20 H new ATOM 0 HG23 ILE A 635 -0.512 -12.267 -8.573 1.00 22.20 H new ATOM 0 HD11 ILE A 635 -4.987 -11.036 -7.119 1.00 55.32 H new ATOM 0 HD12 ILE A 635 -3.733 -10.393 -6.031 1.00 55.32 H new ATOM 0 HD13 ILE A 635 -4.206 -9.479 -7.483 1.00 55.32 H new ATOM 2112 N LEU A 636 -1.344 -8.100 -6.319 1.00 10.52 N ATOM 2113 CA LEU A 636 -1.715 -6.866 -5.630 1.00 4.42 C ATOM 2114 C LEU A 636 -3.240 -6.727 -5.555 1.00 30.33 C ATOM 2115 O LEU A 636 -3.960 -7.403 -6.277 1.00 24.44 O ATOM 2116 CB LEU A 636 -1.023 -5.598 -6.273 1.00 31.52 C ATOM 2117 CG LEU A 636 -1.466 -5.075 -7.690 1.00 15.32 C ATOM 2118 CD1 LEU A 636 -1.589 -6.171 -8.729 1.00 25.02 C ATOM 2119 CD2 LEU A 636 -2.723 -4.210 -7.631 1.00 73.32 C ATOM 0 H LEU A 636 -1.136 -7.981 -7.310 1.00 10.52 H new ATOM 0 HA LEU A 636 -1.341 -6.925 -4.608 1.00 4.42 H new ATOM 0 HB2 LEU A 636 -1.150 -4.773 -5.572 1.00 31.52 H new ATOM 0 HB3 LEU A 636 0.045 -5.808 -6.328 1.00 31.52 H new ATOM 0 HG LEU A 636 -0.649 -4.434 -8.022 1.00 15.32 H new ATOM 0 HD11 LEU A 636 -1.898 -5.738 -9.680 1.00 25.02 H new ATOM 0 HD12 LEU A 636 -0.626 -6.666 -8.851 1.00 25.02 H new ATOM 0 HD13 LEU A 636 -2.332 -6.899 -8.404 1.00 25.02 H new ATOM 0 HD21 LEU A 636 -2.983 -3.877 -8.636 1.00 73.32 H new ATOM 0 HD22 LEU A 636 -3.546 -4.792 -7.217 1.00 73.32 H new ATOM 0 HD23 LEU A 636 -2.538 -3.342 -6.998 1.00 73.32 H new ATOM 2131 N GLY A 637 -3.709 -5.849 -4.696 1.00 63.52 N ATOM 2132 CA GLY A 637 -5.131 -5.671 -4.504 1.00 71.45 C ATOM 2133 C GLY A 637 -5.779 -4.798 -5.544 1.00 4.42 C ATOM 2134 O GLY A 637 -6.319 -5.292 -6.523 1.00 41.10 O ATOM 0 H GLY A 637 -3.124 -5.246 -4.118 1.00 63.52 H new ATOM 0 HA2 GLY A 637 -5.614 -6.648 -4.511 1.00 71.45 H new ATOM 0 HA3 GLY A 637 -5.304 -5.237 -3.519 1.00 71.45 H new ATOM 2138 N GLU A 638 -5.741 -3.507 -5.335 1.00 10.10 N ATOM 2139 CA GLU A 638 -6.370 -2.596 -6.263 1.00 30.43 C ATOM 2140 C GLU A 638 -5.542 -1.332 -6.408 1.00 71.35 C ATOM 2141 O GLU A 638 -5.012 -1.048 -7.482 1.00 74.44 O ATOM 2142 CB GLU A 638 -7.806 -2.286 -5.817 1.00 4.25 C ATOM 2143 CG GLU A 638 -8.578 -1.400 -6.776 1.00 14.35 C ATOM 2144 CD GLU A 638 -10.013 -1.208 -6.369 1.00 25.23 C ATOM 2145 OE1 GLU A 638 -10.292 -0.353 -5.507 1.00 32.12 O ATOM 2146 OE2 GLU A 638 -10.896 -1.894 -6.926 1.00 41.45 O ATOM 0 H GLU A 638 -5.285 -3.063 -4.538 1.00 10.10 H new ATOM 0 HA GLU A 638 -6.423 -3.069 -7.244 1.00 30.43 H new ATOM 0 HB2 GLU A 638 -8.346 -3.224 -5.692 1.00 4.25 H new ATOM 0 HB3 GLU A 638 -7.775 -1.804 -4.840 1.00 4.25 H new ATOM 0 HG2 GLU A 638 -8.090 -0.427 -6.837 1.00 14.35 H new