USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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 -83:sc= 0.0259 USER MOD Set 2.1: A 528 THR OG1 : rot 49:sc= -0.0763 USER MOD Set 2.2: A 529 SER OG : rot 180:sc= 0.227 USER MOD Set 3.1: A 517 SER OG : rot 174:sc= 0.0634 USER MOD Set 3.2: A 649 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 506 THR OG1 : rot 17:sc= 0.353 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.775 K(o=-0.77,f=-0.2) USER MOD Single : A 515 SER OG : rot 180:sc= 0.268 USER MOD Single : A 521 MET CE :methyl 138:sc= -3.65! (180deg=-4.7!) USER MOD Single : A 524 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0418) USER MOD Single : A 534 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.019) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 69:sc= 0.991 USER MOD Single : A 545 THR OG1 : rot -23:sc= 0.0918 USER MOD Single : A 557 CYS SG : rot -96:sc= 1.31 USER MOD Single : A 563 GLN : amide:sc= -0.012 K(o=-0.012,f=-0.79) USER MOD Single : A 564 ASN : amide:sc= -0.132 X(o=-0.13,f=0.27) USER MOD Single : A 569 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.23) USER MOD Single : A 570 THR OG1 : rot 151:sc= 1.03 USER MOD Single : A 572 SER OG : rot 45:sc= 0.0239 USER MOD Single : A 574 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.062) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0183) USER MOD Single : A 584 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.6!) USER MOD Single : A 585 LYS NZ :NH3+ -177:sc= 1.37 (180deg=1.29) USER MOD Single : A 586 THR OG1 : rot 28:sc= 0.927 USER MOD Single : A 639 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.52) USER MOD Single : A 640 THR OG1 : rot 48:sc= -0.422 USER MOD Single : A 641 LYS NZ :NH3+ -164:sc= 0.85 (180deg=0.517) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.806 -13.682 -3.372 1.00 75.51 N ATOM 29 CA GLY A 503 -5.021 -12.690 -2.380 1.00 11.31 C ATOM 30 C GLY A 503 -4.932 -11.329 -2.999 1.00 62.14 C ATOM 31 O GLY A 503 -4.046 -11.071 -3.787 1.00 13.31 O ATOM 0 HA2 GLY A 503 -6.000 -12.828 -1.920 1.00 11.31 H new ATOM 0 HA3 GLY A 503 -4.280 -12.788 -1.587 1.00 11.31 H new ATOM 35 N ILE A 504 -5.862 -10.510 -2.663 1.00 33.23 N ATOM 36 CA ILE A 504 -6.039 -9.175 -3.171 1.00 4.24 C ATOM 37 C ILE A 504 -5.683 -8.157 -2.063 1.00 51.55 C ATOM 38 O ILE A 504 -6.491 -7.889 -1.165 1.00 15.32 O ATOM 39 CB ILE A 504 -7.542 -8.948 -3.609 1.00 4.22 C ATOM 40 CG1 ILE A 504 -7.977 -9.880 -4.777 1.00 62.41 C ATOM 41 CG2 ILE A 504 -7.794 -7.497 -3.987 1.00 3.30 C ATOM 42 CD1 ILE A 504 -8.248 -11.329 -4.396 1.00 63.41 C ATOM 0 H ILE A 504 -6.575 -10.761 -1.979 1.00 33.23 H new ATOM 0 HA ILE A 504 -5.388 -9.038 -4.035 1.00 4.24 H new ATOM 0 HB ILE A 504 -8.149 -9.203 -2.740 1.00 4.22 H new ATOM 0 HG12 ILE A 504 -8.878 -9.468 -5.231 1.00 62.41 H new ATOM 0 HG13 ILE A 504 -7.199 -9.863 -5.541 1.00 62.41 H new ATOM 0 HG21 ILE A 504 -8.836 -7.374 -4.283 1.00 3.30 H new