USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 782 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 180:sc= 0 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 506 THR OG1 : rot -72:sc= 0.607 USER MOD Set 2.2: A 639 THR OG1 : rot -64:sc= 0.308! USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=-0.011) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl -164:sc= -0.48 (180deg=-0.791) USER MOD Single : A 524 LYS NZ :NH3+ 160:sc= -0.0711 (180deg=-0.468) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0.00544 USER MOD Single : A 529 SER OG : rot -127:sc= 0.663 USER MOD Single : A 534 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 97:sc= 1.32 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : A 557 CYS SG : rot -94:sc= 1.22 USER MOD Single : A 563 GLN : amide:sc= 0.106 K(o=0.11,f=-0.94) USER MOD Single : A 564 ASN : amide:sc= 0.957 K(o=0.96,f=-2.1) USER MOD Single : A 569 LYS NZ :NH3+ -159:sc= -0.0474 (180deg=-0.495) USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 585 CYS SG : rot 172:sc= -0.598 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.45) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 3.299 -1.793 -5.417 1.00 43.23 N ATOM 29 CA GLY A 503 3.482 -2.707 -6.492 1.00 73.14 C ATOM 30 C GLY A 503 2.501 -3.837 -6.476 1.00 43.34 C ATOM 31 O GLY A 503 2.441 -4.589 -5.525 1.00 51.21 O ATOM 0 HA2 GLY A 503 3.393 -2.170 -7.436 1.00 73.14 H new ATOM 0 HA3 GLY A 503 4.493 -3.111 -6.449 1.00 73.14 H new ATOM 35 N ILE A 504 1.675 -3.885 -7.503 1.00 51.25 N ATOM 36 CA ILE A 504 0.780 -4.995 -7.756 1.00 23.20 C ATOM 37 C ILE A 504 1.034 -5.394 -9.180 1.00 40.11 C ATOM 38 O ILE A 504 0.802 -4.597 -10.087 1.00 50.34 O ATOM 39 CB ILE A 504 -0.734 -4.634 -7.583 1.00 34.33 C ATOM 40 CG1 ILE A 504 -1.057 -4.292 -6.122 1.00 30.32 C ATOM 41 CG2 ILE A 504 -1.646 -5.773 -8.087 1.00 42.33 C ATOM 42 CD1 ILE A 504 -2.512 -3.948 -5.878 1.00 15.34 C ATOM 0 H ILE A 504 1.607 -3.140 -8.197 1.00 51.25 H new ATOM 0 HA ILE A 504 0.975 -5.789 -7.035 1.00 23.20 H new ATOM 0 HB ILE A 504 -0.930 -3.752 -8.192 1.00 34.33 H new ATOM 0 HG12 ILE A 504 -0.784 -5.139 -5.492 1.00 30.32 H new ATOM 0 HG13 ILE A 504 -0.438 -3.450 -5.811 1.00 30.32 H new ATOM 0 HG21 ILE A 504 -2.690 -5.490 -7.952 1.00 42.33 H new ATOM 0 HG22 ILE A 504 -1.452 -5.953 -9.144 1.00 42.33 H new ATOM 0 HG23 ILE A 504 -1.440 -6.681 -7.521 1.00 42.33 H new ATOM 0 HD11 ILE A 504 -2.660 -3.719 -4.823 1.00 15.34 H new ATOM 0 HD12 ILE A 504 -2.787 -3.082 -6.480 1.00 15.34 H new ATOM 0 HD13 ILE A 504 -3.138 -4.796 -6.156 1.00 15.34 H new ATOM 54 N PHE A 505 1.551 -6.559 -9.370 1.00 41.34 N ATOM 55 CA PHE A 505 1.889 -7.032 -10.682 1.00 43.45 C ATOM 56 C PHE A 505 0.837 -7.979 -11.206 1.00 25.31 C ATOM 57 O PHE A 505 0.294 -8.792 -10.458 1.00 5.15 O ATOM 58 CB PHE A 505 3.274 -7.675 -10.653 1.00 22.52 C ATOM 59 CG PHE A 505 4.318 -6.722 -10.143 1.00 43.11 C ATOM 60 CD1 PHE A 505 4.904 -5.797 -10.988 1.00 61.14 C ATOM 61 CD2 PHE A 505 4.685 -6.733 -8.809 1.00 70.13 C ATOM 62 CE1 PHE A 505 5.840 -4.895 -10.510 1.00 55.24 C ATOM 63 CE2 PHE A 505 5.621 -5.841 -8.323 1.00 71.12 C ATOM 64 CZ PHE A 505 6.199 -4.918 -9.175 1.00 74.42 C ATOM 0 H PHE A 505 1.755 -7.219 -8.620 1.00 41.34 H new ATOM 0 HA PHE A 505 1.919 -6.188 -11.371 1.00 43.45 H new ATOM 0 HB2 PHE A 505 3.250 -8.562 -10.020 1.00 22.52 H new ATOM 0 HB3 PHE A 505 3.543 -8.006 -11.656 1.00 22.52 H new ATOM 0 HD1 PHE A 505 4.629 -5.778 -12.032 1.00 61.14 H new ATOM 0 HD2 PHE A 505 4.233 -7.449 -8.138 1.00 70.13 H new ATOM 0 HE1 PHE A 505 6.289 -4.175 -11.179 1.00 55.24 H new ATOM 0 HE2 PHE A 505 5.901 -5.864 -7.280 1.00 71.12 H new ATOM 0 HZ PHE A 505 6.929 -4.217 -8.799 1.00 74.42 H new ATOM 74 N THR A 506 0.513 -7.834 -12.454 1.00 53.22 N ATOM 75 CA THR A 506 -0.473 -8.660 -13.085 1.00 34.21 C ATOM 76 C THR A 506 -0.139 -8.855 -14.550 1.00 53.14 C ATOM 77 O THR A 506 0.534 -8.026 -15.159 1.00 61.22 O ATOM 78 CB THR A 506 -1.911 -8.044 -12.944 1.00 61.15 C ATOM 79 OG1 THR A 506 -2.878 -8.807 -13.708 1.00 11.03 O ATOM 80 CG2 THR A 506 -1.946 -6.585 -13.403 1.00 24.55 C ATOM 0 H THR A 506 0.928 -7.134 -13.069 1.00 53.22 H new ATOM 0 HA THR A 506 -0.465 -9.627 -12.582 1.00 34.21 H new ATOM 0 HB THR A 506 -2.171 -8.084 -11.886 1.00 61.15 H new ATOM 0 HG1 THR A 506 -2.738 -8.648 -14.665 1.00 11.03 H new ATOM 0 HG21 THR A 506 -2.957 -6.192 -13.291 1.00 24.55 H new ATOM 0 HG22 THR A 506 -1.259 -5.996 -12.796 1.00 24.55 H new ATOM 0 HG23 THR A 506 -1.648 -6.526 -14.450 1.00 24.55 H new ATOM 88 N PHE A 507 -0.582 -9.960 -15.092 1.00 30.42 N ATOM 89 CA PHE A 507 -0.496 -10.205 -16.510 1.00 55.24 C ATOM 90 C PHE A 507 -1.496 -9.308 -17.224 1.00 2.23 C ATOM 91 O PHE A 507 -2.448 -8.804 -16.592 1.00 23.34 O ATOM 92 CB PHE A 507 -0.798 -11.674 -16.834 1.00 12.22 C ATOM 93 CG PHE A 507 0.242 -12.635 -16.358 1.00 52.01 C ATOM 94 CD1 PHE A 507 1.430 -12.770 -17.044 1.00 1.50 C ATOM 95 CD2 PHE A 507 0.029 -13.410 -15.242 1.00 12.11 C ATOM 96 CE1 PHE A 507 2.389 -13.658 -16.621 1.00 63.12 C ATOM 97 CE2 PHE A 507 0.979 -14.298 -14.809 1.00 73.32 C ATOM 98 CZ PHE A 507 2.163 -14.426 -15.500 1.00 13.41 C ATOM 0 H PHE A 507 -1.014 -10.717 -14.562 1.00 30.42 H new ATOM 0 HA PHE A 507 0.517 -9.986 -16.846 1.00 55.24 H new ATOM 0 HB2 PHE A 507 -1.756 -11.943 -16.388 1.00 12.22 H new ATOM 0 HB3 PHE A 507 -0.908 -11.781 -17.913 1.00 12.22 H new ATOM 0 HD1 PHE A 507 1.609 -12.171 -17.924 1.00 1.50 H new ATOM 0 HD2 PHE A 507 -0.900 -13.318 -14.699 1.00 12.11 H new ATOM 0 HE1 PHE A 507 3.317 -13.754 -17.165 1.00 63.12 H new ATOM 0 HE2 PHE A 507 0.799 -14.896 -13.928 1.00 73.32 H new ATOM 0 HZ PHE A 507 2.913 -15.127 -15.164 1.00 13.41 H new ATOM 108 N GLU A 508 -1.264 -9.083 -18.503 1.00 62.43 N ATOM 109 CA GLU A 508 -2.153 -8.279 -19.334 1.00 43.32 C ATOM 110 C GLU A 508 -3.536 -8.916 -19.414 1.00 41.40 C ATOM 111 O GLU A 508 -4.561 -8.246 -19.216 1.00 75.43 O ATOM 112 CB GLU A 508 -1.569 -8.138 -20.736 1.00 23.52 C ATOM 113 CG GLU A 508 -0.238 -7.413 -20.779 1.00 12.31 C ATOM 114 CD GLU A 508 0.330 -7.332 -22.172 1.00 42.51 C ATOM 115 OE1 GLU A 508 -0.079 -6.435 -22.943 1.00 62.33 O ATOM 116 OE2 GLU A 508 1.192 -8.158 -22.518 1.00 42.12 O ATOM 0 H GLU A 508 -0.453 -9.451 -19.000 1.00 62.43 H new ATOM 0 HA GLU A 508 -2.249 -7.292 -18.882 1.00 43.32 H new ATOM 0 HB2 GLU A 508 -1.445 -9.131 -21.168 1.00 23.52 H new ATOM 0 HB3 GLU A 508 -2.282 -7.604 -21.364 1.00 23.52 H new ATOM 0 HG2 GLU A 508 -0.364 -6.406 -20.382 1.00 12.31 H new ATOM 0 HG3 GLU A 508 0.472 -7.925 -20.130 1.00 12.31 H new ATOM 123 N GLU A 509 -3.547 -10.204 -19.678 1.00 61.40 N ATOM 124 CA GLU A 509 -4.751 -10.993 -19.800 1.00 25.34 C ATOM 125 C GLU A 509 -4.548 -12.279 -19.018 1.00 2.53 C ATOM 126 O GLU A 509 -3.410 -12.686 -18.825 1.00 40.15 O ATOM 127 CB GLU A 509 -5.027 -11.302 -21.281 1.00 50.32 C ATOM 128 CG GLU A 509 -5.361 -10.073 -22.102 1.00 13.32 C ATOM 129 CD GLU A 509 -5.532 -10.365 -23.566 1.00 43.24 C ATOM 130 OE1 GLU A 509 -6.600 -10.872 -23.974 1.00 32.41 O ATOM 131 OE2 GLU A 509 -4.618 -10.073 -24.347 1.00 23.13 O ATOM 0 H GLU A 509 -2.694 -10.746 -19.817 1.00 61.40 H new ATOM 0 HA GLU A 509 -5.608 -10.447 -19.404 1.00 25.34 H new ATOM 0 HB2 GLU A 509 -4.153 -11.790 -21.711 1.00 50.32 H new ATOM 0 HB3 GLU A 509 -5.853 -12.010 -21.349 1.00 50.32 H new ATOM 0 HG2 GLU A 509 -6.278 -9.626 -21.718 1.00 13.32 H new ATOM 0 HG3 GLU A 509 -4.570 -9.334 -21.976 1.00 13.32 H new ATOM 138 N PRO A 510 -5.623 -12.920 -18.529 1.00 41.22 N ATOM 139 CA PRO A 510 -5.505 -14.166 -17.761 1.00 43.54 C ATOM 140 C PRO A 510 -5.344 -15.407 -18.660 1.00 24.54 C ATOM 141 O PRO A 510 -4.900 -16.474 -18.214 1.00 63.52 O ATOM 142 CB PRO A 510 -6.826 -14.222 -16.989 1.00 73.14 C ATOM 143 CG PRO A 510 -7.812 -13.497 -17.852 1.00 14.54 C ATOM 144 CD PRO A 510 -7.032 -12.473 -18.647 1.00 54.31 C ATOM 0 HA PRO A 510 -4.620 -14.173 -17.125 1.00 43.54 H new ATOM 0 HB2 PRO A 510 -7.137 -15.252 -16.814 1.00 73.14 H new ATOM 0 HB3 PRO A 510 -6.733 -13.747 -16.012 1.00 73.14 H new ATOM 0 HG2 PRO A 510 -8.327 -14.191 -18.516 1.00 14.54 H new ATOM 0 HG3 PRO A 510 -8.575 -13.013 -17.243 1.00 14.54 H new ATOM 0 HD2 PRO A 510 -7.356 -12.445 -19.687 1.00 54.31 H new ATOM 0 HD3 PRO A 510 -7.167 -11.469 -18.245 1.00 54.31 H new ATOM 152 N VAL A 511 -5.708 -15.262 -19.908 1.00 72.30 N ATOM 153 CA VAL A 511 -5.638 -16.324 -20.883 1.00 35.01 C ATOM 154 C VAL A 511 -5.129 -15.738 -22.185 1.00 31.52 C ATOM 155 O VAL A 511 -5.526 -14.637 -22.563 1.00 12.43 O ATOM 156 CB VAL A 511 -7.045 -16.993 -21.113 1.00 2.14 C ATOM 157 CG1 VAL A 511 -7.011 -17.960 -22.273 1.00 12.25 C ATOM 158 CG2 VAL A 511 -7.509 -17.730 -19.868 1.00 24.11 C ATOM 0 H VAL A 511 -6.069 -14.385 -20.284 1.00 72.30 H new ATOM 0 HA VAL A 511 -4.965 -17.099 -20.517 1.00 35.01 H new ATOM 0 HB VAL A 511 -7.746 -16.189 -21.340 1.00 2.14 H new ATOM 0 HG11 VAL A 511 -7.997 -18.405 -22.405 1.00 12.25 H new ATOM 0 HG12 VAL A 511 -6.728 -17.429 -23.182 1.00 12.25 H new ATOM 0 HG13 VAL A 511 -6.283 -18.746 -22.070 1.00 12.25 H new ATOM 0 HG21 VAL A 511 -8.483 -18.182 -20.055 1.00 24.11 H new ATOM 0 HG22 VAL A 511 -6.789 -18.509 -19.617 1.00 24.11 H new ATOM 0 HG23 VAL A 511 -7.588 -17.028 -19.038 1.00 24.11 H new ATOM 168 N THR A 512 -4.227 -16.427 -22.829 1.00 14.03 N ATOM 169 CA THR A 512 -3.731 -15.990 -24.093 1.00 23.31 C ATOM 170 C THR A 512 -3.715 -17.160 -25.068 1.00 43.52 C ATOM 171 O THR A 512 -3.246 -18.271 -24.744 1.00 15.14 O ATOM 172 CB THR A 512 -2.319 -15.307 -23.993 1.00 21.23 C ATOM 173 OG1 THR A 512 -1.935 -14.745 -25.260 1.00 43.31 O ATOM 174 CG2 THR A 512 -1.241 -16.283 -23.540 1.00 21.33 C ATOM 0 H THR A 512 -3.821 -17.300 -22.491 1.00 14.03 H new ATOM 0 HA THR A 512 -4.406 -15.220 -24.466 1.00 23.31 H new ATOM 0 HB THR A 512 -2.407 -14.517 -23.247 1.00 21.23 H new ATOM 0 HG1 THR A 512 -1.054 -14.323 -25.177 1.00 43.31 H new ATOM 0 HG21 THR A 512 -0.283 -15.767 -23.485 1.00 21.33 H new ATOM 0 HG22 THR A 512 -1.497 -16.677 -22.557 1.00 21.33 H new ATOM 0 HG23 THR A 512 -1.171 -17.104 -24.253 1.00 21.33 H new ATOM 182 N HIS A 513 -4.285 -16.949 -26.212 1.00 2.43 N ATOM 183 CA HIS A 513 -4.245 -17.935 -27.242 1.00 3.25 C ATOM 184 C HIS A 513 -3.136 -17.591 -28.209 1.00 33.12 C ATOM 185 O HIS A 513 -3.121 -16.517 -28.817 1.00 62.43 O ATOM 186 CB HIS A 513 -5.618 -18.128 -27.945 1.00 24.33 C ATOM 187 CG HIS A 513 -6.283 -16.878 -28.485 1.00 42.44 C ATOM 188 ND1 HIS A 513 -7.368 -16.281 -27.892 1.00 1.43 N ATOM 189 CD2 HIS A 513 -6.013 -16.140 -29.592 1.00 32.41 C ATOM 190 CE1 HIS A 513 -7.717 -15.224 -28.632 1.00 62.42 C ATOM 191 NE2 HIS A 513 -6.924 -15.093 -29.681 1.00 34.20 N ATOM 0 H HIS A 513 -4.787 -16.095 -26.456 1.00 2.43 H new ATOM 0 HA HIS A 513 -4.029 -18.903 -26.791 1.00 3.25 H new ATOM 0 HB2 HIS A 513 -5.483 -18.827 -28.771 1.00 24.33 H new ATOM 0 HB3 HIS A 513 -6.300 -18.599 -27.237 1.00 24.33 H new ATOM 0 HD2 HIS A 513 -5.216 -16.335 -30.294 1.00 32.41 H new ATOM 0 HE1 HIS A 513 -8.540 -14.563 -28.403 1.00 62.42 H new ATOM 0 HE2 HIS A 513 -6.970 -14.375 -30.404 1.00 34.20 H new ATOM 199 N VAL A 514 -2.186 -18.447 -28.301 1.00 24.10 N ATOM 200 CA VAL A 514 -1.087 -18.229 -29.162 1.00 64.12 C ATOM 201 C VAL A 514 -1.016 -19.330 -30.186 1.00 13.34 C ATOM 202 O VAL A 514 -1.794 -20.290 -30.155 1.00 52.42 O ATOM 203 CB VAL A 514 0.276 -18.044 -28.415 1.00 51.44 C ATOM 204 CG1 VAL A 514 0.267 -16.775 -27.572 1.00 50.01 C ATOM 205 CG2 VAL A 514 0.606 -19.241 -27.544 1.00 13.32 C ATOM 0 H VAL A 514 -2.150 -19.322 -27.778 