ATOM 0 HG3 GLU A 638 -8.544 -1.837 -7.774 1.00 14.35 H new ATOM 2153 N HIS A 639 -5.399 -0.586 -5.339 1.00 72.10 N ATOM 2154 CA HIS A 639 -4.608 0.611 -5.403 1.00 70.05 C ATOM 2155 C HIS A 639 -3.564 0.645 -4.316 1.00 75.43 C ATOM 2156 O HIS A 639 -3.869 0.660 -3.115 1.00 2.45 O ATOM 2157 CB HIS A 639 -5.458 1.918 -5.460 1.00 3.44 C ATOM 2158 CG HIS A 639 -6.392 2.180 -4.302 1.00 1.23 C ATOM 2159 ND1 HIS A 639 -6.154 3.122 -3.320 1.00 63.14 N ATOM 2160 CD2 HIS A 639 -7.609 1.654 -4.025 1.00 22.24 C ATOM 2161 CE1 HIS A 639 -7.204 3.141 -2.499 1.00 72.42 C ATOM 2162 NE2 HIS A 639 -8.122 2.268 -2.886 1.00 63.22 N ATOM 0 H HIS A 639 -5.814 -0.785 -4.429 1.00 72.10 H new ATOM 0 HA HIS A 639 -4.081 0.576 -6.356 1.00 70.05 H new ATOM 0 HB2 HIS A 639 -4.775 2.763 -5.542 1.00 3.44 H new ATOM 0 HB3 HIS A 639 -6.050 1.897 -6.375 1.00 3.44 H new ATOM 0 HD2 HIS A 639 -8.102 0.882 -4.596 1.00 22.24 H new ATOM 0 HE1 HIS A 639 -7.294 3.782 -1.634 1.00 72.42 H new ATOM 0 HE2 HIS A 639 -9.021 2.083 -2.441 1.00 63.22 H new ATOM 2170 N THR A 640 -2.339 0.603 -4.737 1.00 34.25 N ATOM 2171 CA THR A 640 -1.240 0.682 -3.847 1.00 24.22 C ATOM 2172 C THR A 640 -0.517 1.987 -4.049 1.00 52.13 C ATOM 2173 O THR A 640 0.347 2.116 -4.920 1.00 34.22 O ATOM 2174 CB THR A 640 -0.268 -0.527 -3.969 1.00 13.31 C ATOM 2175 OG1 THR A 640 0.985 -0.224 -3.339 1.00 52.44 O ATOM 2176 CG2 THR A 640 -0.038 -0.929 -5.418 1.00 53.32 C ATOM 0 H THR A 640 -2.079 0.512 -5.719 1.00 34.25 H new ATOM 0 HA THR A 640 -1.637 0.641 -2.833 1.00 24.22 H new ATOM 0 HB THR A 640 -0.734 -1.371 -3.462 1.00 13.31 H new ATOM 0 HG1 THR A 640 1.713 -0.345 -3.984 1.00 52.44 H new ATOM 0 HG21 THR A 640 0.646 -1.776 -5.456 1.00 53.32 H new ATOM 0 HG22 THR A 640 -0.988 -1.209 -5.873 1.00 53.32 H new ATOM 0 HG23 THR A 640 0.393 -0.090 -5.964 1.00 53.32 H new ATOM 2184 N LYS A 641 -0.909 2.948 -3.290 1.00 23.42 N ATOM 2185 CA LYS A 641 -0.319 4.243 -3.318 1.00 63.14 C ATOM 2186 C LYS A 641 -0.867 4.985 -2.141 1.00 61.15 C ATOM 2187 O LYS A 641 -2.076 5.034 -1.941 1.00 53.13 O ATOM 2188 CB LYS A 641 -0.665 4.970 -4.640 1.00 33.54 C ATOM 2189 CG LYS A 641 0.233 6.162 -5.013 1.00 62.12 C ATOM 2190 CD LYS A 641 0.059 7.368 -4.115 1.00 42.42 C ATOM 2191 CE LYS A 641 0.825 8.562 -4.663 1.00 54.04 C ATOM 2192 NZ LYS A 641 0.298 9.006 -5.973 1.00 13.31 N ATOM 0 H LYS A 641 -1.668 2.855 -2.615 1.00 23.42 H new ATOM 0 HA LYS A 641 0.768 4.182 -3.267 1.00 63.14 H new ATOM 0 HB2 LYS A 641 -0.625 4.243 -5.452 1.00 33.54 H new ATOM 0 HB3 LYS A 641 -1.695 5.322 -4.578 1.00 33.54 H new ATOM 0 HG2 LYS A 