ATOM 0 HG22 ILE A 504 -7.582 -6.856 -3.131 1.00 3.30 H new ATOM 0 HG23 ILE A 504 -7.145 -7.220 -4.818 1.00 3.30 H new ATOM 0 HD11 ILE A 504 -8.544 -11.889 -5.283 1.00 63.41 H new ATOM 0 HD12 ILE A 504 -7.345 -11.769 -3.973 1.00 63.41 H new ATOM 0 HD13 ILE A 504 -9.050 -11.367 -3.659 1.00 63.41 H new ATOM 54 N PHE A 505 -4.488 -7.640 -2.094 1.00 14.42 N ATOM 55 CA PHE A 505 -4.042 -6.693 -1.074 1.00 4.24 C ATOM 56 C PHE A 505 -4.070 -5.277 -1.628 1.00 21.32 C ATOM 57 O PHE A 505 -3.470 -5.002 -2.663 1.00 10.55 O ATOM 58 CB PHE A 505 -2.624 -7.044 -0.629 1.00 73.02 C ATOM 59 CG PHE A 505 -2.520 -8.383 0.048 1.00 73.03 C ATOM 60 CD1 PHE A 505 -2.281 -9.535 -0.687 1.00 61.12 C ATOM 61 CD2 PHE A 505 -2.667 -8.486 1.420 1.00 32.03 C ATOM 62 CE1 PHE A 505 -2.192 -10.761 -0.067 1.00 34.42 C ATOM 63 CE2 PHE A 505 -2.579 -9.710 2.045 1.00 24.41 C ATOM 64 CZ PHE A 505 -2.339 -10.850 1.302 1.00 74.30 C ATOM 0 H PHE A 505 -3.793 -7.850 -2.810 1.00 14.42 H new ATOM 0 HA PHE A 505 -4.714 -6.752 -0.218 1.00 4.24 H new ATOM 0 HB2 PHE A 505 -1.966 -7.033 -1.498 1.00 73.02 H new ATOM 0 HB3 PHE A 505 -2.264 -6.273 0.052 1.00 73.02 H new ATOM 0 HD1 PHE A 505 -2.163 -9.469 -1.759 1.00 61.12 H new ATOM 0 HD2 PHE A 505 -2.852 -7.598 2.006 1.00 32.03 H new ATOM 0 HE1 PHE A 505 -2.008 -11.651 -0.651 1.00 34.42 H new ATOM 0 HE2 PHE A 505 -2.698 -9.779 3.116 1.00 24.41 H new ATOM 0 HZ PHE A 505 -2.267 -11.810 1.792 1.00 74.30 H new ATOM 74 N THR A 506 -4.757 -4.389 -0.968 1.00 73.21 N ATOM 75 CA THR A 506 -4.872 -3.036 -1.438 1.00 24.22 C ATOM 76 C THR A 506 -4.929 -2.087 -0.242 1.00 34.51 C ATOM 77 O THR A 506 -5.218 -2.518 0.888 1.00 3.11 O ATOM 78 CB THR A 506 -6.149 -2.870 -2.356 1.00 11.44 C ATOM 79 OG1 THR A 506 -6.190 -1.570 -2.977 1.00 72.50 O ATOM 80 CG2 THR A 506 -7.442 -3.102 -1.575 1.00 21.04 C ATOM 0 H THR A 506 -5.250 -4.579 -0.096 1.00 73.21 H new ATOM 0 HA THR A 506 -3.999 -2.790 -2.042 1.00 24.22 H new ATOM 0 HB THR A 506 -6.070 -3.630 -3.134 1.00 11.44 H new ATOM 0 HG1 THR A 506 -5.305 -1.153 -2.922 1.00 72.50 H new ATOM 0 HG21 THR A 506 -8.296 -2.979 -2.241 1.00 21.04 H new ATOM 0 HG22 THR A 506 -7.444 -4.112 -1.166 1.00 21.04 H new ATOM 0 HG23 THR A 506 -7.510 -2.381 -0.761 1.00 21.04 H new ATOM 88 N PHE A 507 -4.620 -0.827 -0.472 1.00 62.21 N ATOM 89 CA PHE A 507 -4.745 0.182 0.554 1.00 45.24 C ATOM 90 C PHE A 507 -6.117 0.746 0.491 1.00 54.41 C ATOM 91 O PHE A 507 -6.776 0.651 -0.550 1.00 4.00 O ATOM 92 CB PHE A 507 -3.745 1.328 0.374 1.00 20.13 C ATOM 93 CG PHE A 507 -2.335 1.036 0.773 1.00 73.14 C ATOM 94 CD1 PHE A 507 -2.007 0.915 2.107 1.00 1.43 C ATOM 95 CD2 PHE A 507 -1.333 0.935 -0.173 1.00 52.03 C ATOM 96 CE1 PHE A 507 -0.711 0.697 2.494 1.00 14.44 C ATOM 97 CE2 PHE A 507 -0.028 0.708 0.208 1.00 15.33 C ATOM 98 CZ PHE A 507 0.284 0.590 1.547 1.00 42.24 C ATOM 0 H PHE A 507 -4.278 -0.478 -1.368 1.00 62.21 H new ATOM 0 HA PHE A 507 -4.541 -0.292 1.514 1.00 45.24 H new ATOM 0 HB2 PHE