1.00 24.10 H new ATOM 0 HA VAL A 514 -1.261 -17.278 -29.665 1.00 64.12 H new ATOM 0 HB VAL A 514 1.049 -17.957 -29.178 1.00 51.44 H new ATOM 0 HG11 VAL A 514 1.225 -16.669 -27.063 1.00 50.01 H new ATOM 0 HG12 VAL A 514 0.101 -15.911 -28.216 1.00 50.01 H new ATOM 0 HG13 VAL A 514 -0.532 -16.835 -26.833 1.00 50.01 H new ATOM 0 HG21 VAL A 514 1.559 -19.074 -27.042 1.00 13.32 H new ATOM 0 HG22 VAL A 514 -0.178 -19.376 -26.798 1.00 13.32 H new ATOM 0 HG23 VAL A 514 0.674 -20.135 -28.164 1.00 13.32 H new ATOM 215 N SER A 515 -0.121 -19.190 -31.086 1.00 23.12 N ATOM 216 CA SER A 515 -0.001 -20.100 -32.162 1.00 13.53 C ATOM 217 C SER A 515 1.087 -21.097 -31.875 1.00 32.02 C ATOM 218 O SER A 515 2.039 -20.785 -31.185 1.00 54.42 O ATOM 219 CB SER A 515 0.364 -19.297 -33.376 1.00 74.32 C ATOM 220 OG SER A 515 -0.461 -18.157 -33.435 1.00 64.14 O ATOM 0 H SER A 515 0.560 -18.430 -31.099 1.00 23.12 H new ATOM 0 HA SER A 515 -0.933 -20.645 -32.313 1.00 13.53 H new ATOM 0 HB2 SER A 515 1.412 -19.002 -33.331 1.00 74.32 H new ATOM 0 HB3 SER A 515 0.241 -19.898 -34.277 1.00 74.32 H new ATOM 0 HG SER A 515 -0.228 -17.625 -34.225 1.00 64.14 H new ATOM 226 N GLU A 516 0.950 -22.275 -32.416 1.00 63.12 N ATOM 227 CA GLU A 516 1.981 -23.296 -32.313 1.00 13.30 C ATOM 228 C GLU A 516 3.211 -22.823 -33.100 1.00 24.32 C ATOM 229 O GLU A 516 4.341 -23.135 -32.778 1.00 61.40 O ATOM 230 CB GLU A 516 1.451 -24.604 -32.918 1.00 12.03 C ATOM 231 CG GLU A 516 0.232 -25.185 -32.204 1.00 73.44 C ATOM 232 CD GLU A 516 -0.383 -26.357 -32.950 1.00 52.24 C ATOM 233 OE1 GLU A 516 0.297 -26.951 -33.825 1.00 44.40 O ATOM 234 OE2 GLU A 516 -1.573 -26.673 -32.716 1.00 54.32 O ATOM 0 H GLU A 516 0.126 -22.564 -32.942 1.00 63.12 H new ATOM 0 HA GLU A 516 2.250 -23.465 -31.270 1.00 13.30 H new ATOM 0 HB2 GLU A 516 1.195 -24.428 -33.963 1.00 12.03 H new ATOM 0 HB3 GLU A 516 2.250 -25.345 -32.906 1.00 12.03 H new ATOM 0 HG2 GLU A 516 0.522 -25.508 -31.204 1.00 73.44 H new ATOM 0 HG3 GLU A 516 -0.518 -24.404 -32.081 1.00 73.44 H new ATOM 241 N SER A 517 2.942 -22.012 -34.099 1.00 2.42 N ATOM 242 CA SER A 517 3.933 -21.526 -35.027 1.00 54.23 C ATOM 243 C SER A 517 4.338 -20.057 -34.722 1.00 64.22 C ATOM 244 O SER A 517 4.872 -19.371 -35.588 1.00 25.34 O ATOM 245 CB SER A 517 3.270 -21.569 -36.395 1.00 24.45 C ATOM 246 OG SER A 517 2.488 -22.762 -36.541 1.00 23.24 O ATOM 0 H SER A 517 2.003 -21.664 -34.291 1.00 2.42 H new ATOM 0 HA SER A 517 4.836 -22.133 -34.964 1.00 54.23 H new ATOM 0 HB2 SER A 517 2.634 -20.693 -36.524 1.00 24.45 H new ATOM 0 HB3 SER A 517 4.030 -21.529 -37.175 1.00 24.45 H new ATOM 0 HG SER A 517 2.068 -22.771 -37.426 1.00 23.24 H new ATOM 252 N ILE A 518 4.108 -19.578 -33.498 1.00 41.13 N ATOM 253 CA ILE A 518 4.359 -18.157 -33.202 1.00 0.42 C ATOM 254 C ILE A 518 5.857 -17.849 -32.988 1.00 24.40 C ATOM 255 O ILE A 518 6.322 -16.733 -33.259 1.00 5.43 O ATOM 256 CB ILE A 518 3.520 -17.646 -31.986 1.00 45.22 C ATOM 257 CG1 ILE A 518 3.694 -16.131 -31.797 1.00 31.11 C ATOM 258 CG2 ILE A 518 3.882 -18.393 -30.714 1.00 55.04 C ATOM 259 CD1 ILE A 518 2.930 -15.568 -30.627 1.00 12.34 C ATOM 0 H ILE A 518 3.759 -20.129 -32.714 1.00 41.13 H new ATOM 0 HA ILE A 518 4.033 -17.614 -34.089 1.00 0.42 H new ATOM 0 HB ILE A 518 2.470 -17.844 -32.202 1.00 45.22 H new ATOM 0 HG12 ILE A 518 4.753 -15.911 -31.666 1.00 31.11 H new ATOM 0 HG13 ILE A 518 3.373 -15.623 -32.706 1.00 31.11 H new ATOM 0 HG21 ILE A 518 3.282 -18.015 -29.887 1.00 55.04 H new ATOM 0 HG22 ILE A 518 3.686 -19.457 -30.848 1.00 55.04 H new ATOM 0 HG23 ILE A 518 4.939 -18.244 -30.493 1.00 55.04 H new ATOM 0 HD11 ILE A 518 3.105 -14.494 -30.561 1.00 12.34 H new ATOM 0 HD12 ILE A 518 1.865 -15.755 -30.764 1.00 12.34 H new ATOM 0 HD13 ILE A 518 3.267 -16.047 -29.708 1.00 12.34 H new ATOM 271 N GLY A 519 6.601 -18.823 -32.534 1.00 72.40 N ATOM 272 CA GLY A 519 7.993 -18.602 -32.251 1.00 32.34 C ATOM 273 C GLY A 519 8.201 -18.139 -30.832 1.00 43.45 C ATOM 274 O GLY A 519 8.613 -18.923 -29.966 1.00 43.14 O ATOM 0 H GLY A 519 6.269 -19.770 -32.354 1.00 72.40 H new ATOM 0 HA2 GLY A 519 8.550 -19.523 -32.420 1.00 32.34 H new ATOM 0 HA3 GLY A 519 8.392 -17.857 -32.940 1.00 32.34 H new ATOM 278 N ILE A 520 7.878 -16.890 -30.573 1.00 12.54 N ATOM 279 CA ILE A 520 8.045 -16.292 -29.261 1.00 13.05 C ATOM 280 C ILE A 520 6.778 -15.552 -28.932 1.00 31.42 C ATOM 281 O ILE A 520 6.124 -15.018 -29.822 1.00 40.31 O ATOM 282 CB ILE A 520 9.248 -15.272 -29.203 1.00 61.32 C ATOM 283 CG1 ILE A 520 10.568 -15.925 -29.618 1.00 21.04 C ATOM 284 CG2 ILE A 520 9.397 -14.662 -27.808 1.00 31.11 C ATOM 285 CD1 ILE A 520 11.017 -17.040 -28.699 1.00 52.42 C ATOM 0 H ILE A 520 7.489 -16.255 -31.270 1.00 12.54 H new ATOM 0 HA ILE A 520 8.259 -17.089 -28.549 1.00 13.05 H new ATOM 0 HB ILE A 520 9.015 -14.479 -29.913 1.00 61.32 H new ATOM 0 HG12 ILE A 520 10.464 -16.320 -30.629 1.00 21.04 H new ATOM 0 HG13 ILE A 520 11.345 -15.161 -29.652 1.00 21.04 H new ATOM 0 HG21 ILE A 520 10.235 -13.964 -27.803 1.00 31.11 H new ATOM 0 HG22 ILE A 520 8.482 -14.132 -27.543 1.00 31.11 H new ATOM 0 HG23 ILE A 520 9.581 -15.454 -27.082 1.00 31.11 H new ATOM 0 HD11 ILE A 520 11.959 -17.452 -29.060 1.00 52.42 H new ATOM 0 HD12 ILE A 520 11.155 -16.648 -27.691 1.00 52.42 H new ATOM 0 HD13 ILE A 520 10.261 -17.825 -28.683 1.00 52.42 H new ATOM 297 N MET A 521 6.413 -15.568 -27.699 1.00 74.03 N ATOM 298 CA MET A 521 5.272 -14.838 -27.231 1.00 43.33 C ATOM 299 C MET A 521 5.722 -13.804 -26.212 1.00 21.32 C ATOM 300 O MET A 521 6.478 -14.133 -25.287 1.00 22.23 O ATOM 301 CB MET A 521 4.232 -15.790 -26.632 1.00 74.04 C ATOM 302 CG MET A 521 4.806 -16.755 -25.608 1.00 14.55 C ATOM 303 SD MET A 521 3.559 -17.735 -24.769 1.00 40.32 S ATOM 304 CE MET A 521 2.666 -16.466 -23.884 1.00 43.35 C ATOM 0 H MET A 521 6.900 -16.093 -26.972 1.00 74.03 H new ATOM 0 HA MET A 521 4.801 -14.324 -28.069 1.00 43.33 H new ATOM 0 HB2 MET A 521 3.443 -15.203 -26.163 1.00 74.04 H new ATOM 0 HB3 MET A 521 3.769 -16.361 -27.437 1.00 74.04 H new ATOM 0 HG2 MET A 521 5.509 -17.424 -26.105 1.00 14.55 H new ATOM 0 HG3 MET A 521 5.373 -16.191 -24.867 1.00 14.55 H new ATOM 0 HE1 MET A 521 2.055 -16.926 -23.107 1.00 43.35 H new ATOM 0 HE2 MET A 521 3.374 -15.774 -23.427 1.00 43.35 H new ATOM 0 HE3 MET A 521 2.024 -15.923 -24.577 1.00 43.35 H new ATOM 314 N GLU A 522 5.313 -12.570 -26.421 1.00 1.13 N ATOM 315 CA GLU A 522 5.639 -11.462 -25.546 1.00 62.13 C ATOM 316 C GLU A 522 4.472 -11.151 -24.623 1.00 71.52 C ATOM 317 O GLU A 522 3.372 -10.836 -25.087 1.00 52.10 O ATOM 318 CB GLU A 522 5.966 -10.183 -26.347 1.00 10.12 C ATOM 319 CG GLU A 522 7.240 -10.211 -27.188 1.00 51.11 C ATOM 320 CD GLU A 522 7.164 -11.102 -28.411 1.00 54.32 C ATOM 321 OE1 GLU A 522 6.081 -11.202 -29.026 1.00 44.01 O ATOM 322 OE2 GLU A 522 8.189 -11.694 -28.792 1.00 2.33 O ATOM 0 H GLU A 522 4.734 -12.304 -27.218 1.00 1.13 H new ATOM 0 HA GLU A 522 6.514 -11.762 -24.969 1.00 62.13 H new ATOM 0 HB2 GLU A 522 5.126 -9.971 -27.008 1.00 10.12 H new ATOM 0 HB3 GLU A 522 6.038 -9.351 -25.646 1.00 10.12 H new ATOM 0 HG2 GLU A 522 7.472 -9.195 -27.508 1.00 51.11 H new ATOM 0 HG3 GLU A 522 8.067 -10.545 -26.561 1.00 51.11 H new ATOM 329 N VAL A 523 4.699 -11.241 -23.337 1.00 12.03 N ATOM 330 CA VAL A 523 3.668 -10.920 -22.354 1.00 61.13 C ATOM 331 C VAL A 523 4.210 -9.903 -21.375 1.00 20.34 C ATOM 332 O VAL A 523 5.319 -10.070 -20.874 1.00 74.22 O ATOM 333 CB VAL A 523 3.226 -12.174 -21.563 1.00 12.50 C ATOM 334 CG1 VAL A 523 2.132 -11.830 -20.553 1.00 20.34 C ATOM 335 CG2 VAL A 523 2.754 -13.254 -22.507 1.00 65.01 C ATOM 0 H VAL A 523 5.589 -11.534 -22.934 1.00 12.03 H new ATOM 0 HA VAL A 523 2.806 -10.524 -22.891 1.00 61.13 H new ATOM 0 HB VAL A 523 4.089 -12.546 -21.011 1.00 12.50 H new ATOM 0 HG11 VAL A 523 1.841 -12.730 -20.011 1.00 20.34 H new ATOM 0 HG12 VAL A 523 2.508 -11.088 -19.848 1.00 20.34 H new ATOM 0 HG13 VAL A 523 1.266 -11.426 -21.078 1.00 20.34 H new ATOM 0 HG21 VAL A 523 2.447 -14.129 -21.934 1.00 65.01 H new ATOM 0 HG22 VAL A 523 1.909 -12.885 -23.088 1.00 65.01 H new ATOM 0 HG23 VAL A 523 3.566 -13.528 -23.181 1.00 65.01 H new ATOM 345 N LYS A 524 3.464 -8.860 -21.119 1.00 12.43 N ATOM 346 CA LYS A 524 3.890 -7.856 -20.179 1.00 41.34 C ATOM 347 C LYS A 524 3.320 -8.091 -18.811 1.00 65.04 C ATOM 348 O LYS A 524 2.221 -8.645 -18.646 1.00 74.12 O ATOM 349 CB LYS A 524 3.482 -6.468 -20.624 1.00 64.34 C ATOM 350 CG LYS A 524 4.062 -6.052 -21.930 1.00 53.33 C ATOM 351 CD LYS A 524 3.594 -4.678 -22.308 1.00 51.21 C ATOM 352 CE LYS A 524 4.074 -4.325 -23.680 1.00 10.42 C ATOM 353 NZ LYS A 524 3.461 -5.197 -24.720 1.00 13.51 N ATOM 0 H LYS A 524 2.556 -8.683 -21.549 1.00 12.43 H new ATOM 0 HA LYS A 524 4.977 -7.929 -20.139 1.00 41.34 H new ATOM 0 HB2 LYS A 524 2.395 -6.425 -20.692 1.00 64.34 H new ATOM 0 HB3 LYS A 524 3.783 -5.751 -19.860 1.00 64.34 H new ATOM 0 HG2 LYS A 524 5.150 -6.067 -21.871 1.00 53.33 H new ATOM 0 HG3 LYS A 524 3.775 -6.764 -22.704 1.00 53.33 H new ATOM 0 HD2 LYS A 524 2.505 -4.635 -22.274 1.00 51.21 H new ATOM 0 HD3 LYS A 524 3.964 -3.949 -21.587 1.00 51.21 H new ATOM 0 HE2 LYS A 524 3.835 -3.283 -23.892 1.00 10.42 H new ATOM 0 HE3 LYS A 524 5.159 -4.418 -23.721 1.00 10.42 H new ATOM 0 HZ1 LYS A 524 3.534 -4.734 -25.648 1.00 13.51 H new ATOM 0 HZ2 LYS A 524 3.961 -6.109 -24.747 1.00 13.51 H new ATOM 0 HZ3 LYS A 524 2.459 -5.358 -24.492 1.00 13.51 H new ATOM 367 N VAL A 525 4.069 -7.672 -17.842 1.00 43.43 N ATOM 368 CA VAL A 525 3.639 -7.671 -16.485 1.00 73.24 C ATOM 369 C VAL A 525 3.359 -6.225 -16.109 1.00 11.32 C ATOM 370 O VAL A 525 4.265 -5.378 -16.091 1.00 63.51 O ATOM 371 CB VAL A 525 4.692 -8.298 -15.542 1.00 31.15 C ATOM 372 CG1 VAL A 525 4.227 -8.252 -14.097 1.00 14.14 C ATOM 373 CG2 VAL A 525 4.975 -9.731 -15.955 1.00 4.11 C ATOM 0 H VAL A 525 5.015 -7.314 -17.977 1.00 43.43 H new ATOM 0 HA VAL A 525 2.743 -8.282 -16.377 1.00 73.24 H new ATOM 0 HB VAL A 525 5.610 -7.715 -15.622 1.00 31.15 H new ATOM 0 HG11 VAL A 525 4.987 -8.699 -13.456 1.00 14.14 H new ATOM 0 HG12 VAL A 525 4.066 -7.216 -13.800 1.00 14.14 H new ATOM 0 HG13 VAL A 525 3.295 -8.808 -13.997 1.00 14.14 H new ATOM 0 HG21 VAL A 525 5.718 -10.163 -15.284 1.00 4.11 H new ATOM 0 HG22 VAL A 525 4.055 -10.314 -15.901 1.00 4.11 H new ATOM 0 HG23 VAL A 525 5.355 -9.747 -16.976 1.00 4.11 H new ATOM 383 N LEU A 526 2.116 -5.945 -15.873 1.00 53.12 N ATOM 384 CA LEU A 526 1.640 -4.610 -15.606 1.00 20.31 C ATOM 385 C LEU A 526 1.683 -4.328 -14.115 1.00 44.35 C ATOM 386 O LEU A 526 1.722 -5.264 -13.303 1.00 72.43 O ATOM 387 CB LEU A 526 0.212 -4.479 -16.138 1.00 33.33 C ATOM 388 CG LEU A 526 0.031 -4.766 -17.637 1.00 35.24 C ATOM 389 CD1 LEU A 526 -1.433 -4.720 -18.013 1.00 53.13 C ATOM 390 CD2 LEU A 526 0.826 -3.774 -18.482 1.00 72.14 C ATOM 0 H LEU A 526 1.380 -6.651 -15.859 1.00 53.12 H new ATOM 0 HA LEU A 526 2.280 -3.882 -16.106 1.00 20.31 H new ATOM 0 HB2 LEU A 526 -0.429 -5.159 -15.577 1.00 33.33 H new ATOM 0 HB3 LEU A 526 -0.140 -3.468 -15.935 1.00 33.33 H new ATOM 0 HG LEU A 526 0.412 -5.768 -17.837 1.00 35.24 H new ATOM 0 HD11 LEU A 526 -1.542 -4.926 -19.078 1.00 53.13 H new ATOM 0 HD12 LEU A 526 -1.979 -5.470 -17.441 1.00 53.13 H new ATOM 0 HD13 LEU A 526 -1.835 -3.731 -17.791 1.00 53.13 H new ATOM 0 HD21 LEU A 526 0.681 -3.998 -19.539 1.00 72.14 H new ATOM 0 HD22 LEU A 526 0.480 -2.761 -18.275 1.00 72.14 H new ATOM 0 HD23 LEU A 526 1.885 -3.853 -18.236 1.00 72.14 H new ATOM 402 N ARG A 527 1.668 -3.058 -13.752 1.00 12.35 N ATOM 403 CA ARG A 527 