641 1.275 5.844 -4.979 1.00 62.12 H new ATOM 0 HG3 LYS A 641 0.023 6.454 -6.042 1.00 62.12 H new ATOM 0 HD2 LYS A 641 -0.999 7.616 -4.032 1.00 42.42 H new ATOM 0 HD3 LYS A 641 0.412 7.133 -3.111 1.00 42.42 H new ATOM 0 HE2 LYS A 641 0.769 9.386 -3.952 1.00 54.04 H new ATOM 0 HE3 LYS A 641 1.878 8.301 -4.766 1.00 54.04 H new ATOM 0 HZ1 LYS A 641 0.581 9.992 -6.145 1.00 13.31 H new ATOM 0 HZ2 LYS A 641 0.682 8.399 -6.725 1.00 13.31 H new ATOM 0 HZ3 LYS A 641 -0.740 8.939 -5.970 1.00 13.31 H new ATOM 2206 N LEU A 642 0.007 5.480 -1.352 1.00 64.42 N ATOM 2207 CA LEU A 642 -0.339 6.258 -0.211 1.00 72.54 C ATOM 2208 C LEU A 642 0.480 7.522 -0.234 1.00 63.44 C ATOM 2209 O LEU A 642 1.695 7.469 -0.089 1.00 13.22 O ATOM 2210 CB LEU A 642 -0.018 5.490 1.053 1.00 22.30 C ATOM 2211 CG LEU A 642 -0.325 6.203 2.355 1.00 42.14 C ATOM 2212 CD1 LEU A 642 -1.815 6.280 2.603 1.00 32.35 C ATOM 2213 CD2 LEU A 642 0.389 5.548 3.502 1.00 64.14 C ATOM 0 H LEU A 642 1.012 5.356 -1.479 1.00 64.42 H new ATOM 0 HA LEU A 642 -1.404 6.487 -0.231 1.00 72.54 H new ATOM 0 HB2 LEU A 642 -0.572 4.551 1.036 1.00 22.30 H new ATOM 0 HB3 LEU A 642 1.042 5.235 1.041 1.00 22.30 H new ATOM 0 HG LEU A 642 0.042 7.226 2.273 1.00 42.14 H new ATOM 0 HD11 LEU A 642 -2.001 6.797 3.544 1.00 32.35 H new ATOM 0 HD12 LEU A 642 -2.292 6.826 1.789 1.00 32.35 H new ATOM 0 HD13 LEU A 642 -2.228 5.273 2.655 1.00 32.35 H new ATOM 0 HD21 LEU A 642 0.154 6.076 4.426 1.00 64.14 H new ATOM 0 HD22 LEU A 642 0.067 4.510 3.586 1.00 64.14 H new ATOM 0 HD23 LEU A 642 1.465 5.582 3.328 1.00 64.14 H new ATOM 2225 N GLU A 643 -0.155 8.618 -0.478 1.00 31.33 N ATOM 2226 CA GLU A 643 0.508 9.889 -0.489 1.00 12.31 C ATOM 2227 C GLU A 643 0.402 10.486 0.899 1.00 70.11 C ATOM 2228 O GLU A 643 -0.688 10.852 1.345 1.00 54.12 O ATOM 2229 CB GLU A 643 -0.146 10.793 -1.526 1.00 65.21 C ATOM 2230 CG GLU A 643 0.595 12.083 -1.807 1.00 63.32 C ATOM 2231 CD GLU A 643 0.005 12.844 -2.967 1.00 71.25 C ATOM 2232 OE1 GLU A 643 -0.328 12.212 -3.999 1.00 11.41 O ATOM 2233 OE2 GLU A 643 -0.078 14.080 -2.914 1.00 34.33 O ATOM 0 H GLU A 643 -1.154 8.664 -0.677 1.00 31.33 H new ATOM 0 HA GLU A 643 1.559 9.779 -0.755 1.00 12.31 H new ATOM 0 HB2 GLU A 643 -0.246 10.238 -2.459 1.00 65.21 H new ATOM 0 HB3 GLU A 643 -1.154 11.036 -1.190 1.00 65.21 H new ATOM 0 HG2 GLU A 643 0.576 12.711 -0.916 1.00 63.32 H new ATOM 0 HG3 GLU A 643 1.641 11.860 -2.017 1.00 63.32 H new ATOM 2240 N VAL A 644 1.495 10.495 1.609 1.00 40.11 N ATOM 2241 CA VAL A 644 1.517 11.020 2.943 1.00 74.22 C ATOM 2242 C VAL A 644 2.030 12.436 2.911 1.00 53.44 C ATOM 2243 O VAL A 644 3.226 12.658 2.702 1.00 54.43 O ATOM 2244 CB VAL A 644 2.445 10.188 3.835 1.00 30.34 C ATOM 2245 CG1 VAL A 644 2.338 10.635 5.280 1.00 0.50 C ATOM 2246 CG2 VAL A 644 2.156 8.702 3.675 1.00 13.15 C ATOM 0 H VAL A 644 2.393 10.140 1.280 1.00 40.11 H new ATOM 0 HA VAL A 644 0.504 10.986 3.345 1.00 74.22 H new ATOM 0 HB VAL A 644 3.475 10.353 3.519 1.00 30.34 H new ATOM 0 HG11 VAL A 644 3.004 10.033 5.898 1.00 0.50 H new ATOM 0 HG12 VAL A 644 2.621 11.685 5.358 1.00 0.50 H new ATOM 0 HG13 VAL A 644 1.312 10.510 5.625 1.00 0.50 H new ATOM 0 HG21 VAL A 644 2.826 8.130 4.317 1.00 13.15 H new ATOM 0 HG22 VAL A 644 1.123 8.500 3.957 1.00 13.15 H new ATOM 0 HG23 VAL A 644 2.312 8.411 2.636 1.00 13.15 H new ATOM 2256 N ILE A 645 1.150 13.383 3.057 1.00 60.41 N ATOM 2257 CA ILE A 645 1.547 14.774 3.048 1.00 34.24 C ATOM 2258 C ILE A 645 1.949 15.180 4.455 1.00 71.31 C ATOM 2259 O ILE A 645 1.205 14.932 5.419 1.00 71.42 O ATOM 2260 CB ILE A 645 0.437 15.743 2.486 1.00 73.32 C ATOM 2261 CG1 ILE A 645 0.079 15.422 1.013 1.00 52.41 C ATOM 2262 CG2 ILE A 645 0.853 17.201 2.619 1.00 72.15 C ATOM 2263 CD1 ILE A 645 -0.907 14.285 0.837 1.00 41.14 C ATOM 0 H ILE A 645 0.150 13.225 3.184 1.00 60.41 H new ATOM 0 HA ILE A 645 2.392 14.868 2.366 1.00 34.24 H new ATOM 0 HB ILE A 645 -0.455 15.580 3.092 1.00 73.32 H new ATOM 0 HG12 ILE A 645 -0.333 16.318 0.549 1.00 52.41 H new ATOM 0 HG13 ILE A 645 0.995 15.178 0.475 1.00 52.41 H new ATOM 0 HG21 ILE A 645 0.065 17.842 2.222 1.00 72.15 H new ATOM 0 HG22 ILE A 645 1.018 17.438 3.670 1.00 72.15 H new ATOM 0 HG23 ILE A 645 1.774 17.369 2.060 1.00 72.15 H new ATOM 0 HD11 ILE A 645 -1.099 14.131 -0.225 1.00 41.14 H new ATOM 0 HD12 ILE A 645 -0.492 13.373 1.267 1.00 41.14 H new ATOM 0 HD13 ILE A 645 -1.841 14.532 1.342 1.00 41.14 H new ATOM 2275 N ILE A 646 3.127 15.762 4.584 1.00 73.04 N ATOM 2276 CA ILE A 646 3.623 16.135 5.882 1.00 10.42 C ATOM 2277 C ILE A 646 3.629 17.624 5.967 1.00 12.45 C ATOM 2278 O ILE A 646 4.476 18.314 5.349 1.00 51.15 O ATOM 2279 CB ILE A 646 5.067 15.627 6.196 1.00 31.10 C ATOM 2280 CG1 ILE A 646 5.305 14.217 5.648 1.00 73.34 C ATOM 2281 CG2 ILE A 646 5.330 15.658 7.706 1.00 65.21 C ATOM 2282 CD1 ILE A 646 5.663 14.208 4.174 1.00 22.04 C ATOM 0 H ILE A 646 3.750 15.983 3.807 1.00 73.04 H new ATOM 0 HA ILE A 646 2.962 15.666 6.611 1.00 10.42 H new ATOM 0 HB ILE A 646 5.765 16.300 5.698 1.00 31.10 H new ATOM 0 HG12 ILE A 646 6.107 13.743 6.214 1.00 73.34 H new ATOM 0 HG13 ILE A 646 4.408 13.617 5.802 1.00 73.34 H new ATOM 0 HG21 ILE