1.752 -2.669 -12.360 1.00 72.11 C ATOM 404 C ARG A 527 0.535 -1.823 -12.029 1.00 41.14 C ATOM 405 O ARG A 527 0.465 -0.662 -12.427 1.00 12.53 O ATOM 406 CB ARG A 527 3.012 -1.810 -12.039 1.00 52.12 C ATOM 407 CG ARG A 527 4.364 -2.256 -12.620 1.00 52.43 C ATOM 408 CD ARG A 527 4.489 -1.887 -14.098 1.00 41.43 C ATOM 409 NE ARG A 527 4.212 -0.460 -14.312 1.00 52.32 N ATOM 410 CZ ARG A 527 3.773 0.101 -15.444 1.00 1.54 C ATOM 411 NH1 ARG A 527 3.627 -0.620 -16.559 1.00 65.02 N ATOM 412 NH2 ARG A 527 3.499 1.396 -15.454 1.00 34.11 N ATOM 0 H ARG A 527 1.598 -2.278 -14.406 1.00 12.35 H new ATOM 0 HA ARG A 527 1.808 -3.586 -11.773 1.00 72.11 H new ATOM 0 HB2 ARG A 527 2.820 -0.795 -12.386 1.00 52.12 H new ATOM 0 HB3 ARG A 527 3.115 -1.763 -10.955 1.00 52.12 H new ATOM 0 HG2 ARG A 527 5.174 -1.790 -12.058 1.00 52.43 H new ATOM 0 HG3 ARG A 527 4.473 -3.334 -12.503 1.00 52.43 H new ATOM 0 HD2 ARG A 527 5.493 -2.123 -14.451 1.00 41.43 H new ATOM 0 HD3 ARG A 527 3.795 -2.488 -14.686 1.00 41.43 H new ATOM 0 HE ARG A 527 4.370 0.163 -13.520 1.00 52.32 H new ATOM 0 HH11 ARG A 527 3.852 -1.615 -16.556 1.00 65.02 H new ATOM 0 HH12 ARG A 527 3.291 -0.176 -17.413 1.00 65.02 H new ATOM 0 HH21 ARG A 527 3.624 1.950 -14.607 1.00 34.11 H new ATOM 0 HH22 ARG A 527 3.163 1.840 -16.309 1.00 34.11 H new ATOM 426 N THR A 528 -0.417 -2.392 -11.334 1.00 4.51 N ATOM 427 CA THR A 528 -1.614 -1.670 -10.941 1.00 21.13 C ATOM 428 C THR A 528 -1.244 -0.546 -9.947 1.00 60.44 C ATOM 429 O THR A 528 -1.587 0.623 -10.135 1.00 75.20 O ATOM 430 CB THR A 528 -2.597 -2.639 -10.271 1.00 31.44 C ATOM 431 OG1 THR A 528 -2.620 -3.860 -11.021 1.00 21.51 O ATOM 432 CG2 THR A 528 -3.998 -2.041 -10.225 1.00 4.30 C ATOM 0 H THR A 528 -0.391 -3.363 -11.023 1.00 4.51 H new ATOM 0 HA THR A 528 -2.076 -1.231 -11.825 1.00 21.13 H new ATOM 0 HB THR A 528 -2.273 -2.828 -9.248 1.00 31.44 H new ATOM 0 HG1 THR A 528 -3.244 -4.489 -10.602 1.00 21.51 H new ATOM 0 HG21 THR A 528 -4.679 -2.745 -9.746 1.00 4.30 H new ATOM 0 HG22 THR A 528 -3.978 -1.111 -9.656 1.00 4.30 H new ATOM 0 HG23 THR A 528 -4.341 -1.838 -11.240 1.00 4.30 H new ATOM 440 N SER A 529 -0.535 -0.933 -8.899 1.00 62.14 N ATOM 441 CA SER A 529 -0.096 -0.012 -7.873 1.00 54.54 C ATOM 442 C SER A 529 1.055 0.878 -8.377 1.00 5.33 C ATOM 443 O SER A 529 0.980 2.107 -8.307 1.00 11.34 O ATOM 444 CB SER A 529 0.296 -0.808 -6.612 1.00 10.14 C ATOM 445 OG SER A 529 0.869 0.003 -5.605 1.00 62.12 O ATOM 0 H SER A 529 -0.249 -1.899 -8.739 1.00 62.14 H new ATOM 0 HA SER A 529 -0.914 0.661 -7.617 1.00 54.54 H new ATOM 0 HB2 SER A 529 -0.588 -1.304 -6.212 1.00 10.14 H new ATOM 0 HB3 SER A 529 1.003 -1.590 -6.888 1.00 10.14 H new ATOM 0 HG SER A 529 1.732 -0.374 -5.333 1.00 62.12 H new ATOM 451 N GLY A 530 2.087 0.267 -8.909 1.00 24.32 N ATOM 452 CA GLY A 530 3.227 1.003 -9.384 1.00 53.53 C ATOM 453 C GLY A 530 4.479 0.227 -9.109 1.00 64.21 C ATOM 454 O GLY A 530 4.403 -0.997 -8.941 1.00 1.10 O ATOM 0 H GLY A 530 2.157 -0.744 -9.023 1.00 24.32 H new ATOM 0 HA2 GLY A 530 3.131 1.190 -10.453 1.00 53.53 H new ATOM 0 HA3 GLY A 530 3.275 1.975 -8.893 1.00 53.53 H new ATOM 458 N ALA A 531 5.597 0.916 -9.038 1.00 42.32 N ATOM 459 CA ALA A 531 6.897 0.309 -8.781 1.00 44.03 C ATOM 460 C ALA A 531 7.886 1.397 -8.428 1.00 64.45 C ATOM 461 O ALA A 531 7.863 2.471 -9.048 1.00 75.34 O ATOM 462 CB ALA A 531 7.406 -0.426 -10.020 1.00 55.23 C ATOM 0 H ALA A 531 5.636 1.928 -9.158 1.00 42.32 H new ATOM 0 HA ALA A 531 6.793 -0.403 -7.962 1.00 44.03 H new ATOM 0 HB1 ALA A 531 8.378 -0.871 -9.805 1.00 55.23 H new ATOM 0 HB2 ALA A 531 6.700 -1.210 -10.294 1.00 55.23 H new ATOM 0 HB3 ALA A 531 7.504 0.278 -10.846 1.00 55.23 H new ATOM 468 N ARG A 532 8.703 1.157 -7.426 1.00 52.13 N ATOM 469 CA ARG A 532 9.782 2.050 -7.042 1.00 71.14 C ATOM 470 C ARG A 532 10.910 1.244 -6.476 1.00 32.33 C ATOM 471 O ARG A 532 10.680 0.180 -5.906 1.00 74.00 O ATOM 472 CB ARG A 532 9.375 3.096 -5.994 1.00 21.32 C ATOM 473 CG ARG A 532 8.402 4.140 -6.477 1.00 1.24 C ATOM 474 CD ARG A 532 8.624 5.447 -5.760 1.00 43.23 C ATOM 475 NE ARG A 532 8.468 5.348 -4.296 1.00 35.02 N ATOM 476 CZ ARG A 532 8.981 6.219 -3.412 1.00 50.31 C ATOM 477 NH1 ARG A 532 9.746 7.212 -3.826 1.00 31.40 N ATOM 478 NH2 ARG A 532 8.722 6.084 -2.121 1.00 50.41 N ATOM 0 H ARG A 532 8.638 0.322 -6.843 1.00 52.13 H new ATOM 0 HA ARG A 532 10.071 2.586 -7.946 1.00 71.14 H new ATOM 0 HB2 ARG A 532 8.936 2.580 -5.140 1.00 21.32 H new ATOM 0 HB3 ARG A 532 10.274 3.598 -5.636 1.00 21.32 H new ATOM 0 HG2 ARG A 532 8.519 4.284 -7.551 1.00 1.24 H new ATOM 0 HG3 ARG A 532 7.381 3.797 -6.311 1.00 1.24 H new ATOM 0 HD2 ARG A 532 9.626 5.811 -5.987 1.00 43.23 H new ATOM 0 HD3 ARG A 532 7.921 6.187 -6.143 1.00 43.23 H new ATOM 0 HE ARG A 532 7.932 4.562 -3.929 1.00 35.02 H new ATOM 0 HH11 ARG A 532 9.949 7.319 -4.820 1.00 31.40 H new ATOM 0 HH12 ARG A 532 10.134 7.872 -3.152 1.00 31.40 H new ATOM 0 HH21 ARG A 532 8.132 5.318 -1.797 1.00 50.41 H new ATOM 0 HH22 ARG A 532 9.112 6.746 -1.451 1.00 50.41 H new ATOM 492 N GLY A 533 12.110 1.714 -6.668 1.00 73.10 N ATOM 493 CA GLY A 533 13.261 1.079 -6.063 1.00 34.21 C ATOM 494 C GLY A 533 13.783 -0.051 -6.904 1.00 20.14 C ATOM 495 O GLY A 533 14.140 0.151 -8.060 1.00 53.24 O ATOM 0 H GLY A 533 12.323 2.533 -7.237 1.00 73.10 H new ATOM 0 HA2 GLY A 533 14.049 1.818 -5.918 1.00 34.21 H new ATOM 0 HA3 GLY A 533 12.991 0.703 -5.076 1.00 34.21 H new ATOM 499 N ASN A 534 13.881 -1.214 -6.330 1.00 72.14 N ATOM 500 CA ASN A 534 14.297 -2.390 -7.062 1.00 54.14 C ATOM 501 C ASN A 534 13.424 -3.550 -6.660 1.00 74.31 C ATOM 502 O ASN A 534 13.552 -4.068 -5.559 1.00 64.20 O ATOM 503 CB ASN A 534 15.775 -2.728 -6.813 1.00 61.23 C ATOM 504 CG ASN A 534 16.255 -3.873 -7.696 1.00 63.50 C ATOM 505 OD1 ASN A 534 16.180 -5.038 -7.329 1.00 40.41 O ATOM 506 ND2 ASN A 534 16.763 -3.549 -8.866 1.00 40.31 N ATOM 0 H ASN A 534 13.677 -1.381 -5.345 1.00 72.14 H new ATOM 0 HA ASN A 534 14.189 -2.188 -8.128 1.00 54.14 H new ATOM 0 HB2 ASN A 534 16.386 -1.845 -7.001 1.00 61.23 H new ATOM 0 HB3 ASN A 534 15.914 -2.995 -5.765 1.00 61.23 H new ATOM 0 HD21 ASN A 534 17.106 -4.277 -9.492 1.00 40.31 H new ATOM 0 HD22 ASN A 534 16.813 -2.570 -9.147 1.00 40.31 H new ATOM 513 N VAL A 535 12.507 -3.922 -7.499 1.00 41.43 N ATOM 514 CA VAL A 535 11.611 -5.005 -7.175 1.00 3.03 C ATOM 515 C VAL A 535 11.782 -6.162 -8.153 1.00 60.01 C ATOM 516 O VAL A 535 11.719 -5.991 -9.366 1.00 22.15 O ATOM 517 CB VAL A 535 10.124 -4.542 -7.152 1.00 30.43 C ATOM 518 CG1 VAL A 535 9.200 -5.673 -6.712 1.00 13.34 C ATOM 519 CG2 VAL A 535 9.942 -3.320 -6.253 1.00 41.34 C ATOM 0 H VAL A 535 12.354 -3.497 -8.413 1.00 41.43 H new ATOM 0 HA VAL A 535 11.872 -5.345 -6.173 1.00 3.03 H new ATOM 0 HB VAL A 535 9.853 -4.260 -8.169 1.00 30.43 H new ATOM 0 HG11 VAL A 535 8.169 -5.319 -6.706 1.00 13.34 H new ATOM 0 HG12 VAL A 535 9.293 -6.509 -7.405 1.00 13.34 H new ATOM 0 HG13 VAL A 535 9.477 -6.000 -5.710 1.00 13.34 H new ATOM 0 HG21 VAL A 535 8.894 -3.019 -6.256 1.00 41.34 H new ATOM 0 HG22 VAL A 535 10.245 -3.568 -5.236 1.00 41.34 H new ATOM 0 HG23 VAL A 535 10.556 -2.500 -6.625 1.00 41.34 H new ATOM 529 N ILE A 536 12.022 -7.316 -7.620 1.00 52.33 N ATOM 530 CA ILE A 536 12.155 -8.520 -8.402 1.00 1.00 C ATOM 531 C ILE A 536 10.828 -9.258 -8.415 1.00 22.25 C ATOM 532 O ILE A 536 10.304 -9.621 -7.361 1.00 4.32 O ATOM 533 CB ILE A 536 13.278 -9.453 -7.844 1.00 34.00 C ATOM 534 CG1 ILE A 536 14.675 -8.830 -8.033 1.00 54.22 C ATOM 535 CG2 ILE A 536 13.217 -10.846 -8.465 1.00 62.12 C ATOM 536 CD1 ILE A 536 15.083 -8.616 -9.478 1.00 20.13 C ATOM 0 H ILE A 536 12.134 -7.460 -6.616 1.00 52.33 H new ATOM 0 HA ILE A 536 12.437 -8.238 -9.416 1.00 1.00 H new ATOM 0 HB ILE A 536 13.099 -9.560 -6.774 1.00 34.00 H new ATOM 0 HG12 ILE A 536 14.703 -7.871 -7.516 1.00 54.22 H new ATOM 0 HG13 ILE A 536 15.413 -9.473 -7.553 1.00 54.22 H new ATOM 0 HG21 ILE A 536 14.014 -11.464 -8.051 1.00 62.12 H new ATOM 0 HG22 ILE A 536 12.252 -11.301 -8.243 1.00 62.12 H new ATOM 0 HG23 ILE A 536 13.342 -10.769 -9.545 1.00 62.12 H new ATOM 0 HD11 ILE A 536 16.079 -8.174 -9.513 1.00 20.13 H new ATOM 0 HD12 ILE A 536 15.092 -9.573 -9.999 1.00 20.13 H new ATOM 0 HD13 ILE A 536 14.372 -7.946 -9.962 1.00 20.13 H new ATOM 548 N VAL A 537 10.288 -9.434 -9.586 1.00 42.12 N ATOM 549 CA VAL A 537 9.047 -10.149 -9.794 1.00 53.11 C ATOM 550 C VAL A 537 9.372 -11.493 -10.422 1.00 24.54 C ATOM 551 O VAL A 537 9.739 -11.562 -11.599 1.00 32.44 O ATOM 552 CB VAL A 537 8.106 -9.372 -10.752 1.00 44.53 C ATOM 553 CG1 VAL A 537 6.774 -10.097 -10.924 1.00 42.45 C ATOM 554 CG2 VAL A 537 7.876 -7.974 -10.235 1.00 1.02 C ATOM 0 H VAL A 537 10.702 -9.079 -10.448 1.00 42.12 H new ATOM 0 HA VAL A 537 8.544 -10.268 -8.834 1.00 53.11 H new ATOM 0 HB VAL A 537 8.588 -9.316 -11.728 1.00 44.53 H new ATOM 0 HG11 VAL A 537 6.135 -9.529 -11.600 1.00 42.45 H new ATOM 0 HG12 VAL A 537 6.951 -11.089 -11.339 1.00 42.45 H new ATOM 0 HG13 VAL A 537 6.283 -10.191 -9.955 1.00 42.45 H new ATOM 0 HG21 VAL A 537 7.214 -7.439 -10.916 1.00 1.02 H new ATOM 0 HG22 VAL A 537 7.418 -8.022 -9.247 1.00 1.02 H new ATOM 0 HG23 VAL A 537 8.829 -7.449 -10.168 1.00 1.02 H new ATOM 564 N PRO A 538 9.338 -12.560 -9.644 1.00 60.01 N ATOM 565 CA PRO A 538 9.582 -13.883 -10.159 1.00 71.04 C ATOM 566 C PRO A 538 8.373 -14.426 -10.921 1.00 23.04 C ATOM 567 O PRO A 538 7.224 -14.098 -10.609 1.00 45.41 O ATOM 568 CB PRO A 538 9.861 -14.737 -8.913 1.00 4.40 C ATOM 569 CG PRO A 538 9.740 -13.825 -7.730 1.00 50.43 C ATOM 570 CD PRO A 538 9.076 -12.566 -8.202 1.00 40.54 C ATOM 0 HA PRO A 538 10.408 -13.891 -10.870 1.00 71.04 H new ATOM 0 HB2 PRO A 538 9.150 -15.560 -8.841 1.00 4.40 H new ATOM 0 HB3 PRO A 538 10.856 -15.178 -8.961 1.00 4.40 H new ATOM 0 HG2 PRO A 538 9.154 -14.296 -6.941 1.00 50.43 H new ATOM 0 HG3 PRO A 538 10.722 -13.607 -7.311 1.00 50.43 H new ATOM 0 HD2 PRO A 538 8.007 -12.572 -7.988 1.00 40.54 H new ATOM 0 HD3 PRO A 538 9.494 -11.685 -7.715 1.00 40.54 H new ATOM 578 N TYR A 539 8.635 -15.214 -11.923 1.00 2.03 N ATOM 579 CA TYR A 539 7.603 -15.857 -12.697 1.00 21.10 C ATOM 580 C TYR A 539 8.036 -17.279 -12.963 1.00 73.02 C ATOM 581 O TYR A 539 9.250 -17.576 -12.910 1.00 34.05 O ATOM 582 CB TYR A 539 7.327 -15.108 -14.032 1.00 13.31 C ATOM 583 CG TYR A 539 8.502 -15.043 -14.997 1.00 22.05 C ATOM 584 CD1 TYR A 539 8.746 -16.070 -15.905 1.00 61.40 C ATOM 585 CD2 TYR A 539 9.369 -13.968 -14.990 1.00 62.23 C ATOM 586 CE1 TYR A 539 9.812 -16.021 -16.769 1.00 23.03 C ATOM 587 CE2 TYR A 539 10.446 -13.920 -15.857 1.00 54.53 C ATOM 588 CZ TYR A 539 10.661 -14.941 -16.739 1.00 62.21 C ATOM 589 OH TYR A 539 11.736 -14.882 -17.597 1.00 63.22 O ATOM 0 H TYR A 539 9.582 -15.433 -12.233 1.00 2.03 H new ATOM 0 HA TYR A 539 6.670 -15.841 -12.134 1.00 21.10 H new ATOM 0 HB2 TYR A 539 6.491 -15.594 -14.536 1.00 13.31 H new ATOM 0 HB3 TYR A 539 7.012 -14.091 -13.800 1.00 13.31 H new ATOM 0 HD1 TYR A 539 8.083 -16.922 -15.930 1.00 61.40 H new ATOM 0 HD2 TYR A 539 9.204 -13.155 -14.299 1.00 62.23 H new ATOM 0 HE1 TYR A 539 9.982 -16.827 -17.468 1.00 23.03 H new ATOM 0 HE2 TYR A 539 11.118 -13.074 -15.837 1.00 54.53 H new ATOM 0 HH TYR A 539 12.232 -14.051 -17.444 1.00 63.22 H new ATOM 599 N LYS A 540 7.098 -18.143 -13.252 1.00 45.53 N ATOM 600 CA LYS A 540 7.410 -19.523 -13.517 1.00 21.35 C ATOM 601 C LYS A 540 6.358 -20.151 -14.395 1.00 44.31 C ATOM 602 O LYS A 540 5.145 -19.925 -14.210 1.00 14.43 O ATOM 603 CB LYS A 540 7.609 -20.342 -12.225 1.00 50.41 C ATOM 604 CG LYS A 540 