A 646 6.340 15.301 7.907 1.00 65.21 H new ATOM 0 HG22 ILE A 646 5.227 16.679 8.072 1.00 65.21 H new ATOM 0 HG23 ILE A 646 4.611 15.016 8.214 1.00 65.21 H new ATOM 0 HD11 ILE A 646 5.820 13.181 3.844 1.00 22.04 H new ATOM 0 HD12 ILE A 646 4.851 14.654 3.600 1.00 22.04 H new ATOM 0 HD13 ILE A 646 6.576 14.783 4.018 1.00 22.04 H new ATOM 2294 N GLU A 647 2.718 18.096 6.712 1.00 72.11 N ATOM 2295 CA GLU A 647 2.502 19.478 6.931 1.00 53.40 C ATOM 2296 C GLU A 647 2.919 19.794 8.353 1.00 22.22 C ATOM 2297 O GLU A 647 3.656 19.028 8.950 1.00 24.32 O ATOM 2298 CB GLU A 647 1.019 19.764 6.700 1.00 10.24 C ATOM 2299 CG GLU A 647 0.090 18.807 7.440 1.00 1.32 C ATOM 2300 CD GLU A 647 -1.343 19.174 7.271 1.00 51.24 C ATOM 2301 OE1 GLU A 647 -1.789 20.121 7.943 1.00 35.54 O ATOM 2302 OE2 GLU A 647 -2.051 18.556 6.424 1.00 75.31 O ATOM 0 H GLU A 647 2.061 17.503 7.218 1.00 72.11 H new ATOM 0 HA GLU A 647 3.085 20.101 6.252 1.00 53.40 H new ATOM 0 HB2 GLU A 647 0.801 20.785 7.015 1.00 10.24 H new ATOM 0 HB3 GLU A 647 0.809 19.708 5.632 1.00 10.24 H new ATOM 0 HG2 GLU A 647 0.249 17.793 7.074 1.00 1.32 H new ATOM 0 HG3 GLU A 647 0.341 18.807 8.501 1.00 1.32 H new ATOM 2309 N GLU A 648 2.470 20.898 8.883 1.00 73.54 N ATOM 2310 CA GLU A 648 2.769 21.265 10.250 1.00 32.14 C ATOM 2311 C GLU A 648 1.817 20.527 11.191 1.00 41.21 C ATOM 2312 O GLU A 648 1.056 19.646 10.767 1.00 62.43 O ATOM 2313 CB GLU A 648 2.604 22.779 10.427 1.00 24.51 C ATOM 2314 CG GLU A 648 3.520 23.605 9.545 1.00 44.11 C ATOM 2315 CD GLU A 648 4.982 23.410 9.864 1.00 31.15 C ATOM 2316 OE1 GLU A 648 5.590 22.403 9.418 1.00 24.24 O ATOM 2317 OE2 GLU A 648 5.580 24.290 10.497 1.00 74.10 O ATOM 0 H GLU A 648 1.887 21.571 8.385 1.00 73.54 H new ATOM 0 HA GLU A 648 3.797 20.990 10.485 1.00 32.14 H new ATOM 0 HB2 GLU A 648 1.570 23.049 10.213 1.00 24.51 H new ATOM 0 HB3 GLU A 648 2.792 23.035 11.470 1.00 24.51 H new ATOM 0 HG2 GLU A 648 3.344 23.343 8.502 1.00 44.11 H new ATOM 0 HG3 GLU A 648 3.267 24.660 9.656 1.00 44.11 H new ATOM 2324 N SER A 649 1.864 20.853 12.448 1.00 52.42 N ATOM 2325 CA SER A 649 0.955 20.282 13.394 1.00 4.04 C ATOM 2326 C SER A 649 -0.383 21.021 13.279 1.00 62.44 C ATOM 2327 O SER A 649 -0.670 21.980 14.009 1.00 55.31 O ATOM 2328 CB SER A 649 1.540 20.351 14.817 1.00 31.31 C ATOM 2329 OG SER A 649 0.751 19.642 15.767 1.00 23.42 O ATOM 0 H SER A 649 2.529 21.518 12.844 1.00 52.42 H new ATOM 0 HA SER A 649 0.793 19.226 13.180 1.00 4.04 H new ATOM 0 HB2 SER A 649 2.550 19.942 14.811 1.00 31.31 H new ATOM 0 HB3 SER A 649 1.621 21.394 15.123 1.00 31.31 H new ATOM 0 HG SER A 649 1.163 19.714 16.653 1.00 23.42 H new ATOM 2335 N TYR A 650 -1.137 20.627 12.289 1.00 11.02 N ATOM 2336 CA TYR A 650 -2.403 21.217 11.979 1.00 65.53 C ATOM 2337 C TYR A 650 -3.339 20.126 11.508 1.00 54.11 C ATOM 2338 O TYR A 650 -4.355 19.849 12.158 1.00 23.03 O ATOM 2339 CB TYR A 650 -2.218 22.283 10.878 1.00 64.23 C ATOM 2340 CG TYR A 650 -3.489 22.996 10.485 1.00 64.01 C ATOM 2341 CD1 TYR A 650 -3.946 24.071 11.220 1.00 52.54 C ATOM 2342 CD2 TYR A 650 -4.230 22.590 9.380 1.00 53.15 C ATOM 2343 CE1 TYR A 650 -5.104 24.720 10.878 1.00 21.11 C ATOM 2344 CE2 TYR A 650 -5.389 23.237 9.029 1.00 15.35 C ATOM 2345 CZ TYR A 650 -5.821 24.301 9.782 1.00 71.22 C ATOM 2346 OH TYR A 650 -6.987 24.954 9.447 1.00 74.11 O ATOM 0 H TYR A 650 -0.877 19.866 11.661 1.00 11.02 H new ATOM 0 HA TYR A 650 -2.824 21.700 12.861 1.00 65.53 H new ATOM 0 HB2 TYR A 650 -1.492 23.021 11.221 1.00 64.23 H new ATOM 0 HB3 TYR A 650 -1.794 21.806 9.994 1.00 64.23 H new ATOM 0 HD1 TYR A 650 -3.382 24.406 12.078 1.00 52.54 H new ATOM 0 HD2 TYR A 650 -3.888 21.753 8.789 1.00 53.15 H new ATOM 0 HE1 TYR A 650 -5.451 25.556 11.466 1.00 21.11 H new ATOM 0 HE2 TYR A 650 -5.956 22.912 8.169 1.00 15.35 H new ATOM 0 HH TYR A 650 -7.376 24.540 8.648 1.00 74.11 H new ATOM 2356 N GLU A 651 -2.949 19.492 10.390 1.00 14.03 N ATOM 2357 CA GLU A 651 -3.650 18.412 9.732 1.00 50.32 C ATOM 2358 C GLU A 651 -4.900 18.902 9.051 1.00 4.21 C ATOM 2359 O GLU A 651 -5.823 19.455 9.682 1.00 30.54 O ATOM 2360 CB GLU A 651 -3.954 17.308 10.667 1.00 43.33 C ATOM 2361 CG GLU A 651 -2.737 16.658 11.284 1.00 44.15 C ATOM 2362 CD GLU A 651 -3.114 15.736 12.393 1.00 71.04 C ATOM 2363 OE1 GLU A 651 -3.399 14.554 12.136 1.00 32.33 O ATOM 2364 OE2 GLU A 651 -3.150 16.179 13.558 1.00 72.11 O ATOM 0 H GLU A 651 -2.087 19.744 9.906 1.00 14.03 H new ATOM 0 HA GLU A 651 -2.984 18.018 8.964 1.00 50.32 H new ATOM 0 HB2 GLU A 651 -4.591 17.689 11.465 1.00 43.33 H new ATOM 0 HB3 GLU A 651 -4.528 16.547 10.137 1.00 43.33 H new ATOM 0 HG2 GLU A 651 -2.191 16.105 10.519 1.00 44.15 H new ATOM 0 HG3 GLU A 651 -2.064 17.428 11.662 1.00 44.15 H new ATOM 2371 N PHE A 652 -4.933 18.685 7.800 1.00 41.52 N ATOM 2372 CA PHE A 652 -6.010 19.079 6.962 1.00 62.51 C ATOM 2373 C PHE A 652 -6.520 17.824 6.281 1.00 62.42 C ATOM 2374 O PHE A 652 -5.861 16.792 6.316 1.00 43.41 O ATOM 2375 CB PHE A 652 -5.499 20.116 5.937 1.00 61.14 C ATOM 2376 CG PHE A 652 -6.562 20.746 5.079 1.00 33.12 C ATOM 2377 CD1 PHE A 652 -7.481 21.616 5.632 1.00 64.14 C ATOM 2378 CD2 PHE A 652 -6.641 20.465 3.724 