6.377 -20.441 -11.336 1.00 54.12 C ATOM 605 CD LYS A 540 6.635 -21.342 -10.147 1.00 32.53 C ATOM 606 CE LYS A 540 5.383 -21.536 -9.310 1.00 52.01 C ATOM 607 NZ LYS A 540 5.606 -22.456 -8.170 1.00 22.32 N ATOM 0 H LYS A 540 6.106 -17.913 -13.310 1.00 45.53 H new ATOM 0 HA LYS A 540 8.361 -19.537 -14.049 1.00 21.35 H new ATOM 0 HB2 LYS A 540 7.927 -21.349 -12.495 1.00 50.41 H new ATOM 0 HB3 LYS A 540 8.420 -19.895 -11.650 1.00 50.41 H new ATOM 0 HG2 LYS A 540 6.094 -19.447 -10.989 1.00 54.12 H new ATOM 0 HG3 LYS A 540 5.538 -20.828 -11.914 1.00 54.12 H new ATOM 0 HD2 LYS A 540 6.994 -22.310 -10.495 1.00 32.53 H new ATOM 0 HD3 LYS A 540 7.424 -20.913 -9.529 1.00 32.53 H new ATOM 0 HE2 LYS A 540 5.047 -20.570 -8.934 1.00 52.01 H new ATOM 0 HE3 LYS A 540 4.585 -21.928 -9.940 1.00 52.01 H new ATOM 0 HZ1 LYS A 540 4.724 -22.557 -7.628 1.00 22.32 H new ATOM 0 HZ2 LYS A 540 5.902 -23.387 -8.528 1.00 22.32 H new ATOM 0 HZ3 LYS A 540 6.349 -22.070 -7.553 1.00 22.32 H new ATOM 621 N THR A 541 6.817 -20.881 -15.362 1.00 5.44 N ATOM 622 CA THR A 541 5.991 -21.573 -16.284 1.00 40.32 C ATOM 623 C THR A 541 5.447 -22.849 -15.658 1.00 64.24 C ATOM 624 O THR A 541 6.186 -23.613 -15.030 1.00 23.12 O ATOM 625 CB THR A 541 6.814 -21.853 -17.545 1.00 43.22 C ATOM 626 OG1 THR A 541 8.198 -22.049 -17.156 1.00 3.20 O ATOM 627 CG2 THR A 541 6.732 -20.670 -18.495 1.00 44.04 C ATOM 0 H THR A 541 7.814 -21.012 -15.532 1.00 5.44 H new ATOM 0 HA THR A 541 5.126 -20.968 -16.554 1.00 40.32 H new ATOM 0 HB THR A 541 6.425 -22.740 -18.045 1.00 43.22 H new ATOM 0 HG1 THR A 541 8.383 -23.008 -17.076 1.00 3.20 H new ATOM 0 HG21 THR A 541 7.321 -20.879 -19.388 1.00 44.04 H new ATOM 0 HG22 THR A 541 5.693 -20.501 -18.777 1.00 44.04 H new ATOM 0 HG23 THR A 541 7.124 -19.780 -18.003 1.00 44.04 H new ATOM 635 N ILE A 542 4.167 -23.041 -15.784 1.00 63.01 N ATOM 636 CA ILE A 542 3.485 -24.170 -15.209 1.00 65.10 C ATOM 637 C ILE A 542 3.257 -25.202 -16.292 1.00 34.24 C ATOM 638 O ILE A 542 2.602 -24.916 -17.313 1.00 65.13 O ATOM 639 CB ILE A 542 2.109 -23.753 -14.614 1.00 71.42 C ATOM 640 CG1 ILE A 542 2.260 -22.610 -13.590 1.00 62.55 C ATOM 641 CG2 ILE A 542 1.385 -24.951 -13.986 1.00 62.22 C ATOM 642 CD1 ILE A 542 3.132 -22.942 -12.390 1.00 60.10 C ATOM 0 H ILE A 542 3.554 -22.408 -16.298 1.00 63.01 H new ATOM 0 HA ILE A 542 4.100 -24.576 -14.406 1.00 65.10 H new ATOM 0 HB ILE A 542 1.499 -23.386 -15.439 1.00 71.42 H new ATOM 0 HG12 ILE A 542 2.679 -21.740 -14.096 1.00 62.55 H new ATOM 0 HG13 ILE A 542 1.270 -22.326 -13.235 1.00 62.55 H new ATOM 0 HG21 ILE A 542 0.427 -24.625 -13.580 1.00 62.22 H new ATOM 0 HG22 ILE A 542 1.216 -25.714 -14.746 1.00 62.22 H new ATOM 0 HG23 ILE A 542 1.996 -25.367 -13.185 1.00 62.22 H new ATOM 0 HD11 ILE A 542 3.180 -22.079 -11.725 1.00 60.10 H new ATOM 0 HD12 ILE A 542 2.706 -23.790 -11.854 1.00 60.10 H new ATOM 0 HD13 ILE A 542 4.137 -23.195 -12.729 1.00 60.10 H new ATOM 654 N GLU A 543 3.796 -26.364 -16.084 1.00 52.35 N ATOM 655 CA GLU A 543 3.672 -27.451 -17.005 1.00 4.35 C ATOM 656 C GLU A 543 2.266 -28.033 -16.912 1.00 11.00 C ATOM 657 O GLU A 543 1.916 -28.696 -15.930 1.00 50.42 O ATOM 658 CB GLU A 543 4.722 -28.518 -16.686 1.00 5.40 C ATOM 659 CG GLU A 543 6.162 -28.033 -16.803 1.00 74.34 C ATOM 660 CD GLU A 543 7.156 -29.067 -16.331 1.00 31.54 C ATOM 661 OE1 GLU A 543 7.501 -29.989 -17.108 1.00 62.23 O ATOM 662 OE2 GLU A 543 7.596 -28.999 -15.159 1.00 52.33 O ATOM 0 H GLU A 543 4.345 -26.587 -15.254 1.00 52.35 H new ATOM 0 HA GLU A 543 3.839 -27.096 -18.022 1.00 4.35 H new ATOM 0 HB2 GLU A 543 4.555 -28.884 -15.673 1.00 5.40 H new ATOM 0 HB3 GLU A 543 4.580 -29.364 -17.358 1.00 5.40 H new ATOM 0 HG2 GLU A 543 6.373 -27.777 -17.841 1.00 74.34 H new ATOM 0 HG3 GLU A 543 6.284 -27.121 -16.218 1.00 74.34 H new ATOM 669 N GLY A 544 1.455 -27.725 -17.904 1.00 72.44 N ATOM 670 CA GLY A 544 0.110 -28.232 -17.951 1.00 23.34 C ATOM 671 C GLY A 544 0.071 -29.557 -18.657 1.00 2.15 C ATOM 672 O GLY A 544 0.780 -30.484 -18.270 1.00 71.31 O ATOM 0 H GLY A 544 1.710 -27.124 -18.688 1.00 72.44 H new ATOM 0 HA2 GLY A 544 -0.279 -28.341 -16.939 1.00 23.34 H new ATOM 0 HA3 GLY A 544 -0.535 -27.520 -18.466 1.00 23.34 H new ATOM 676 N THR A 545 -0.704 -29.648 -19.713 1.00 44.25 N ATOM 677 CA THR A 545 -0.786 -30.866 -20.488 1.00 71.53 C ATOM 678 C THR A 545 0.342 -30.868 -21.536 1.00 41.44 C ATOM 679 O THR A 545 0.553 -31.839 -22.264 1.00 4.24 O ATOM 680 CB THR A 545 -2.129 -30.907 -21.201 1.00 55.42 C ATOM 681 OG1 THR A 545 -3.096 -30.188 -20.404 1.00 42.23 O ATOM 682 CG2 THR A 545 -2.601 -32.325 -21.333 1.00 20.30 C ATOM 0 H THR A 545 -1.291 -28.888 -20.057 1.00 44.25 H new ATOM 0 HA THR A 545 -0.686 -31.733 -19.835 1.00 71.53 H new ATOM 0 HB THR A 545 -2.022 -30.461 -22.190 1.00 55.42 H new ATOM 0 HG1 THR A 545 -3.967 -30.205 -20.853 1.00 42.23 H new ATOM 0 HG21 THR A 545 -3.563 -32.342 -21.845 1.00 20.30 H new ATOM 0 HG22 THR A 545 -1.874 -32.898 -21.908 1.00 20.30 H new ATOM 0 HG23 THR A 545 -2.709 -32.766 -20.342 1.00 20.30 H new ATOM 690 N ALA A 546 1.028 -29.750 -21.602 1.00 63.22 N ATOM 691 CA ALA A 546 2.140 -29.546 -22.491 1.00 25.30 C ATOM 692 C ALA A 546 3.394 -30.051 -21.824 1.00 45.25 C ATOM 693 O ALA A 546 3.538 -29.900 -20.602 1.00 34.43 O ATOM 694 CB ALA A 546 2.278 -28.057 -22.763 1.00 15.20 C ATOM 0 H ALA A 546 0.819 -28.938 -21.022 1.00 63.22 H new ATOM 0 HA ALA A 546 1.981 -30.080 -23.428 1.00 25.30 H new ATOM 0 HB1 ALA A 546 3.118 -27.886 -23.436 1.00 15.20 H new ATOM 0 HB2 ALA A 546 1.363 -27.685 -23.223 1.00 15.20 H new ATOM 0 HB3 ALA A 546 2.452 -27.530 -21.825 1.00 15.20 H new ATOM 700 N ARG A 547 4.298 -30.630 -22.580 1.00 21.32 N ATOM 701 CA ARG A 547 5.525 -31.092 -22.006 1.00 72.42 C ATOM 702 C ARG A 547 6.427 -29.902 -21.842 1.00 61.41 C ATOM 703 O ARG A 547 6.427 -28.968 -22.673 1.00 22.05 O ATOM 704 CB ARG A 547 6.225 -32.119 -22.854 1.00 42.05 C ATOM 705 CG ARG A 547 5.429 -33.325 -23.227 1.00 25.53 C ATOM 706 CD ARG A 547 4.988 -34.205 -22.066 1.00 74.22 C ATOM 707 NE ARG A 547 4.351 -35.449 -22.580 1.00 51.31 N ATOM 708 CZ ARG A 547 3.582 -36.302 -21.884 1.00 4.34 C ATOM 709 NH1 ARG A 547 3.305 -36.081 -20.610 1.00 41.43 N ATOM 710 NH2 ARG A 547 3.096 -37.384 -22.481 1.00 53.31 N ATOM 0 H ARG A 547 4.202 -30.788 -23.583 1.00 21.32 H new ATOM 0 HA ARG A 547 5.293 -31.572 -21.055 1.00 72.42 H new ATOM 0 HB2 ARG A 547 6.560 -31.634 -23.771 1.00 42.05 H new ATOM 0 HB3 ARG A 547 7.118 -32.450 -22.323 1.00 42.05 H new ATOM 0 HG2 ARG A 547 4.542 -32.999 -23.770 1.00 25.53 H new ATOM 0 HG3 ARG A 547 6.020 -33.930 -23.915 1.00 25.53 H new ATOM 0 HD2 ARG A 547 5.847 -34.457 -21.444 1.00 74.22 H new ATOM 0 HD3 ARG A 547 4.285 -33.662 -21.434 1.00 74.22 H new ATOM 0 HE ARG A 547 4.516 -35.676 -23.561 1.00 51.31 H new ATOM 0 HH11 ARG A 547 3.677 -35.254 -20.143 1.00 41.43 H new ATOM 0 HH12 ARG A 547 2.719 -36.738 -20.094 1.00 41.43 H new ATOM 0 HH21 ARG A 547 3.307 -37.563 -23.463 1.00 53.31 H new ATOM 0 HH22 ARG A 547 2.511 -38.036 -21.958 1.00 53.31 H new ATOM 724 N GLY A 548 7.211 -29.952 -20.853 1.00 31.15 N ATOM 725 CA GLY A 548 7.978 -28.795 -20.470 1.00 65.03 C ATOM 726 C GLY A 548 9.448 -28.918 -20.741 1.00 55.41 C ATOM 727 O GLY A 548 10.004 -30.009 -20.714 1.00 64.32 O ATOM 0 H GLY A 548 7.358 -30.778 -20.272 1.00 31.15 H new ATOM 0 HA2 GLY A 548 7.593 -27.925 -21.002 1.00 65.03 H new ATOM 0 HA3 GLY A 548 7.830 -28.610 -19.406 1.00 65.03 H new ATOM 731 N GLY A 549 10.070 -27.803 -21.031 1.00 12.44 N ATOM 732 CA GLY A 549 11.497 -27.787 -21.208 1.00 51.11 C ATOM 733 C GLY A 549 11.934 -28.072 -22.621 1.00 51.31 C ATOM 734 O GLY A 549 12.786 -28.928 -22.851 1.00 21.21 O ATOM 0 H GLY A 549 9.612 -26.899 -21.149 1.00 12.44 H new ATOM 0 HA2 GLY A 549 11.881 -26.812 -20.908 1.00 51.11 H new ATOM 0 HA3 GLY A 549 11.945 -28.525 -20.542 1.00 51.11 H new ATOM 738 N GLY A 550 11.326 -27.409 -23.573 1.00 55.32 N ATOM 739 CA GLY A 550 11.790 -27.524 -24.931 1.00 73.53 C ATOM 740 C GLY A 550 10.935 -28.405 -25.796 1.00 12.44 C ATOM 741 O GLY A 550 11.294 -28.672 -26.941 1.00 33.42 O ATOM 0 H GLY A 550 10.523 -26.795 -23.437 1.00 55.32 H new ATOM 0 HA2 GLY A 550 11.834 -26.529 -25.375 1.00 73.53 H new ATOM 0 HA3 GLY A 550 12.807 -27.915 -24.925 1.00 73.53 H new ATOM 745 N GLU A 551 9.811 -28.853 -25.286 1.00 35.34 N ATOM 746 CA GLU A 551 8.951 -29.720 -26.072 1.00 51.53 C ATOM 747 C GLU A 551 7.852 -28.906 -26.747 1.00 1.40 C ATOM 748 O GLU A 551 8.004 -28.503 -27.901 1.00 2.24 O ATOM 749 CB GLU A 551 8.368 -30.836 -25.226 1.00 54.13 C ATOM 750 CG GLU A 551 9.402 -31.690 -24.502 1.00 62.51 C ATOM 751 CD GLU A 551 10.456 -32.266 -25.418 1.00 51.32 C ATOM 752 OE1 GLU A 551 10.143 -33.134 -26.253 1.00 55.13 O ATOM 753 OE2 GLU A 551 11.624 -31.851 -25.335 1.00 50.23 O ATOM 0 H GLU A 551 9.471 -28.639 -24.348 1.00 35.34 H new ATOM 0 HA GLU A 551 9.557 -30.187 -26.848 1.00 51.53 H new ATOM 0 HB2 GLU A 551 7.695 -30.401 -24.488 1.00 54.13 H new ATOM 0 HB3 GLU A 551 7.766 -31.482 -25.865 1.00 54.13 H new ATOM 0 HG2 GLU A 551 9.888 -31.086 -23.736 1.00 62.51 H new ATOM 0 HG3 GLU A 551 8.893 -32.506 -23.989 1.00 62.51 H new ATOM 760 N ASP A 552 6.764 -28.648 -26.028 1.00 25.51 N ATOM 761 CA ASP A 552 5.694 -27.781 -26.539 1.00 62.03 C ATOM 762 C ASP A 552 6.153 -26.365 -26.343 1.00 71.41 C ATOM 763 O ASP A 552 6.054 -25.513 -27.220 1.00 43.12 O ATOM 764 CB ASP A 552 4.382 -27.962 -25.744 1.00 12.10 C ATOM 765 CG ASP A 552 3.779 -29.355 -25.780 1.00 34.10 C ATOM 766 OD1 ASP A 552 4.405 -30.292 -25.246 1.00 73.01 O ATOM 767 OD2 ASP A 552 2.631 -29.524 -26.245 1.00 3.33 O ATOM 0 H ASP A 552 6.595 -29.022 -25.094 1.00 25.51 H new ATOM 0 HA ASP A 552 5.500 -28.029 -27.583 1.00 62.03 H new ATOM 0 HB2 ASP A 552 4.568 -27.693 -24.704 1.00 12.10 H new ATOM 0 HB3 ASP A 552 3.645 -27.257 -26.128 1.00 12.10 H new ATOM 772 N PHE A 553 6.692 -26.128 -25.175 1.00 54.33 N ATOM 773 CA PHE A 553 7.194 -24.844 -24.816 1.00 62.24 C ATOM 774 C PHE A 553 8.524 -25.017 -24.124 1.00 11.52 C ATOM 775 O PHE A 553 8.840 -26.112 -23.600 1.00 13.22 O ATOM 776 CB PHE A 553 6.205 -24.103 -23.884 1.00 71.55 C ATOM 777 CG PHE A 553 6.054 -24.697 -22.484 1.00 3.24 C ATOM 778 CD1 PHE A 553 5.246 -25.799 -22.252 1.00 2.14 C ATOM 779 CD2 PHE A 553 6.729 -24.139 -21.406 1.00 30.04 C ATOM 780 CE1 PHE A 553 5.117 -26.327 -20.978 1.00 44.41 C ATOM 781 CE2 PHE A 553 6.601 -24.665 -20.137 1.00 15.20 C ATOM 782 CZ PHE A 553 5.796 -25.757 -19.924 1.00 70.35 C ATOM 0 H PHE A 553 6.792 -26.834 -24.445 1.00 54.33 H new ATOM 0 HA PHE A 553 7.317 -24.245 -25.718 1.00 62.24 H new ATOM 0 HB2 PHE A 553 6.530 -23.067 -23.788 1.00 71.55 H new ATOM 0 HB3 PHE A 553 5.225 -24.087 -24.361 1.00 71.55 H new ATOM 0 HD1 PHE A 553 4.711 -26.251 -23.074 1.00 2.14 H new ATOM 0 HD2 PHE A 553 7.364 -23.280 -21.564 1.00 30.04 H new ATOM 0 HE1 PHE A 553 4.484 -27.186 -20.811 1.00 44.41 H new ATOM 0 HE2 PHE A 553 7.134 -24.218 -19.311 1.00 15.20 H new ATOM 0 HZ PHE A 553 5.695 -26.169 -18.931 1.00 70.35 H new ATOM 792 N GLU A 554 9.309 -23.992 -24.135 1.00 11.11 N ATOM 793 CA GLU A 554 10.554 -23.998 -23.436 1.00 24.00 C ATOM 794 C GLU A 554 10.266 -23.424 -22.058 1.00 43.05 C ATOM 795 O GLU A 554 9.456 -22.498 -21.930 1.00 54.11 O ATOM 796 CB GLU A 554 11.576 -23.150 -24.189 1.00 44.04 C ATOM 797 CG GLU A 554 13.007 -23.683 -24.157 1.00 4.24 C ATOM 798 CD GLU A 554 13.593 -23.781 -22.780 1.00 3.54 C ATOM 799 OE1 GLU A 554 13.359 -24.805 -22.097 1.00 2.24 O ATOM 800 OE2 GLU A 554 14.308 -22.849 -22.368 1.00 54.42 O ATOM 0 H GLU A 554 9.106 -23.123 -24.630 1.00 11.11 H new ATOM 0 HA GLU A 554 10.973 -25.001 -23.354 1.00 24.00 H new ATOM 0 HB2 GLU A 554 11.259 -23.065 -25.229 1.00 44.04 H new ATOM 0 HB3 GLU A 554 11.570 -22.144 -23.770 1.00 44.04 H new ATOM 0 HG2 GLU A 554 13.026 -24.670 -24.620 1.00 4.24 H new ATOM 0 HG3 GLU A 554 13.639 -23.034 -24.764 1.00 4.24 H new ATOM 807 N ASP A 555 10.893 -23.960 -21.058 1.00 63.04 N ATOM 808 CA ASP A 555 10.611 -23.561 -19.693 1.00 32.05 C ATOM 809 C ASP A 555 11.387 -22.329 -19.329 1.00 53.33 C ATOM 810 O ASP A 555 12.588 -22.387 -19.069 1.00 72.14 O ATOM 811 CB ASP A 555 10.908 -24.693 -18.709 1.00 41.14 C ATOM 812 CG ASP A 555 10.771 -24.272 -17.252 1.00 3.30 C ATOM 813 OD1 ASP A 555 9.641 -24.246 -16.729 1.00 21.21 O ATOM 814 OD2 ASP A 555 11.803 -23.994 -16.598 1.00 62.11 O ATOM 0 H ASP A 555 11.610 -24.680 -21.151 1.00 63.04 H new ATOM 0 HA ASP A 555 9.547 -23.332 -19.628 1.00 32.05 H new ATOM 0 HB2 ASP A 555 10.231 -25.524 -18.906 1.00 41.14 H new ATOM 0 HB3 ASP A 555 11.920 -25.059 -18.881 1.00 41.14 H new ATOM 819 N THR A 556 10.730 -21.221 -19.362 1.00 51.40 N ATOM 820 CA THR A 556 11.349 -20.011 -18.994 1.00 43.00 C ATOM 821 C THR A 556 10.738 -19.514 -17.686 1.00 75.34 C ATOM 822 O THR A 556 9.593 -19.066 -17.617 1.00 22.33 O ATOM 823 CB THR A 556 11.315 -18.941 -20.148 1.00 34.13 C ATOM 824 OG1 THR A 556 12.001 -17.733 -19.772 1.00 3.45 O ATOM 825 CG2 THR A 556 9.897 -18.608 -20.590 1.00 74.00 C ATOM 0 H THR A 556 9.754 -21.136 -19.644 1.00 51.40 H new ATOM 0 HA THR A 556 12.411 -20.191 -18.824 1.00 43.00 H new ATOM 0 HB THR A 556 11.835 -19.395 -20.992 1.00 34.13 H new ATOM 0 HG1 THR A 556 11.962 -17.091 -20.512 1.00 3.45 H new ATOM 0 HG21 THR A 556 9.929 -17.866 -21.387 1.00 74.00 H new ATOM 0 HG22 THR A 556 9.408 -19.511 -20.955 1.00 74.00 H new ATOM 0 HG23 THR A 556 9.337 -18.208 -19.745 1.00 74.00 H new ATOM 833 N CYS A 557 11.480 -19.684 -16.653 1.00 54.11 N ATOM 834 CA CYS A 557 11.104 -19.265 -15.352 1.00 21.12 C ATOM 835 C CYS A 557 12.222 -18.415 -14.826 1.00 20.32 C ATOM 836 O CYS A 557 13.394 -18.718 -15.083 1.00 31.03 O ATOM 837 CB CYS A 557 10.857 -20.495 -14.480 1.00 15.35 C ATOM 838 SG CYS A 557 12.180 -21.734 -14.553 1.00 12.24 S ATOM 0 H CYS A 557 12.395 -20.133 -16.691 1.00 54.11 H new ATOM 0 HA CYS A 557 10.181 -18.685 -15.356 1.00 21.12 H new ATOM 0 HB2 CYS A 557 10.731 -20.174 -13.446 1.00 15.35 H new ATOM 0 HB3 CYS A 557 9.920 -20.961 -14.785 1.00 15.35 H new ATOM 0 HG CYS A 557 11.890 -22.626 -15.454 1.00 12.24 H new ATOM 844 N GLY A 558 11.910 -17.358 -14.153 1.00 42.33 N ATOM 845 CA GLY A 558 12.954 -16.505 -13.710 1.00 23.54 C ATOM 846 C GLY A 558 12.462 -15.295 -12.999 1.00 1.34 C ATOM 847 O GLY A 558 11.368 -15.299 -12.428 1.00 41.31 O ATOM 0 H GLY A 558 10.964 -17.071 -13.904 1.00 42.33 H new ATOM 0 HA2 GLY A 558 13.614 -17.064 -13.047 1.00 23.54 H new ATOM 0 HA3 GLY A 558 13.551 -16.196 -14.568 1.00 23.54 H new ATOM 851 N GLU A 559 13.232 -14.262 -13.090 1.00 11.21 N ATOM 852 CA GLU A 559 13.047 -13.058 -12.353 1.00 55.44 C ATOM 853 C GLU A 559 13.019 -11.831 -13.259 1.00 45.34 C ATOM 854 O GLU A 559 13.908 -11.627 -14.076 1.00 12.54 O ATOM 855 CB GLU A 559 14.185 -12.919 -11.309 1.00 13.32 C ATOM 856 CG GLU A 559 15.638 -12.905 -11.869 1.00 42.11 C ATOM 857 CD GLU A 559 16.074 -14.214 -12.528 1.00 31.21 C ATOM 858 OE1 GLU A 559 16.589 -15.111 -11.816 1.00 11.21 O ATOM 859 OE2 GLU A 559 15.878 -14.379 -13.767 1.00 43.13 O ATOM 0 H GLU A 559 14.043 -14.234 -13.708 1.00 11.21 H new ATOM 0 HA GLU A 559 12.081 -13.113 -11.852 1.00 55.44 H new ATOM 0 HB2 GLU A 559 14.025 -11.997 -10.750 1.00 13.32 H new ATOM 0 HB3 GLU A 559 14.100 -13.742 -10.599 1.00 13.32 H new ATOM 0 HG2 GLU A 559 15.726 -12.099 -12.597 1.00 42.11 H new ATOM 0 HG3 GLU A 559 16.326 -12.675 -11.055 1.00 42.11 H new ATOM 866 N LEU A 560 11.983 -11.058 -13.143 1.00 52.50 N ATOM 867 CA LEU A 560 11.882 -9.806 -13.830 1.00 14.34 C ATOM 868 C LEU A 560 12.206 -8.706 -12.869 1.00 64.22 C ATOM 869 O LEU A 560 11.736 -8.708 -11.737 1.00 45.21 O ATOM 870 CB LEU A 560 10.484 -9.603 -14.352 1.00 50.41 C ATOM 871 CG LEU A 560 10.021 -10.601 -15.387 1.00 1.25 C ATOM 872 CD1 LEU A 560 8.560 -10.437 -15.658 1.00 13.44 C ATOM 873 CD2 LEU A 560 10.833 -10.491 -16.666 1.00 52.32 C ATOM 0 H LEU A 560 11.175 -11.281 -12.562 1.00 52.50 H new ATOM 0 HA LEU A 560 12.577 -9.801 -14.670 1.00 14.34 H new ATOM 0 HB2 LEU A 560 9.793 -9.634 -13.510 1.00 50.41 H new ATOM 0 HB3 LEU A 560 10.418 -8.604 -14.782 1.00 50.41 H new ATOM 0 HG LEU A 560 10.183 -11.601 -14.986 1.00 1.25 H new ATOM 0 HD11 LEU A 560 8.245 -11.164 -16.406 1.00 13.44 H new ATOM 0 HD12 LEU A 560 7.999 -10.597 -14.737 1.00 13.44 H new ATOM 0 HD13 LEU A 560 8.370 -9.430 -16.029 1.00 13.44 H new ATOM 0 HD21 LEU A 560 10.474 -11.223 -17.389 1.00 52.32 H new ATOM 0 HD22 LEU A 560 10.725 -9.489 -17.080 1.00 52.32 H new ATOM 0 HD23 LEU A 560 11.884 -10.682 -16.448 1.00 52.32 H new ATOM 885 N GLU A 561 12.981 -7.786 -13.295 1.00 21.21 N ATOM 886 CA GLU A 561 13.375 -6.708 -12.441 1.00 74.02 C ATOM 887 C GLU A 561 12.619 -5.441 -12.782 1.00 64.12 C ATOM 888 O GLU A 561 12.839 -4.829 -13.828 1.00 64.52 O ATOM 889 CB GLU A 561 14.877 -6.454 -12.518 1.00 53.32 C ATOM 890 CG GLU A 561 15.339 -5.368 -11.563 1.00 55.44 C ATOM 891 CD GLU A 561 16.768 -4.986 -11.758 1.00 13.12 C ATOM 892 OE1 GLU A 561 17.058 -4.229 -12.707 1.00 21.04 O ATOM 893 OE2 GLU A 561 17.625 -5.376 -10.934 1.00 4.52 O ATOM 0 H GLU A 561 13.365 -7.747 -14.239 1.00 21.21 H new ATOM 0 HA GLU A 561 13.129 -7.000 -11.420 1.00 74.02 H new ATOM 0 HB2 GLU A 561 15.409 -7.379 -12.295 1.00 53.32 H new ATOM 0 HB3 GLU A 561 15.142 -6.172 -13.537 1.00 53.32 H new ATOM 0 HG2 GLU A 561 14.712 -4.486 -11.695 1.00 55.44 H new ATOM 0 HG3 GLU A 561 15.197 -5.710 -10.538 1.00 55.44 H new ATOM 900 N PHE A 562 11.747 -5.064 -11.923 1.00 74.43 N ATOM 901 CA PHE A 562 11.026 -3.844 -12.055 1.00 60.25 C ATOM 902 C PHE A 562 11.586 -2.862 -11.073 1.00 71.23 C ATOM 903 O PHE A 562 11.360 -2.978 -9.879 1.00 41.23 O ATOM 904 CB PHE A 562 9.528 -4.036 -11.812 1.00 74.34 C ATOM 905 CG PHE A 562 8.783 -4.676 -12.946 1.00 50.45 C ATOM 906 CD1 PHE A 562 8.808 -6.046 -13.147 1.00 64.11 C ATOM 907 CD2 PHE A 562 8.028 -3.895 -13.799 1.00 74.45 C ATOM 908 CE1 PHE A 562 8.094 -6.615 -14.176 1.00 2.33 C ATOM 909 CE2 PHE A 562 7.320 -4.458 -14.827 1.00 71.32 C ATOM 910 CZ PHE A 562 7.349 -5.817 -15.016 1.00 71.04 C ATOM 0 H PHE A 562 11.506 -5.602 -11.090 1.00 74.43 H new ATOM 0 HA PHE A 562 11.137 -3.476 -13.075 1.00 60.25 H new ATOM 0 HB2 PHE A 562 9.395 -4.646 -10.918 1.00 74.34 H new ATOM 0 HB3 PHE A 562 9.080 -3.064 -11.605 1.00 74.34 H new ATOM 0 HD1 PHE A 562 9.393 -6.673 -12.490 1.00 64.11 H new ATOM 0 HD2 PHE A 562 7.996 -2.825 -13.653 1.00 74.45 H new ATOM 0 HE1 PHE A 562 8.117 -7.684 -14.325 1.00 2.33 H new ATOM 0 HE2 PHE A 562 6.739 -3.833 -15.489 1.00 71.32 H new ATOM 0 HZ PHE A 562 6.787 -6.261 -15.824 1.00 71.04 H new ATOM 920 N GLN A 563 12.394 -1.961 -11.548 1.00 31.04 N ATOM 921 CA GLN A 563 12.927 -0.962 -10.679 1.00 42.13 C ATOM 922 C GLN A 563 11.921 0.141 -10.451 1.00 35.31 C ATOM 923 O GLN A 563 11.244 0.166 -9.437 1.00 14.22 O ATOM 924 CB GLN A 563 14.277 -0.435 -11.146 1.00 42.43 C ATOM 925 CG GLN A 563 15.381 -1.446 -10.959 1.00 23.14 C ATOM 926 CD GLN A 563 16.756 -0.895 -11.225 1.00 10.41 C ATOM 927 OE1 GLN A 563 17.015 0.295 -11.052 1.00 62.31 O ATOM 928 NE2 GLN A 563 17.659 -1.753 -11.585 1.00 64.03 N ATOM 0 H GLN A 563 12.694 -1.899 -12.521 1.00 31.04 H new ATOM 0 HA GLN A 563 13.120 -1.436 -9.717 1.00 42.13 H new ATOM 0 HB2 GLN A 563 14.213 -0.160 -12.199 1.00 42.43 H new ATOM 0 HB3 GLN A 563 14.521 0.473 -10.594 1.00 42.43 H new ATOM 0 HG2 GLN A 563 15.343 -1.828 -9.939 1.00 23.14 H new ATOM 0 HG3 GLN A 563 15.203 -2.292 -11.623 1.00 23.14 H new ATOM 0 HE21 GLN A 563 17.407 -2.732 -11.719 1.00 64.03 H new ATOM 0 HE22 GLN A 563 18.621 -1.449 -11.734 1.00 64.03 H new ATOM 937 N ASN A 564 11.796 1.030 -11.384 1.00 61.41 N ATOM 938 CA ASN A 564 10.806 2.057 -11.256 1.00 41.22 C ATOM 939 C ASN A 564 9.637 1.739 -12.189 1.00 73.33 C ATOM 940 O ASN A 564 9.796 1.009 -13.165 1.00 15.20 O ATOM 941 CB ASN A 564 11.393 3.440 -11.559 1.00 11.23 C ATOM 942 CG ASN A 564 10.408 4.572 -11.293 1.00 4.01 C ATOM 943 OD1 ASN A 564 9.610 4.524 -10.362 1.00 22.12 O ATOM 944 ND2 ASN A 564 10.422 5.555 -12.123 1.00 24.14 N ATOM 0 H ASN A 564 12.358 1.069 -12.234 1.00 61.41 H new ATOM 0 HA ASN A 564 10.450 2.083 -10.226 1.00 41.22 H new ATOM 0 HB2 ASN A 564 12.286 3.591 -10.952 1.00 11.23 H new ATOM 0 HB3 ASN A 564 11.707 3.476 -12.602 1.00 11.23 H new ATOM 0 HD21 ASN A 564 9.758 6.322 -12.017 1.00 24.14 H new ATOM 0 HD22 ASN A 564 11.097 5.567 -12.887 1.00 24.14 H new ATOM 951 N ASP A 565 8.489 2.298 -11.889 1.00 43.22 N ATOM 952 CA ASP A 565 7.220 2.111 -12.657 1.00 2.24 C ATOM 953 C ASP A 565 7.316 2.595 -14.123 1.00 4.15 C ATOM 954 O ASP A 565 6.460 2.302 -14.952 1.00 74.44 O ATOM 955 CB ASP A 565 6.082 2.822 -11.919 1.00 12.03 C ATOM 956 CG ASP A 565 4.734 2.730 -12.595 1.00 72.21 C ATOM 957 OD1 ASP A 565 4.137 1.649 -12.616 1.00 42.12 O ATOM 958 OD2 ASP A 565 4.232 3.762 -13.084 1.00 5.13 O ATOM 0 H ASP A 565 8.379 2.918 -11.087 1.00 43.22 H new ATOM 0 HA ASP A 565 7.021 1.041 -12.714 1.00 2.24 H new ATOM 0 HB2 ASP A 565 6.000 2.402 -10.917 1.00 12.03 H new ATOM 0 HB3 ASP A 565 6.344 3.874 -11.803 1.00 12.03 H new ATOM 963 N GLU A 566 8.382 3.305 -14.427 1.00 31.14 N ATOM 964 CA GLU A 566 8.642 3.848 -15.763 1.00 62.12 C ATOM 965 C GLU A 566 8.908 2.731 -16.800 1.00 25.53 C ATOM 966 O GLU A 566 8.963 2.993 -18.011 1.00 14.02 O ATOM 967 CB GLU A 566 9.857 4.781 -15.701 1.00 20.24 C ATOM 968 CG GLU A 566 11.144 4.065 -15.321 1.00 52.15 C ATOM 969 CD GLU A 566 12.294 4.993 -15.085 1.00 64.13 C ATOM 970 OE1 GLU A 566 12.337 5.616 -14.020 1.00 25.53 O ATOM 971 OE2 GLU A 566 13.193 5.084 -15.935 1.00 13.35 O ATOM 0 H GLU A 566 9.110 3.530 -13.749 1.00 31.14 H new ATOM 0 HA GLU A 566 7.754 4.394 -16.081 1.00 62.12 H new ATOM 0 HB2 GLU A 566 9.988 5.261 -16.671 1.00 20.24 H new ATOM 0 HB3 GLU A 566 9.662 5.573 -14.978 1.00 20.24 H new ATOM 0 HG2 GLU A 566 10.971 3.477 -14.420 1.00 52.15 H new ATOM 0 HG3 GLU A 566 11.409 3.365 -16.113 1.00 52.15 H new ATOM 978 N ILE A 567 9.091 1.508 -16.338 1.00 1.30 N ATOM 979 CA ILE A 567 9.382 0.415 -17.227 1.00 74.32 C ATOM 980 C ILE A 567 8.309 -0.644 -17.139 1.00 5.04 C ATOM 981 O ILE A 567 7.568 -0.731 -16.155 1.00 62.04 O ATOM 982 CB ILE A 567 10.761 -0.264 -16.931 1.00 52.34 C ATOM 983 CG1 ILE A 567 10.771 -0.922 -15.542 1.00 53.53 C ATOM 984 CG2 ILE A 567 11.896 0.732 -17.053 1.00 24.35 C ATOM 985 CD1 ILE A 567 12.052 -1.657 -15.216 1.00 50.12 C ATOM 0 H ILE A 567 9.042 1.254 -15.351 1.00 1.30 H new ATOM 0 HA ILE A 567 9.419 0.848 -18.226 1.00 74.32 H new ATOM 0 HB ILE A 567 10.908 -1.045 -17.677 1.00 52.34 H new ATOM 0 HG12 ILE A 567 10.603 -0.154 -14.787 1.00 53.53 H new ATOM 0 HG13 ILE A 567 9.937 -1.621 -15.477 1.00 53.53 H new ATOM 0 HG21 ILE A 567 12.842 0.233 -16.842 1.00 24.35 H new ATOM 0 HG22 ILE A 567 11.917 1.137 -18.065 1.00 24.35 H new ATOM 0 HG23 ILE A 567 11.747 1.543 -16.340 1.00 24.35 H new ATOM 0 HD11 ILE A 567 11.978 -2.092 -14.219 1.00 50.12 H new ATOM 0 HD12 ILE A 567 12.213 -2.449 -15.947 1.00 50.12 H new ATOM 0 HD13 ILE A 567 12.889 -0.960 -15.246 1.00 50.12 H new ATOM 997 N VAL A 568 8.234 -1.426 -18.158 1.00 11.44 N ATOM 998 CA VAL A 568 7.383 -2.559 -18.195 1.00 31.43 C ATOM 