1.00 73.14 C ATOM 2379 CE1 PHE A 652 -8.459 22.196 4.857 1.00 24.32 C ATOM 2380 CE2 PHE A 652 -7.622 21.042 2.939 1.00 51.40 C ATOM 2381 CZ PHE A 652 -8.532 21.909 3.507 1.00 64.31 C ATOM 0 H PHE A 652 -4.183 18.208 7.300 1.00 41.52 H new ATOM 0 HA PHE A 652 -6.819 19.546 7.524 1.00 62.51 H new ATOM 0 HB2 PHE A 652 -4.973 20.905 6.474 1.00 61.14 H new ATOM 0 HB3 PHE A 652 -4.770 19.632 5.287 1.00 61.14 H new ATOM 0 HD1 PHE A 652 -7.431 21.844 6.686 1.00 64.14 H new ATOM 0 HD2 PHE A 652 -5.928 19.788 3.277 1.00 73.14 H new ATOM 0 HE1 PHE A 652 -9.170 22.876 5.304 1.00 24.32 H new ATOM 0 HE2 PHE A 652 -7.676 20.815 1.885 1.00 51.40 H new ATOM 0 HZ PHE A 652 -9.300 22.363 2.898 1.00 64.31 H new ATOM 2391 N LYS A 653 -7.679 17.883 5.710 1.00 12.12 N ATOM 2392 CA LYS A 653 -8.236 16.738 5.051 1.00 33.42 C ATOM 2393 C LYS A 653 -8.440 17.013 3.580 1.00 12.33 C ATOM 2394 O LYS A 653 -9.391 17.695 3.191 1.00 4.13 O ATOM 2395 CB LYS A 653 -9.544 16.323 5.728 1.00 34.31 C ATOM 2396 CG LYS A 653 -9.370 15.840 7.170 1.00 11.31 C ATOM 2397 CD LYS A 653 -8.710 14.463 7.255 1.00 72.43 C ATOM 2398 CE LYS A 653 -9.594 13.361 6.662 1.00 42.02 C ATOM 2399 NZ LYS A 653 -10.893 13.244 7.362 1.00 32.31 N ATOM 0 H LYS A 653 -8.265 18.717 5.685 1.00 12.12 H new ATOM 0 HA LYS A 653 -7.533 15.909 5.135 1.00 33.42 H new ATOM 0 HB2 LYS A 653 -10.231 17.169 5.719 1.00 34.31 H new ATOM 0 HB3 LYS A 653 -10.009 15.529 5.143 1.00 34.31 H new ATOM 0 HG2 LYS A 653 -8.767 16.562 7.721 1.00 11.31 H new ATOM 0 HG3 LYS A 653 -10.345 15.802 7.656 1.00 11.31 H new ATOM 0 HD2 LYS A 653 -7.757 14.485 6.727 1.00 72.43 H new ATOM 0 HD3 LYS A 653 -8.492 14.230 8.297 1.00 72.43 H new ATOM 0 HE2 LYS A 653 -9.770 13.568 5.607 1.00 42.02 H new ATOM 0 HE3 LYS A 653 -9.068 12.408 6.716 1.00 42.02 H new ATOM 0 HZ1 LYS A 653 -11.361 12.359 7.080 1.00 32.31 H new ATOM 0 HZ2 LYS A 653 -10.734 13.240 8.390 1.00 32.31 H new ATOM 0 HZ3 LYS A 653 -11.498 14.051 7.108 1.00 32.31 H new ATOM 2413 N SER A 654 -7.513 16.556 2.778 1.00 35.13 N ATOM 2414 CA SER A 654 -7.629 16.676 1.358 1.00 53.15 C ATOM 2415 C SER A 654 -7.230 15.346 0.719 1.00 11.20 C ATOM 2416 O SER A 654 -6.088 15.149 0.286 1.00 53.31 O ATOM 2417 CB SER A 654 -6.783 17.854 0.821 1.00 2.25 C ATOM 2418 OG SER A 654 -7.000 18.077 -0.569 1.00 52.34 O ATOM 0 H SER A 654 -6.661 16.093 3.095 1.00 35.13 H new ATOM 0 HA SER A 654 -8.662 16.900 1.093 1.00 53.15 H new ATOM 0 HB2 SER A 654 -7.029 18.759 1.376 1.00 2.25 H new ATOM 0 HB3 SER A 654 -5.726 17.650 0.995 1.00 2.25 H new ATOM 0 HG SER A 654 -6.449 18.830 -0.869 