999 C VAL A 568 8.242 -3.714 -18.668 1.00 52.34 C ATOM 1000 O VAL A 568 9.166 -3.511 -19.471 1.00 4.34 O ATOM 1001 CB VAL A 568 6.150 -2.357 -19.143 1.00 64.41 C ATOM 1002 CG1 VAL A 568 6.546 -2.242 -20.614 1.00 52.12 C ATOM 1003 CG2 VAL A 568 5.109 -3.449 -18.928 1.00 11.43 C ATOM 0 H VAL A 568 8.778 -1.290 -19.010 1.00 11.44 H new ATOM 0 HA VAL A 568 6.960 -2.743 -17.207 1.00 31.43 H new ATOM 0 HB VAL A 568 5.700 -1.401 -18.873 1.00 64.41 H new ATOM 0 HG11 VAL A 568 5.652 -2.104 -21.222 1.00 52.12 H new ATOM 0 HG12 VAL A 568 7.210 -1.388 -20.746 1.00 52.12 H new ATOM 0 HG13 VAL A 568 7.059 -3.152 -20.925 1.00 52.12 H new ATOM 0 HG21 VAL A 568 4.265 -3.284 -19.598 1.00 11.43 H new ATOM 0 HG22 VAL A 568 5.554 -4.422 -19.137 1.00 11.43 H new ATOM 0 HG23 VAL A 568 4.762 -3.423 -17.895 1.00 11.43 H new ATOM 1013 N LYS A 569 8.024 -4.877 -18.153 1.00 4.53 N ATOM 1014 CA LYS A 569 8.798 -5.988 -18.586 1.00 75.22 C ATOM 1015 C LYS A 569 8.017 -6.966 -19.355 1.00 22.51 C ATOM 1016 O LYS A 569 6.788 -7.054 -19.218 1.00 35.23 O ATOM 1017 CB LYS A 569 9.607 -6.645 -17.503 1.00 72.12 C ATOM 1018 CG LYS A 569 10.813 -5.846 -17.133 1.00 64.54 C ATOM 1019 CD LYS A 569 11.918 -6.765 -16.753 1.00 70.51 C ATOM 1020 CE LYS A 569 13.236 -6.035 -16.660 1.00 63.15 C ATOM 1021 NZ LYS A 569 13.673 -5.522 -17.972 1.00 1.13 N ATOM 0 H LYS A 569 7.324 -5.081 -17.440 1.00 4.53 H new ATOM 0 HA LYS A 569 9.528 -5.552 -19.267 1.00 75.22 H new ATOM 0 HB2 LYS A 569 8.983 -6.786 -16.621 1.00 72.12 H new ATOM 0 HB3 LYS A 569 9.918 -7.636 -17.835 1.00 72.12 H new ATOM 0 HG2 LYS A 569 11.119 -5.219 -17.971 1.00 64.54 H new ATOM 0 HG3 LYS A 569 10.580 -5.178 -16.304 1.00 64.54 H new ATOM 0 HD2 LYS A 569 11.691 -7.232 -15.795 1.00 70.51 H new ATOM 0 HD3 LYS A 569 11.996 -7.566 -17.488 1.00 70.51 H new ATOM 0 HE2 LYS A 569 13.143 -5.206 -15.958 1.00 63.15 H new ATOM 0 HE3 LYS A 569 13.996 -6.707 -16.261 1.00 63.15 H new ATOM 0 HZ1 LYS A 569 14.699 -5.353 -17.954 1.00 1.13 H new ATOM 0 HZ2 LYS A 569 13.450 -6.220 -18.710 1.00 1.13 H new ATOM 0 HZ3 LYS A 569 13.179 -4.630 -18.178 1.00 1.13 H new ATOM 1035 N ILE A 570 8.723 -7.698 -20.157 1.00 25.02 N ATOM 1036 CA ILE A 570 8.134 -8.634 -21.060 1.00 53.25 C ATOM 1037 C ILE A 570 8.721 -10.005 -20.829 1.00 73.25 C ATOM 1038 O ILE A 570 9.922 -10.152 -20.614 1.00 40.13 O ATOM 1039 CB ILE A 570 8.367 -8.210 -22.550 1.00 43.44 C ATOM 1040 CG1 ILE A 570 7.737 -6.834 -22.827 1.00 63.30 C ATOM 1041 CG2 ILE A 570 7.807 -9.252 -23.518 1.00 23.21 C ATOM 1042 CD1 ILE A 570 7.961 -6.316 -24.232 1.00 60.03 C ATOM 0 H ILE A 570 9.741 -7.661 -20.203 1.00 25.02 H new ATOM 0 HA ILE A 570 7.060 -8.654 -20.873 1.00 53.25 H new ATOM 0 HB ILE A 570 9.443 -8.143 -22.710 1.00 43.44 H new ATOM 0 HG12 ILE A 570 6.665 -6.895 -22.642 1.00 63.30 H new ATOM 0 HG13 ILE A 570 8.143 -6.113 -22.118 1.00 63.30 H new ATOM 0 HG21 ILE A 570 7.985 -8.928 -24.544 1.00 23.21 H new ATOM 0 HG22 ILE A 570 8.301 -10.209 -23.349 1.00 23.21 H new ATOM 0 HG23 ILE A 570 6.735 -9.363 -23.353 1.00 23.21 H new ATOM 0 HD11 ILE A 570 7.484 -5.342 -24.341 1.00 60.03 H new ATOM 0 HD12 ILE A 570 9.031 -6.219 -24.418 1.00 60.03 H new ATOM 0 HD13 ILE A 570 7.530 -7.013 -24.950 1.00 60.03 H new ATOM 1054 N ILE A 571 7.872 -10.974 -20.813 1.00 23.51 N ATOM 1055 CA ILE A 571 8.255 -12.348 -20.717 1.00 42.43 C ATOM 1056 C ILE A 571 8.243 -12.904 -22.121 1.00 10.41 C ATOM 1057 O ILE A 571 7.269 -12.707 -22.848 1.00 54.12 O ATOM 1058 CB ILE A 571 7.241 -13.141 -19.861 1.00 64.44 C ATOM 1059 CG1 ILE A 571 7.065 -12.454 -18.503 1.00 24.51 C ATOM 1060 CG2 ILE A 571 7.722 -14.584 -19.681 1.00 22.30 C ATOM 1061 CD1 ILE A 571 5.978 -13.044 -17.650 1.00 20.13 C ATOM 0 H ILE A 571 6.863 -10.833 -20.868 1.00 23.51 H new ATOM 0 HA ILE A 571 9.236 -12.432 -20.250 1.00 42.43 H new ATOM 0 HB ILE A 571 6.277 -13.163 -20.369 1.00 64.44 H new ATOM 0 HG12 ILE A 571 8.007 -12.505 -17.958 1.00 24.51 H new ATOM 0 HG13 ILE A 571 6.849 -11.398 -18.668 1.00 24.51 H new ATOM 0 HG21 ILE A 571 7.001 -15.135 -19.077 1.00 22.30 H new ATOM 0 HG22 ILE A 571 7.817 -15.060 -20.657 1.00 22.30 H new ATOM 0 HG23 ILE A 571 8.691 -14.585 -19.181 1.00 22.30 H new ATOM 0 HD11 ILE A 571 5.920 -12.500 -16.707 1.00 20.13 H new ATOM 0 HD12 ILE A 571 5.024 -12.968 -18.172 1.00 20.13 H new ATOM 0 HD13 ILE A 571 6.200 -14.092 -17.451 1.00 20.13 H new ATOM 1073 N THR A 572 9.310 -13.539 -22.511 1.00 54.23 N ATOM 1074 CA THR A 572 9.402 -14.115 -23.830 1.00 33.55 C ATOM 1075 C THR A 572 9.578 -15.621 -23.749 1.00 30.21 C ATOM 1076 O THR A 572 10.590 -16.121 -23.258 1.00 25.34 O ATOM 1077 CB THR A 572 10.528 -13.443 -24.649 1.00 2.33 C ATOM 1078 OG1 THR A 572 11.706 -13.255 -23.833 1.00 31.32 O ATOM 1079 CG2 THR A 572 10.051 -12.105 -25.181 1.00 11.04 C ATOM 0 H THR A 572 10.138 -13.674 -21.931 1.00 54.23 H new ATOM 0 HA THR A 572 8.466 -13.926 -24.356 1.00 33.55 H new ATOM 0 HB THR A 572 10.784 -14.093 -25.486 1.00 2.33 H new ATOM 0 HG1 THR A 572 12.409 -12.830 -24.367 1.00 31.32 H new ATOM 0 HG21 THR A 572 10.849 -11.637 -25.757 1.00 11.04 H new ATOM 0 HG22 THR A 572 9.182 -12.257 -25.822 1.00 11.04 H new ATOM 0 HG23 THR A 572 9.778 -11.458 -24.347 1.00 11.04 H new ATOM 1087 N ILE A 573 8.574 -16.337 -24.190 1.00 64.34 N ATOM 1088 CA ILE A 573 8.585 -17.787 -24.118 1.00 21.43 C ATOM 1089 C ILE A 573 8.808 -18.372 -25.498 1.00 22.11 C ATOM 1090 O ILE A 573 8.214 -17.899 -26.478 1.00 5.54 O ATOM 1091 CB ILE A 573 7.233 -18.335 -23.572 1.00 63.04 C ATOM 1092 CG1 ILE A 573 6.860 -17.643 -22.257 1.00 61.04 C ATOM 1093 CG2 ILE A 573 7.297 -19.856 -23.374 1.00 35.44 C ATOM 1094 CD1 ILE A 573 5.499 -18.033 -21.733 1.00 25.23 C ATOM 0 H ILE A 573 7.731 -15.941 -24.606 1.00 64.34 H new ATOM 0 HA ILE A 573 9.391 -18.076 -23.443 1.00 21.43 H new ATOM 0 HB ILE A 573 6.461 -18.118 -24.310 1.00 63.04 H new ATOM 0 HG12 ILE A 573 7.612 -17.882 -21.505 1.00 61.04 H new ATOM 0 HG13 ILE A 573 6.888 -16.563 -22.404 1.00 61.04 H new ATOM 0 HG21 ILE A 573 6.341 -20.214 -22.992 1.00 35.44 H new ATOM 0 HG22 ILE A 573 7.510 -20.338 -24.328 1.00 35.44 H new ATOM 0 HG23 ILE A 573 8.086 -20.097 -22.661 1.00 35.44 H new ATOM 0 HD11 ILE A 573 5.303 -17.504 -20.800 1.00 25.23 H new ATOM 0 HD12 ILE A 573 4.737 -17.769 -22.467 1.00 25.23 H new ATOM 0 HD13 ILE A 573 5.473 -19.108 -21.553 1.00 25.23 H new ATOM 1106 N ARG A 574 9.675 -19.362 -25.578 1.00 54.11 N ATOM 1107 CA ARG A 574 9.896 -20.088 -26.808 1.00 13.45 C ATOM 1108 C ARG A 574 8.796 -21.109 -26.987 1.00 72.10 C ATOM 1109 O ARG A 574 8.680 -22.061 -26.199 1.00 72.44 O ATOM 1110 CB ARG A 574 11.262 -20.775 -26.822 1.00 4.32 C ATOM 1111 CG ARG A 574 12.441 -19.841 -26.950 1.00 73.21 C ATOM 1112 CD ARG A 574 13.754 -20.590 -26.851 1.00 5.14 C ATOM 1113 NE ARG A 574 14.904 -19.691 -27.008 1.00 10.13 N ATOM 1114 CZ ARG A 574 16.011 -19.711 -26.253 1.00 41.30 C ATOM 1115 NH1 ARG A 574 16.146 -20.601 -25.274 1.00 62.42 N ATOM 1116 NH2 ARG A 574 16.980 -18.832 -26.483 1.00 65.43 N ATOM 0 H ARG A 574 10.243 -19.683 -24.794 1.00 54.11 H new ATOM 0 HA ARG A 574 9.882 -19.377 -27.634 1.00 13.45 H new ATOM 0 HB2 ARG A 574 11.372 -21.352 -25.904 1.00 4.32 H new ATOM 0 HB3 ARG A 574 11.287 -21.484 -27.649 1.00 4.32 H new ATOM 0 HG2 ARG A 574 12.390 -19.318 -27.905 1.00 73.21 H new ATOM 0 HG3 ARG A 574 12.393 -19.083 -26.168 1.00 73.21 H new ATOM 0 HD2 ARG A 574 13.814 -21.093 -25.886 1.00 5.14 H new ATOM 0 HD3 ARG A 574 13.790 -21.365 -27.617 1.00 5.14 H new ATOM 0 HE ARG A 574 14.857 -18.995 -27.752 1.00 10.13 H new ATOM 0 HH11 ARG A 574 15.403 -21.276 -25.093 1.00 62.42 H new ATOM 0 HH12 ARG A 574 16.992 -20.608 -24.705 1.00 62.42 H new ATOM 0 HH21 ARG A 574 16.879 -18.146 -27.231 1.00 65.43 H new ATOM 0 HH22 ARG A 574 17.825 -18.843 -25.911 1.00 65.43 H new ATOM 1130 N ILE A 575 7.979 -20.880 -27.973 1.00 14.40 N ATOM 1131 CA ILE A 575 6.871 -21.743 -28.285 1.00 51.25 C ATOM 1132 C ILE A 575 7.253 -22.619 -29.448 1.00 14.33 C ATOM 1133 O ILE A 575 7.779 -22.127 -30.465 1.00 14.40 O ATOM 1134 CB ILE A 575 5.607 -20.919 -28.650 1.00 4.14 C ATOM 1135 CG1 ILE A 575 5.154 -20.046 -27.464 1.00 4.41 C ATOM 1136 CG2 ILE A 575 4.475 -21.821 -29.126 1.00 21.42 C ATOM 1137 CD1 ILE A 575 4.775 -20.828 -26.215 1.00 1.24 C ATOM 0 H ILE A 575 8.063 -20.076 -28.595 1.00 14.40 H new ATOM 0 HA ILE A 575 6.639 -22.350 -27.410 1.00 51.25 H new ATOM 0 HB ILE A 575 5.872 -20.257 -29.474 1.00 4.14 H new ATOM 0 HG12 ILE A 575 5.956 -19.351 -27.213 1.00 4.41 H new ATOM 0 HG13 ILE A 575 4.299 -19.447 -27.776 1.00 4.41 H new ATOM 0 HG21 ILE A 575 3.605 -21.213 -29.374 1.00 21.42 H new ATOM 0 HG22 ILE A 575 4.796 -22.372 -30.010 1.00 21.42 H new ATOM 0 HG23 ILE A 575 4.213 -22.524 -28.335 1.00 21.42 H new ATOM 0 HD11 ILE A 575 4.469 -20.135 -25.431 1.00 1.24 H new ATOM 0 HD12 ILE A 575 3.951 -21.503 -26.445 1.00 1.24 H new ATOM 0 HD13 ILE A 575 5.633 -21.406 -25.873 1.00 1.24 H new ATOM 1149 N PHE A 576 7.026 -23.886 -29.316 1.00 53.33 N ATOM 1150 CA PHE A 576 7.375 -24.805 -30.344 1.00 40.04 C ATOM 1151 C PHE A 576 6.123 -25.410 -30.927 1.00 64.22 C ATOM 1152 O PHE A 576 5.094 -25.491 -30.264 1.00 64.03 O ATOM 1153 CB PHE A 576 8.305 -25.883 -29.803 1.00 52.21 C ATOM 1154 CG PHE A 576 9.535 -25.324 -29.144 1.00 2.13 C ATOM 1155 CD1 PHE A 576 10.523 -24.709 -29.892 1.00 64.04 C ATOM 1156 CD2 PHE A 576 9.689 -25.393 -27.775 1.00 73.33 C ATOM 1157 CE1 PHE A 576 11.644 -24.180 -29.284 1.00 63.15 C ATOM 1158 CE2 PHE A 576 10.802 -24.867 -27.167 1.00 50.22 C ATOM 1159 CZ PHE A 576 11.782 -24.260 -27.920 1.00 33.12 C ATOM 0 H PHE A 576 6.595 -24.309 -28.494 1.00 53.33 H new ATOM 0 HA PHE A 576 7.907 -24.276 -31.135 1.00 40.04 H new ATOM 0 HB2 PHE A 576 7.762 -26.496 -29.084 1.00 52.21 H new ATOM 0 HB3 PHE A 576 8.604 -26.540 -30.620 1.00 52.21 H new ATOM 0 HD1 PHE A 576 10.416 -24.642 -30.965 1.00 64.04 H new ATOM 0 HD2 PHE A 576 8.926 -25.866 -27.175 1.00 73.33 H new ATOM 0 HE1 PHE A 576 12.410 -23.705 -29.879 1.00 63.15 H new ATOM 0 HE2 PHE A 576 10.909 -24.930 -26.094 1.00 50.22 H new ATOM 0 HZ PHE A 576 12.657 -23.848 -27.439 1.00 33.12 H new ATOM 1308 N CYS A 585 -3.316 -27.730 -26.983 1.00 60.31 N ATOM 1309 CA CYS A 585 -2.461 -27.817 -25.843 1.00 33.11 C ATOM 1310 C CYS A 585 -2.355 -26.501 -25.092 1.00 41.35 C ATOM 1311 O CYS A 585 -2.349 -25.424 -25.690 1.00 71.53 O ATOM 1312 CB CYS A 585 -1.095 -28.315 -26.316 1.00 32.03 C ATOM 1313 SG CYS A 585 -0.020 -28.938 -25.029 1.00 61.51 S ATOM 0 HA CYS A 585 -2.887 -28.520 -25.127 1.00 33.11 H new ATOM 0 HB2 CYS A 585 -1.249 -29.105 -27.051 1.00 32.03 H new ATOM 0 HB3 CYS A 585 -0.586 -27.498 -26.828 1.00 32.03 H new ATOM 0 HG CYS A 585 1.033 -29.479 -25.567 1.00 61.51 H new ATOM 1319 N SER A 586 -2.319 -26.584 -23.787 1.00 3.54 N ATOM 1320 CA SER A 586 -2.220 -25.423 -22.975 1.00 70.31 C ATOM 1321 C SER A 586 -1.337 -25.660 -21.751 1.00 1.13 C ATOM 1322 O SER A 586 -1.238 -26.795 -21.231 1.00 73.12 O ATOM 1323 CB SER A 586 -3.623 -24.963 -22.566 1.00 70.32 C ATOM 1324 OG SER A 586 -4.357 -26.016 -21.949 1.00 63.21 O ATOM 0 H SER A 586 -2.358 -27.462 -23.269 1.00 3.54 H new ATOM 0 HA SER A 586 -1.742 -24.635 -23.557 1.00 70.31 H new ATOM 0 HB2 SER A 586 -3.545 -24.121 -21.879 1.00 70.32 H new ATOM 0 HB3 SER A 586 -4.162 -24.609 -23.445 1.00 70.32 H new ATOM 0 HG SER A 586 -5.247 -25.691 -21.698 1.00 63.21 H new ATOM 1330 N PHE A 587 -0.669 -24.618 -21.342 1.00 73.14 N ATOM 1331 CA PHE A 587 0.110 -24.595 -20.126 1.00 72.21 C ATOM 1332 C PHE A 587 -0.174 -23.270 -19.441 1.00 23.21 C ATOM 1333 O PHE A 587 -0.953 -22.477 -19.955 1.00 40.44 O ATOM 1334 CB PHE A 587 1.622 -24.787 -20.401 1.00 22.31 C ATOM 1335 CG PHE A 587 2.284 -23.712 -21.231 1.00 71.13 C ATOM 1336 CD1 PHE A 587 2.249 -23.768 -22.608 1.00 54.10 C ATOM 1337 CD2 PHE A 587 2.959 -22.659 -20.626 1.00 15.32 C ATOM 1338 CE1 PHE A 587 2.864 -22.800 -23.369 1.00 51.22 C ATOM 1339 CE2 PHE A 587 3.578 -21.690 -21.383 1.00 62.53 C ATOM 1340 CZ PHE A 587 3.528 -21.762 -22.760 1.00 30.14 C ATOM 0 H PHE A 587 -0.648 -23.737 -21.855 1.00 73.14 H new ATOM 0 HA PHE A 587 -0.174 -25.427 -19.481 1.00 72.21 H new ATOM 0 HB2 PHE A 587 2.140 -24.851 -19.444 1.00 22.31 H new ATOM 0 HB3 PHE A 587 1.761 -25.744 -20.903 1.00 22.31 H new ATOM 0 HD1 PHE A 587 1.733 -24.582 -23.096 1.00 54.10 H new ATOM 0 HD2 PHE A 587 2.999 -22.600 -19.548 1.00 15.32 H new ATOM 0 HE1 PHE A 587 2.825 -22.856 -24.447 1.00 51.22 H new ATOM 0 HE2 PHE A 587 4.101 -20.877 -20.901 1.00 62.53 H new ATOM 0 HZ PHE A 587 4.010 -21.003 -23.359 1.00 30.14 H new ATOM 1350 N SER A 588 0.416 -23.007 -18.317 1.00 1.22 N ATOM 1351 CA SER A 588 0.152 -21.761 -17.660 1.00 43.43 C ATOM 1352 C SER A 588 1.449 -21.080 -17.264 1.00 33.34 C ATOM 1353 O SER A 588 2.518 -21.663 -17.356 1.00 75.03 O ATOM 1354 CB SER A 588 -0.753 -21.973 -16.439 1.00 55.13 C ATOM 1355 OG SER A 588 -1.950 -22.650 -16.795 1.00 14.32 O ATOM 0 H SER A 588 1.073 -23.625 -17.840 1.00 1.22 H new ATOM 0 HA SER A 588 -0.372 -21.109 -18.358 1.00 43.43 H new ATOM 0 HB2 SER A 588 -0.218 -22.548 -15.683 1.00 55.13 H new ATOM 0 HB3 SER A 588 -0.997 -21.009 -15.993 1.00 55.13 H new ATOM 0 HG SER A 588 -2.506 -22.773 -15.997 1.00 14.32 H new ATOM 1361 N LEU A 589 1.343 -19.858 -16.879 1.00 13.11 N ATOM 1362 CA LEU A 589 2.441 -19.072 -16.402 1.00 11.01 C ATOM 1363 C LEU A 589 1.917 -18.223 -15.276 1.00 72.52 C ATOM 1364 O LEU A 589 0.836 -17.653 -15.389 1.00 2.24 O ATOM 1365 CB LEU A 589 2.999 -18.196 -17.539 1.00 63.03 C ATOM 1366 CG LEU A 589 4.054 -17.143 -17.161 1.00 72.21 C ATOM 1367 CD1 LEU A 589 5.276 -17.771 -16.553 1.00 14.45 C ATOM 1368 CD2 LEU A 589 4.457 -16.354 -18.362 1.00 34.44 C ATOM 0 H LEU A 589 0.457 -19.352 -16.885 1.00 13.11 H new ATOM 0 HA LEU A 589 3.256 -19.705 -16.052 1.00 11.01 H new ATOM 0 HB2 LEU A 589 3.433 -18.855 -18.291 1.00 63.03 H new ATOM 0 HB3 LEU A 589 2.162 -17.681 -18.011 1.00 63.03 H new ATOM 0 HG LEU A 589 3.599 -16.485 -16.421 1.00 72.21 H new ATOM 0 HD11 LEU A 589 5.997 -16.994 -16.300 1.00 14.45 H new ATOM 0 HD12 LEU A 589 4.995 -18.313 -15.650 1.00 14.45 H new ATOM 0 HD13 LEU A 589 5.723 -18.462 -17.267 1.00 14.45 H new ATOM 0 HD21 LEU A 589 5.204 -15.613 -18.077 1.00 34.44 H new ATOM 0 HD22 LEU A 589 4.878 -17.023 -19.113 1.00 34.44 H new ATOM 0 HD23 LEU A 589 3.584 -15.848 -18.775 1.00 34.44 H new ATOM 1380 N VAL A 590 2.623 -18.189 -14.187 1.00 54.13 N ATOM 1381 CA VAL A 590 2.207 -17.408 -13.045 1.00 34.22 C ATOM 1382 C VAL A 590 3.333 -16.541 -12.559 1.00 61.40 C ATOM 1383 O VAL A 590 4.512 -16.809 -12.857 1.00 22.02 O ATOM 1384 CB VAL A 590 1.708 -18.275 -11.852 1.00 35.13 C ATOM 1385 CG1 VAL A 590 0.456 -19.047 -12.214 1.00 60.10 C ATOM 1386 CG2 VAL A 590 2.795 -19.220 -11.364 1.00 13.31 C ATOM 0 H VAL A 590 3.499 -18.695 -14.058 1.00 54.13 H new ATOM 0 HA VAL A 590 1.371 -16.802 -13.394 1.00 34.22 H new ATOM 0 HB VAL A 590 1.460 -17.593 -11.039 1.00 35.13 H new ATOM 0 HG11 VAL A 590 0.135 -19.642 -11.359 1.00 60.10 H new ATOM 0 HG12 VAL A 590 -0.335 -18.349 -12.488 1.00 60.10 H new ATOM 0 HG13 VAL A 590 0.666 -19.707 -13.056 1.00 60.10 H new ATOM 0 HG21 VAL A 590 2.416 -19.811 -10.531 1.00 13.31 H new ATOM 0 HG22 VAL A 590 3.091 -19.885 -12.176 1.00 13.31 H new ATOM 0 HG23 VAL A 590 3.659 -18.642 -11.035 1.00 13.31 H new ATOM 1396 N LEU A 591 2.975 -15.520 -11.839 1.00 15.25 N ATOM 1397 CA LEU A 591 3.914 -14.649 -11.217 1.00 2.12 C ATOM 1398 C LEU A 591 3.964 -15.054 -9.762 1.00 2.21 C ATOM 1399 O LEU A 591 2.957 -15.530 -9.218 1.00 3.44 O ATOM 1400 CB LEU A 591 3.434 -13.201 -11.338 1.00 21.31 C ATOM 1401 CG LEU A 591 3.285 -12.634 -12.746 1.00 4.42 C ATOM 1402 CD1 LEU A 591 2.518 -11.324 -12.708 1.00 33.42 C ATOM 1403 CD2 LEU A 591 4.648 -12.420 -13.374 1.00 15.40 C ATOM 0 H LEU A 591 2.002 -15.268 -11.667 1.00 15.25 H new ATOM 0 HA LEU A 591 4.896 -14.718 -11.684 1.00 2.12 H new ATOM 0 HB2 LEU A 591 2.469 -13.122 -10.837 1.00 21.31 H new ATOM 0 HB3 LEU A 591 4.131 -12.567 -10.790 1.00 21.31 H new ATOM 0 HG LEU A 591 2.728 -13.350 -13.351 1.00 4.42 H new ATOM 0 HD11 LEU A 591 2.419 -10.931 -13.720 1.00 33.42 H new ATOM 0 HD12 LEU A 591 1.527 -11.495 -12.287 1.00 33.42 H new ATOM 0 HD13 LEU A 591 3.056 -10.605 -12.090 1.00 33.42 H new ATOM 0 HD21 LEU A 591 4.526 -12.015 -14.379 1.00 15.40 H new ATOM 0 HD22 LEU A 591 5.222 -11.720 -12.768 1.00 15.40 H new ATOM 0 HD23 LEU A 591 5.177 -13.371 -13.428 1.00 15.40 H new ATOM 1415 N GLU A 592 5.087 -14.916 -9.154 1.00 23.42 N ATOM 1416 CA GLU A 592 5.246 -15.263 -7.766 1.00 1.03 C ATOM 1417 C GLU A 592 5.311 -13.992 -6.937 1.00 73.12 C ATOM 1418 O GLU A 592 5.261 -12.893 -7.501 1.00 21.22 O ATOM 1419 CB GLU A 592 6.511 -16.090 -7.575 1.00 24.33 C ATOM 1420 CG GLU A 592 6.519 -17.400 -8.348 1.00 62.32 C ATOM 1421 CD GLU A 592 7.771 -18.192 -8.106 1.00 15.11 C ATOM 1422 OE1 GLU A 592 7.827 -18.953 -7.116 1.00 62.41 O ATOM 1423 OE2 GLU A 592 8.724 -18.069 -8.874 1.00 55.34 O ATOM 0 H GLU A 592 5.933 -14.558 -9.597 1.00 23.42 H new ATOM 0 HA GLU A 592 4.395 -15.860 -7.439 1.00 1.03 H new ATOM 0 HB2 GLU A 592 7.371 -15.495 -7.881 1.00 24.33 H new ATOM 0 HB3 GLU A 592 6.634 -16.306 -6.514 1.00 24.33 H new ATOM 0 HG2 GLU A 592 5.653 -17.996 -8.060 1.00 62.32 H new ATOM 0 HG3 GLU A 592 6.423 -17.192 -9.414 1.00 62.32 H new ATOM 1430 N GLU A 593 5.409 -14.135 -5.615 1.00 60.23 N ATOM 1431 CA GLU A 593 5.492 -12.987 -4.714 1.00 34.05 C ATOM 1432 C GLU A 593 6.747 -12.171 -5.028 1.00 74.15 C ATOM 1433 O GLU A 593 7.870 -12.696 -4.946 1.00 71.12 O ATOM 1434 CB GLU A 593 5.540 -13.435 -3.244 1.00 4.12 C ATOM 1435 CG GLU A 593 4.333 -14.230 -2.759 1.00 3.13 C ATOM 1436 CD GLU A 593 3.030 -13.476 -2.869 1.00 41.35 C ATOM 1437 OE1 GLU A 593 2.802 -12.508 -2.093 1.00 63.54 O ATOM 1438 OE2 GLU A 593 2.189 -13.839 -3.713 1.00 72.44 O ATOM 0 H GLU A 593 5.433 -15.039 -5.143 1.00 60.23 H new ATOM 0 HA GLU A 593 4.601 -12.378 -4.865 1.00 34.05 H new ATOM 0 HB2 GLU A 593 6.435 -14.040 -3.096 1.00 4.12 H new ATOM 0 HB3 GLU A 593 5.646 -12.550 -2.616 1.00 4.12 H new ATOM 0 HG2 GLU A 593 4.260 -15.152 -3.336 1.00 3.13 H new ATOM 0 HG3 GLU A 593 4.491 -14.517 -1.719 1.00 3.13 H new ATOM 1445 N PRO A 594 6.588 -10.899 -5.425 1.00 72.24 N ATOM 1446 CA PRO A 594 7.705 -10.043 -5.749 1.00 30.22 C ATOM 1447 C PRO A 594 8.466 -9.636 -4.505 1.00 53.14 C ATOM 1448 O PRO A 594 7.932 -9.651 -3.393 1.00 73.41 O ATOM 1449 CB PRO A 594 7.051 -8.829 -6.400 1.00 50.25 C ATOM 1450 CG PRO A 594 5.708 -8.780 -5.792 1.00 13.30 C ATOM 1451 CD PRO A 594 5.305 -10.202 -5.597 1.00 15.11 C ATOM 0 HA PRO A 594 8.434 -10.535 -6.394 1.00 30.22 H new ATOM 0 HB2 PRO A 594 7.613 -7.917 -6.200 1.00 50.25 H new ATOM 0 HB3 PRO A 594 6.995 -8.938 -7.483 1.00 50.25 H new ATOM 0 HG2 PRO A 594 5.726 -8.244 -4.843 1.00 13.30 H new ATOM 0 HG3 PRO A 594 5.003 -8.258 -6.439 1.00 13.30 H new ATOM 0 HD2 PRO A 594 4.663 -10.322 -4.725 1.00 15.11 H new ATOM 0 HD3 PRO A 594 4.752 -10.584 -6.455 1.00 15.11 H new ATOM 1459 N LYS A 595 9.692 -9.290 -4.681 1.00 23.31 N ATOM 1460 CA LYS A 595 10.523 -8.911 -3.581 1.00 31.25 C ATOM 1461 C LYS A 595 11.213 -7.589 -3.857 1.00 1.30 C ATOM 1462 O LYS A 595 11.858 -7.421 -4.889 1.00 53.03 O ATOM 1463 CB LYS A 595 11.506 -10.051 -3.248 1.00 30.53 C ATOM 1464 CG LYS A 595 12.392 -10.503 -4.416 1.00 14.13 C ATOM 1465 CD LYS A 595 13.011 -11.878 -4.168 1.00 52.30 C ATOM 1466 CE LYS A 595 11.933 -12.968 -4.183 1.00 62.15 C ATOM 1467 NZ LYS A 595 12.457 -14.319 -3.892 1.00 23.55 N ATOM 0 H LYS A 595 10.153 -9.260 -5.590 1.00 23.31 H new ATOM 0 HA LYS A 595 9.907 -8.751 -2.696 1.00 31.25 H new ATOM 0 HB2 LYS A 595 12.148 -9.729 -2.428 1.00 30.53 H new ATOM 0 HB3 LYS A 595 10.937 -10.909 -2.890 1.00 30.53 H new ATOM 0 HG2 LYS A 595 11.799 -10.532 -5.330 1.00 14.13 H new ATOM 0 HG3 LYS A 595 13.185 -9.772 -4.573 1.00 14.13 H new ATOM 0 HD2 LYS A 595 13.759 -12.089 -4.932 1.00 52.30 H new ATOM 0 HD3 LYS A 595 13.526 -11.882 -3.208 1.00 52.30 H new ATOM 0 HE2 LYS A 595 11.165 -12.719 -3.450 1.00 62.15 H new ATOM 0 HE3 LYS A 595 11.450 -12.977 -5.160 1.00 62.15 H new ATOM 0 HZ1 LYS A 595 11.677 -15.007 -3.918 1.00 23.55 H new ATOM 0 HZ2 LYS A 595 13.169 -14.576 -4.605 1.00 23.55 H new ATOM 0 HZ3 LYS A 595 12.894 -14.326 -2.948 1.00 23.55 H new ATOM 1481 N TRP A 596 11.019 -6.651 -2.970 1.00 11.31 N ATOM 1482 CA TRP A 596 11.609 -5.339 -3.088 1.00 74.34 C ATOM 1483 C TRP A 596 12.943 -5.384 -2.395 1.00 23.34 C ATOM 1484 O TRP A 596 13.021 -5.709 -1.211 1.00 40.43 O ATOM 1485 CB TRP A 596 10.687 -4.286 -2.412 1.00 50.33 C ATOM 1486 CG TRP A 596 11.047 -2.821 -2.598 1.00 21.51 C ATOM 1487 CD1 TRP A 596 12.285 -2.267 -2.767 1.00 42.24 C ATOM 1488 CD2 TRP A 596 10.123 -1.723 -2.591 1.00 12.45 C ATOM 1489 NE1 TRP A 596 12.188 -0.904 -2.853 1.00 41.20 N ATOM 1490 CE2 TRP A 596 10.872 -0.544 -2.757 1.00 3.01 C ATOM 1491 CE3 TRP A 596 8.732 -1.624 -2.461 1.00 33.32 C ATOM 1492 CZ2 TRP A 596 10.278 0.715 -2.798 1.00 65.12 C ATOM 1493 CZ3 TRP A 596 8.147 -0.375 -2.503 1.00 5.15 C ATOM 1494 CH2 TRP A 596 8.920 0.780 -2.670 1.00 31.23 C ATOM 0 H TRP A 596 10.443 -6.774 -2.137 1.00 11.31 H new ATOM 0 HA TRP A 596 11.732 -5.059 -4.134 1.00 74.34 H new ATOM 0 HB2 TRP A 596 9.674 -4.434 -2.787 1.00 50.33 H new ATOM 0 HB3 TRP A 596 10.665 -4.495 -1.342 1.00 50.33 H new ATOM 0 HD1 TRP A 596 13.208 -2.825 -2.824 1.00 42.24 H new ATOM 0 HE1 TRP A 596 12.971 -0.261 -2.970 1.00 41.20 H new ATOM 0 HE3 TRP A 596 8.128 -2.510 -2.330 1.00 33.32 H new ATOM 0 HZ2 TRP A 596 10.871 1.609 -2.927 1.00 65.12 H new ATOM 0 HZ3 TRP A 596 7.075 -0.287 -2.405 1.00 5.15 H new ATOM 0 HH2 TRP A 596 8.432 1.743 -2.698 1.00 31.23 H new ATOM 1505 N ILE A 597 13.975 -5.101 -3.121 1.00 40.22 N ATOM 1506 CA ILE A 597 15.294 -5.045 -2.581 1.00 32.35 C ATOM 1507 C ILE A 597 15.482 -3.676 -1.962 1.00 61.44 C ATOM 1508 O ILE A 597 15.748 -2.683 -2.646 1.00 42.52 O ATOM 1509 CB ILE A 597 16.421 -5.358 -3.645 1.00 73.32 C ATOM 1510 CG1 ILE A 597 16.388 -6.834 -4.105 1.00 72.43 C ATOM 1511 CG2 ILE A 597 17.813 -5.016 -3.119 1.00 3.55 C ATOM 1512 CD1 ILE A 597 15.197 -7.229 -4.941 1.00 74.34 C ATOM 0 H ILE A 597 13.925 -4.899 -4.120 1.00 40.22 H new ATOM 0 HA ILE A 597 15.397 -5.826 -1.828 1.00 32.35 H new ATOM 0 HB ILE A 597 16.209 -4.722 -4.505 1.00 73.32 H new ATOM 0 HG12 ILE A 597 17.294 -7.038 -4.676 1.00 72.43 H new ATOM 0 HG13 ILE A 597 16.417 -7.472 -3.222 1.00 72.43 H new ATOM 0 HG21 ILE A 597 18.557 -5.247 -3.882 1.00 3.55 H new ATOM 0 HG22 ILE A 597 17.859 -3.954 -2.876 1.00 3.55 H new ATOM 0 HG23 ILE A 597 18.018 -5.603 -2.223 1.00 3.55 H new ATOM 0 HD11 ILE A 597 15.274 -8.283 -5.209 1.00 74.34 H new ATOM 0 HD12 ILE A 597 14.282 -7.065 -4.371 1.00 74.34 H new ATOM 0 HD13 ILE A 597 15.173 -6.625 -5.848 1.00 74.34 H new ATOM 2107 N ILE A 634 3.386 -6.718 -3.834 1.00 44.24 N ATOM 2108 CA ILE A 634 2.510 -7.833 -3.999 1.00 52.04 C ATOM 2109 C ILE A 634 2.085 -7.921 -5.439 1.00 30.44 C ATOM 2110 O ILE A 634 2.586 -7.196 -6.297 1.00 64.41 O ATOM 2111 CB ILE A 634 1.245 -7.799 -3.066 1.00 30.43 C ATOM 2112 CG1 ILE A 634 0.336 -6.542 -3.262 1.00 34.22 C ATOM 2113 CG2 ILE A 