1.00 52.34 H new ATOM 2424 N THR A 655 -8.147 14.419 0.745 1.00 55.02 N ATOM 2425 CA THR A 655 -7.915 13.110 0.220 1.00 43.43 C ATOM 2426 C THR A 655 -8.440 13.039 -1.208 1.00 15.23 C ATOM 2427 O THR A 655 -9.655 12.961 -1.439 1.00 10.13 O ATOM 2428 CB THR A 655 -8.612 12.052 1.099 1.00 4.35 C ATOM 2429 OG1 THR A 655 -8.289 12.318 2.480 1.00 41.23 O ATOM 2430 CG2 THR A 655 -8.144 10.642 0.743 1.00 14.25 C ATOM 0 H THR A 655 -9.080 14.555 1.134 1.00 55.02 H new ATOM 0 HA THR A 655 -6.844 12.906 0.220 1.00 43.43 H new ATOM 0 HB THR A 655 -9.687 12.109 0.930 1.00 4.35 H new ATOM 0 HG1 THR A 655 -8.727 11.654 3.052 1.00 41.23 H new ATOM 0 HG21 THR A 655 -8.653 9.918 1.379 1.00 14.25 H new ATOM 0 HG22 THR A 655 -8.377 10.434 -0.301 1.00 14.25 H new ATOM 0 HG23 THR A 655 -7.068 10.566 0.896 1.00 14.25 H new ATOM 2438 N VAL A 656 -7.544 13.140 -2.146 1.00 53.05 N ATOM 2439 CA VAL A 656 -7.900 13.078 -3.544 1.00 1.34 C ATOM 2440 C VAL A 656 -7.825 11.643 -4.046 1.00 41.04 C ATOM 2441 O VAL A 656 -7.254 10.775 -3.375 1.00 25.31 O ATOM 2442 CB VAL A 656 -7.009 14.008 -4.414 1.00 4.53 C ATOM 2443 CG1 VAL A 656 -7.254 15.469 -4.055 1.00 71.33 C ATOM 2444 CG2 VAL A 656 -5.533 13.671 -4.242 1.00 53.45 C ATOM 0 H VAL A 656 -6.547 13.267 -1.970 1.00 53.05 H new ATOM 0 HA VAL A 656 -8.926 13.434 -3.637 1.00 1.34 H new ATOM 0 HB VAL A 656 -7.279 13.848 -5.458 1.00 4.53 H new ATOM 0 HG11 VAL A 656 -6.622 16.107 -4.673 1.00 71.33 H new ATOM 0 HG12 VAL A 656 -8.301 15.716 -4.230 1.00 71.33 H new ATOM 0 HG13 VAL A 656 -7.014 15.631 -3.004 1.00 71.33 H new ATOM 0 HG21 VAL A 656 -4.933 14.337 -4.862 1.00 53.45 H new ATOM 0 HG22 VAL A 656 -5.251 13.796 -3.197 1.00 53.45 H new ATOM 0 HG23 VAL A 656 -5.358 12.638 -4.544 1.00 53.45 H new ATOM 2454 N ASP A 657 -8.408 11.392 -5.189 1.00 50.43 N ATOM 2455 CA ASP A 657 -8.416 10.053 -5.775 1.00 11.14 C ATOM 2456 C ASP A 657 -7.614 10.043 -7.056 1.00 62.34 C ATOM 2457 O ASP A 657 -7.530 11.078 -7.758 1.00 21.21 O ATOM 2458 CB ASP A 657 -9.851 9.559 -6.065 1.00 32.20 C ATOM 2459 CG ASP A 657 -10.691 9.305 -4.824 1.00 1.31 C ATOM 2460 OD1 ASP A 657 -11.348 10.248 -4.331 1.00 53.34 O ATOM 2461 OD2 ASP A 657 -10.746 8.143 -4.345 1.00 1.43 O ATOM 0 H ASP A 657 -8.891 12.097 -5.746 1.00 50.43 H new ATOM 0 HA ASP A 657 -7.966 9.377 -5.048 1.00 11.14 H new ATOM 0 HB2 ASP A 657 -10.358 10.297 -6.687 1.00 32.20 H new ATOM 0 HB3 ASP A 657 -9.795 8.638 -6.645 1.00 32.20 H new TER 2466 ASP A 657 HETATM 2467 CA CA A 800 6.728 21.489 8.492 1.00 13.53 CA HETATM 2468 CA CA A 850 12.378 17.994 6.203 1.00 14.11 CA