634 1.642 -7.956 -1.622 1.00 61.13 C ATOM 2114 CD1 ILE A 634 0.889 -5.216 -2.756 1.00 30.33 C ATOM 0 HA ILE A 634 3.073 -8.718 -3.703 1.00 52.04 H new ATOM 0 HB ILE A 634 0.634 -8.650 -3.367 1.00 30.43 H new ATOM 0 HG12 ILE A 634 0.122 -6.438 -4.326 1.00 34.22 H new ATOM 0 HG13 ILE A 634 -0.615 -6.728 -2.762 1.00 34.22 H new ATOM 0 HG21 ILE A 634 0.751 -7.930 -0.995 1.00 61.13 H new ATOM 0 HG22 ILE A 634 2.153 -8.909 -1.487 1.00 61.13 H new ATOM 0 HG23 ILE A 634 2.310 -7.143 -1.338 1.00 61.13 H new ATOM 0 HD11 ILE A 634 0.167 -4.423 -2.950 1.00 30.33 H new ATOM 0 HD12 ILE A 634 1.074 -5.284 -1.684 1.00 30.33 H new ATOM 0 HD13 ILE A 634 1.822 -4.991 -3.272 1.00 30.33 H new ATOM 2126 N LEU A 635 1.248 -8.827 -5.732 1.00 55.10 N ATOM 2127 CA LEU A 635 0.755 -8.936 -7.047 1.00 21.30 C ATOM 2128 C LEU A 635 -0.722 -9.100 -7.009 1.00 23.31 C ATOM 2129 O LEU A 635 -1.317 -9.067 -5.918 1.00 51.11 O ATOM 2130 CB LEU A 635 1.460 -10.031 -7.878 1.00 13.45 C ATOM 2131 CG LEU A 635 1.364 -11.487 -7.420 1.00 10.13 C ATOM 2132 CD1 LEU A 635 1.877 -12.343 -8.517 1.00 12.53 C ATOM 2133 CD2 LEU A 635 2.222 -11.744 -6.222 1.00 54.22 C ATOM 0 H LEU A 635 0.882 -9.515 -5.074 1.00 55.10 H new ATOM 0 HA LEU A 635 0.989 -8.010 -7.573 1.00 21.30 H new ATOM 0 HB2 LEU A 635 1.066 -9.979 -8.893 1.00 13.45 H new ATOM 0 HB3 LEU A 635 2.517 -9.772 -7.933 1.00 13.45 H new ATOM 0 HG LEU A 635 0.325 -11.702 -7.168 1.00 10.13 H new ATOM 0 HD11 LEU A 635 1.821 -13.390 -8.218 1.00 12.53 H new ATOM 0 HD12 LEU A 635 1.274 -12.188 -9.412 1.00 12.53 H new ATOM 0 HD13 LEU A 635 2.914 -12.081 -8.728 1.00 12.53 H new ATOM 0 HD21 LEU A 635 2.129 -12.789 -5.925 1.00 54.22 H new ATOM 0 HD22 LEU A 635 3.262 -11.528 -6.466 1.00 54.22 H new ATOM 0 HD23 LEU A 635 1.902 -11.103 -5.401 1.00 54.22 H new ATOM 2145 N GLY A 636 -1.328 -9.195 -8.166 1.00 13.21 N ATOM 2146 CA GLY A 636 -2.743 -9.376 -8.217 1.00 33.23 C ATOM 2147 C GLY A 636 -3.107 -10.714 -7.640 1.00 54.04 C ATOM 2148 O GLY A 636 -2.360 -11.692 -7.836 1.00 72.42 O ATOM 0 H GLY A 636 -0.863 -9.150 -9.073 1.00 13.21 H new ATOM 0 HA2 GLY A 636 -3.240 -8.582 -7.660 1.00 33.23 H new ATOM 0 HA3 GLY A 636 -3.090 -9.308 -9.248 1.00 33.23 H new ATOM 2152 N GLU A 637 -4.220 -10.748 -6.921 1.00 0.52 N ATOM 2153 CA GLU A 637 -4.687 -11.924 -6.185 1.00 63.12 C ATOM 2154 C GLU A 637 -4.657 -13.167 -7.052 1.00 31.43 C ATOM 2155 O GLU A 637 -4.074 -14.183 -6.675 1.00 20.33 O ATOM 2156 CB GLU A 637 -6.096 -11.674 -5.631 1.00 71.04 C ATOM 2157 CG GLU A 637 -6.576 -12.735 -4.651 1.00 34.23 C ATOM 2158 CD GLU A 637 -5.630 -12.909 -3.487 1.00 61.33 C ATOM 2159 OE1 GLU A 637 -5.597 -12.039 -2.594 1.00 70.15 O ATOM 2160 OE2 GLU A 637 -4.883 -13.908 -3.458 1.00 4.33 O ATOM 0 H GLU A 637 -4.840 -9.943 -6.828 1.00 0.52 H new ATOM 0 HA GLU A 637 -4.009 -12.095 -5.349 1.00 63.12 H new ATOM 0 HB2 GLU A 637 -6.113 -10.703 -5.136 1.00 71.04 H new ATOM 0 HB3 GLU A 637 -6.798 -11.620 -6.463 1.00 71.04 H new ATOM 0 HG2 GLU A 637 -7.563 -12.461 -4.277 1.00 34.23 H new ATOM 0 HG3 GLU A 637 -6.685 -13.686 -5.173 1.00 34.23 H new ATOM 2167 N HIS A 638 -5.238 -13.082 -8.218 1.00 42.10 N ATOM 2168 CA HIS A 638 -5.223 -14.202 -9.118 1.00 1.35 C ATOM 2169 C HIS A 638 -4.687 -13.756 -10.450 1.00 51.04 C ATOM 2170 O HIS A 638 -5.434 -13.243 -11.296 1.00 20.43 O ATOM 2171 CB HIS A 638 -6.619 -14.852 -9.274 1.00 24.33 C ATOM 2172 CG HIS A 638 -7.258 -15.229 -7.968 1.00 30.32 C ATOM 2173 ND1 HIS A 638 -6.678 -16.071 -7.046 1.00 5.23 N ATOM 2174 CD2 HIS A 638 -8.405 -14.790 -7.401 1.00 41.13 C ATOM 2175 CE1 HIS A 638 -7.458 -16.109 -5.969 1.00 61.20 C ATOM 2176 NE2 HIS A 638 -8.532 -15.347 -6.132 1.00 5.34 N ATOM 0 H HIS A 638 -5.724 -12.255 -8.565 1.00 42.10 H new ATOM 0 HA HIS A 638 -4.573 -14.969 -8.697 1.00 1.35 H new ATOM 0 HB2 HIS A 638 -7.275 -14.161 -9.803 1.00 24.33 H new ATOM 0 HB3 HIS A 638 -6.528 -15.743 -9.895 1.00 24.33 H new ATOM 0 HD2 HIS A 638 -9.111 -14.114 -7.861 1.00 41.13 H new ATOM 0 HE1 HIS A 638 -7.245 -16.684 -5.080 1.00 61.20 H new ATOM 0 HE2 HIS A 638 -9.291 -15.200 -5.467 1.00 5.34 H new ATOM 2184 N THR A 639 -3.399 -13.845 -10.612 1.00 14.14 N ATOM 2185 CA THR A 639 -2.804 -13.491 -11.851 1.00 53.32 C ATOM 2186 C THR A 639 -2.086 -14.706 -12.437 1.00 52.41 C ATOM 2187 O THR A 639 -1.094 -15.221 -11.894 1.00 75.12 O ATOM 2188 CB THR A 639 -1.897 -12.211 -11.756 1.00 4.21 C ATOM 2189 OG1 THR A 639 -1.465 -11.798 -13.060 1.00 42.50 O ATOM 2190 CG2 THR A 639 -0.692 -12.419 -10.861 1.00 64.35 C ATOM 0 H THR A 639 -2.746 -14.161 -9.895 1.00 14.14 H new ATOM 0 HA THR A 639 -3.594 -13.201 -12.543 1.00 53.32 H new ATOM 0 HB THR A 639 -2.510 -11.428 -11.309 1.00 4.21 H new ATOM 0 HG1 THR A 639 -0.895 -12.493 -13.451 1.00 42.50 H new ATOM 0 HG21 THR A 639 -0.099 -11.505 -10.830 1.00 64.35 H new ATOM 0 HG22 THR A 639 -1.026 -12.669 -9.854 1.00 64.35 H new ATOM 0 HG23 THR A 639 -0.083 -13.233 -11.254 1.00 64.35 H new ATOM 2198 N LYS A 640 -2.635 -15.193 -13.500 1.00 45.23 N ATOM 2199 CA LYS A 640 -2.138 -16.340 -14.163 1.00 52.23 C ATOM 2200 C LYS A 640 -2.365 -16.129 -15.614 1.00 1.30 C ATOM 2201 O LYS A 640 -3.313 -15.455 -15.992 1.00 63.32 O ATOM 2202 CB LYS A 640 -2.891 -17.602 -13.720 1.00 32.22 C ATOM 2203 CG LYS A 640 -2.384 -18.891 -14.382 1.00 2.34 C ATOM 2204 CD LYS A 640 -3.324 -20.055 -14.165 1.00 64.10 C ATOM 2205 CE LYS A 640 -3.546 -20.365 -12.697 1.00 1.43 C ATOM 2206 NZ LYS A 640 -4.554 -21.427 -12.523 1.00 40.24 N ATOM 0 H LYS A 640 -3.463 -14.790 -13.938 1.00 45.23 H new ATOM 0 HA LYS A 640 -1.083 -16.479 -13.929 1.00 52.23 H new ATOM 0 HB2 LYS A 640 -2.807 -17.703 -12.638 1.00 32.22 H new ATOM 0 HB3 LYS A 640 -3.950 -17.480 -13.947 1.00 32.22 H new ATOM 0 HG2 LYS A 640 -2.259 -18.723 -15.452 1.00 2.34 H new ATOM 0 HG3 LYS A 640 -1.402 -19.141 -13.981 1.00 2.34 H new ATOM 0 HD2 LYS A 640 -4.283 -19.834 -14.634 1.00 64.10 H new ATOM 0 HD3 LYS A 640 -2.922 -20.938 -14.661 1.00 64.10 H new ATOM 0 HE2 LYS A 640 -2.605 -20.675 -12.242 1.00 1.43 H new ATOM 0 HE3 LYS A 640 -3.870 -19.463 -12.177 1.00 1.43 H new ATOM 0 HZ1 LYS A 640 -4.685 -21.618 -11.509 1.00 40.24 H new ATOM 0 HZ2 LYS A 640 -5.457 -21.120 -12.937 1.00 40.24 H new ATOM 0 HZ3 LYS A 640 -4.231 -22.293 -13.000 1.00 40.24 H new ATOM 2220 N LEU A 641 -1.500 -16.640 -16.396 1.00 5.10 N ATOM 2221 CA LEU A 641 -1.627 -16.587 -17.796 1.00 21.42 C ATOM 2222 C LEU A 641 -1.742 -17.996 -18.309 1.00 70.22 C ATOM 2223 O LEU A 641 -0.782 -18.762 -18.257 1.00 20.33 O ATOM 2224 CB LEU A 641 -0.407 -15.924 -18.396 1.00 63.22 C ATOM 2225 CG LEU A 641 -0.420 -15.757 -19.897 1.00 34.12 C ATOM 2226 CD1 LEU A 641 -1.418 -14.693 -20.321 1.00 73.52 C ATOM 2227 CD2 LEU A 641 0.963 -15.456 -20.404 1.00 50.31 C ATOM 0 H LEU A 641 -0.660 -17.120 -16.072 1.00 5.10 H new ATOM 0 HA LEU A 641 -2.509 -16.010 -18.073 1.00 21.42 H new ATOM 0 HB2 LEU A 641 -0.291 -14.940 -17.941 1.00 63.22 H new ATOM 0 HB3 LEU A 641 0.472 -16.508 -18.122 1.00 63.22 H new ATOM 0 HG LEU A 641 -0.743 -16.696 -20.346 1.00 34.12 H new ATOM 0 HD11 LEU A 641 -1.406 -14.594 -21.406 1.00 73.52 H new ATOM 0 HD12 LEU A 641 -2.417 -14.981 -19.994 1.00 73.52 H new ATOM 0 HD13 LEU A 641 -1.148 -13.739 -19.867 1.00 73.52 H new ATOM 0 HD21 LEU A 641 0.936 -15.339 -21.487 1.00 50.31 H new ATOM 0 HD22 LEU A 641 1.325 -14.535 -19.948 1.00 50.31 H new ATOM 0 HD23 LEU A 641 1.632 -16.276 -20.145 1.00 50.31 H new ATOM 2239 N GLU A 642 -2.906 -18.361 -18.718 1.00 61.03 N ATOM 2240 CA GLU A 642 -3.104 -19.637 -19.314 1.00 34.44 C ATOM 2241 C GLU A 642 -2.821 -19.520 -20.784 1.00 34.11 C ATOM 2242 O GLU A 642 -3.527 -18.831 -21.524 1.00 44.43 O ATOM 2243 CB GLU A 642 -4.491 -20.164 -19.027 1.00 4.43 C ATOM 2244 CG GLU A 642 -4.776 -20.274 -17.537 1.00 40.24 C ATOM 2245 CD GLU A 642 -6.033 -21.025 -17.225 1.00 41.45 C ATOM 2246 OE1 GLU A 642 -7.136 -20.427 -17.216 1.00 4.15 O ATOM 2247 OE2 GLU A 642 -5.949 -22.246 -16.961 1.00 61.14 O ATOM 0 H GLU A 642 -3.746 -17.786 -18.650 1.00 61.03 H new ATOM 0 HA GLU A 642 -2.417 -20.366 -18.883 1.00 34.44 H new ATOM 0 HB2 GLU A 642 -5.228 -19.506 -19.487 1.00 4.43 H new ATOM 0 HB3 GLU A 642 -4.606 -21.144 -19.489 1.00 4.43 H new ATOM 0 HG2 GLU A 642 -3.936 -20.769 -17.050 1.00 40.24 H new ATOM 0 HG3 GLU A 642 -4.846 -19.272 -17.113 1.00 40.24 H new ATOM 2254 N VAL A 643 -1.757 -20.141 -21.179 1.00 35.22 N ATOM 2255 CA VAL A 643 -1.243 -20.053 -22.518 1.00 52.11 C ATOM 2256 C VAL A 643 -1.703 -21.241 -23.303 1.00 22.05 C ATOM 2257 O VAL A 643 -1.398 -22.389 -22.964 1.00 12.44 O ATOM 2258 CB VAL A 643 0.299 -20.002 -22.543 1.00 15.14 C ATOM 2259 CG1 VAL A 643 0.803 -19.779 -23.959 1.00 60.34 C ATOM 2260 CG2 VAL A 643 0.832 -18.937 -21.602 1.00 62.42 C ATOM 0 H VAL A 643 -1.203 -20.741 -20.567 1.00 35.22 H new ATOM 0 HA VAL A 643 -1.619 -19.129 -22.958 1.00 52.11 H new ATOM 0 HB VAL A 643 0.673 -20.965 -22.194 1.00 15.14 H new ATOM 0 HG11 VAL A 643 1.892 -19.746 -23.956 1.00 60.34 H new ATOM 0 HG12 VAL A 643 0.466 -20.595 -24.598 1.00 60.34 H new ATOM 0 HG13 VAL A 643 0.412 -18.835 -24.340 1.00 60.34 H new ATOM 0 HG21 VAL A 643 1.921 -18.927 -21.643 1.00 62.42 H new ATOM 0 HG22 VAL A 643 0.449 -17.962 -21.902 1.00 62.42 H new ATOM 0 HG23 VAL A 643 0.510 -19.156 -20.584 1.00 62.42 H new ATOM 2270 N ILE A 644 -2.433 -20.975 -24.324 1.00 22.23 N ATOM 2271 CA ILE A 644 -3.015 -21.994 -25.120 1.00 42.31 C ATOM 2272 C ILE A 644 -2.482 -21.920 -26.533 1.00 44.24 C ATOM 2273 O ILE A 644 -2.620 -20.902 -27.202 1.00 32.23 O ATOM 2274 CB ILE A 644 -4.539 -21.826 -25.085 1.00 22.01 C ATOM 2275 CG1 ILE A 644 -4.975 -21.929 -23.621 1.00 13.14 C ATOM 2276 CG2 ILE A 644 -5.214 -22.907 -25.931 1.00 31.22 C ATOM 2277 CD1 ILE A 644 -6.177 -21.147 -23.273 1.00 12.21 C ATOM 0 H ILE A 644 -2.647 -20.028 -24.636 1.00 22.23 H new ATOM 0 HA ILE A 644 -2.756 -22.977 -24.727 1.00 42.31 H new ATOM 0 HB ILE A 644 -4.831 -20.861 -25.500 1.00 22.01 H new ATOM 0 HG12 ILE A 644 -5.161 -22.977 -23.385 1.00 13.14 H new ATOM 0 HG13 ILE A 644 -4.151 -21.601 -22.988 1.00 13.14 H new ATOM 0 HG21 ILE A 644 -6.295 -22.774 -25.896 1.00 31.22 H new ATOM 0 HG22 ILE A 644 -4.872 -22.828 -26.963 1.00 31.22 H new ATOM 0 HG23 ILE A 644 -4.956 -23.890 -25.538 1.00 31.22 H new ATOM 0 HD11 ILE A 644 -6.407 -21.284 -22.216 1.00 12.21 H new ATOM 0 HD12 ILE A 644 -5.994 -20.091 -23.471 1.00 12.21 H new ATOM 0 HD13 ILE A 644 -7.020 -21.488 -23.875 1.00 12.21 H new ATOM 2289 N ILE A 645 -1.847 -22.975 -26.955 1.00 14.31 N ATOM 2290 CA ILE A 645 -1.290 -23.082 -28.275 1.00 63.01 C ATOM 2291 C ILE A 645 -2.258 -23.806 -29.162 1.00 74.32 C ATOM 2292 O ILE A 645 -2.512 -24.998 -28.989 1.00 24.24 O ATOM 2293 CB ILE A 645 0.133 -23.746 -28.331 1.00 3.41 C ATOM 2294 CG1 ILE A 645 0.383 -24.825 -27.224 1.00 55.33 C ATOM 2295 CG2 ILE A 645 1.210 -22.691 -28.311 1.00 52.54 C ATOM 2296 CD1 ILE A 645 0.688 -24.280 -25.827 1.00 32.21 C ATOM 0 H ILE A 645 -1.698 -23.804 -26.379 1.00 14.31 H new ATOM 0 HA ILE A 645 -1.134 -22.064 -28.632 1.00 63.01 H new ATOM 0 HB ILE A 645 0.173 -24.288 -29.276 1.00 3.41 H new ATOM 0 HG12 ILE A 645 -0.497 -25.465 -27.161 1.00 55.33 H new ATOM 0 HG13 ILE A 645 1.215 -25.456 -27.538 1.00 55.33 H new ATOM 0 HG21 ILE A 645 2.189 -23.169 -28.350 1.00 52.54 H new ATOM 0 HG22 ILE A 645 1.092 -22.034 -29.173 1.00 52.54 H new ATOM 0 HG23 ILE A 645 1.129 -22.106 -27.395 1.00 52.54 H new ATOM 0 HD11 ILE A 645 0.844 -25.111 -25.139 1.00 32.21 H new ATOM 0 HD12 ILE A 645 1.588 -23.666 -25.865 1.00 32.21 H new ATOM 0 HD13 ILE A 645 -0.150 -23.675 -25.481 1.00 32.21 H new