A 507 -3.750 1.627 -0.674 1.00 20.13 H new ATOM 0 HB3 PHE A 507 -4.095 2.183 0.952 1.00 20.13 H new ATOM 0 HD1 PHE A 507 -2.781 0.993 2.856 1.00 1.43 H new ATOM 0 HD2 PHE A 507 -1.575 1.035 -1.221 1.00 52.03 H new ATOM 0 HE1 PHE A 507 -0.469 0.609 3.543 1.00 14.44 H new ATOM 0 HE2 PHE A 507 0.748 0.623 -0.539 1.00 15.33 H new ATOM 0 HZ PHE A 507 1.305 0.414 1.852 1.00 42.24 H new ATOM 108 N GLU A 508 -6.572 1.284 1.590 1.00 72.31 N ATOM 109 CA GLU A 508 -7.849 1.938 1.601 1.00 45.14 C ATOM 110 C GLU A 508 -7.600 3.395 1.254 1.00 34.51 C ATOM 111 O GLU A 508 -8.391 4.036 0.559 1.00 22.14 O ATOM 112 CB GLU A 508 -8.517 1.812 2.970 1.00 40.25 C ATOM 113 CG GLU A 508 -10.015 2.009 2.916 1.00 61.41 C ATOM 114 CD GLU A 508 -10.689 1.925 4.262 1.00 61.21 C ATOM 115 OE1 GLU A 508 -10.660 2.914 5.027 1.00 63.25 O ATOM 116 OE2 GLU A 508 -11.276 0.868 4.584 1.00 53.34 O ATOM 0 H GLU A 508 -6.080 1.282 2.483 1.00 72.31 H new ATOM 0 HA GLU A 508 -8.524 1.477 0.880 1.00 45.14 H new ATOM 0 HB2 GLU A 508 -8.300 0.828 3.385 1.00 40.25 H new ATOM 0 HB3 GLU A 508 -8.084 2.547 3.649 1.00 40.25 H new ATOM 0 HG2 GLU A 508 -10.228 2.982 2.473 1.00 61.41 H new ATOM 0 HG3 GLU A 508 -10.447 1.257 2.256 1.00 61.41 H new ATOM 123 N GLU A 509 -6.461 3.882 1.714 1.00 53.22 N ATOM 124 CA GLU A 509 -6.010 5.218 1.441 1.00 25.14 C ATOM 125 C GLU A 509 -5.053 5.233 0.284 1.00 34.33 C ATOM 126 O GLU A 509 -4.006 4.596 0.350 1.00 52.24 O ATOM 127 CB GLU A 509 -5.229 5.825 2.610 1.00 33.14 C ATOM 128 CG GLU A 509 -6.015 6.385 3.753 1.00 3.04 C ATOM 129 CD GLU A 509 -6.657 5.347 4.640 1.00 63.32 C ATOM 130 OE1 GLU A 509 -7.732 4.853 4.316 1.00 72.43 O ATOM 131 OE2 GLU A 509 -6.084 5.025 5.710 1.00 52.34 O ATOM 0 H GLU A 509 -5.819 3.344 2.297 1.00 53.22 H new ATOM 0 HA GLU A 509 -6.917 5.788 1.242 1.00 25.14 H new ATOM 0 HB2 GLU A 509 -4.564 5.057 3.004 1.00 33.14 H new ATOM 0 HB3 GLU A 509 -4.598 6.621 2.215 1.00 33.14 H new ATOM 0 HG2 GLU A 509 -5.357 7.006 4.360 1.00 3.04 H new ATOM 0 HG3 GLU A 509 -6.793 7.038 3.357 1.00 3.04 H new ATOM 138 N PRO A 510 -5.377 5.929 -0.799 1.00 72.14 N ATOM 139 CA PRO A 510 -4.394 6.223 -1.814 1.00 70.41 C ATOM 140 C PRO A 510 -3.599 7.463 -1.385 1.00 32.14 C ATOM 141 O PRO A 510 -2.515 7.738 -1.874 1.00 75.15 O ATOM 142 CB PRO A 510 -5.206 6.518 -3.076 1.00 20.01 C ATOM 143 CG PRO A 510 -6.659 6.446 -2.677 1.00 33.32 C ATOM 144 CD PRO A 510 -6.717 6.409 -1.169 1.00 23.31 C ATOM 0 HA PRO A 510 -3.686 5.410 -1.975 1.00 70.41 H new ATOM 0 HB2 PRO A 510 -4.961 7.503 -3.473 1.00 20.01 H new ATOM 0 HB3 PRO A 510 -4.982 5.794 -3.859 1.00 20.01 H new ATOM 0 HG2 PRO A 510 -7.204 7.308 -3.060 1.00 33.32 H new ATOM 0 HG3 PRO A 510 -7.129 5.558 -3.100 1.00 33.32 H new ATOM 0 HD2 PRO A 510 -6.924 7.393 -0.749 1.00 23.31 H new ATOM 0 HD3 PRO A 510 -7.499 5.739 -0.811 1.00 23.31 H new ATOM 152 N VAL A 511 -4.169 8.181 -0.434 1.00 50.14 N ATOM 153 CA VAL A 511 -3.635 9.404 0.135 1.00 10.42 C ATOM 154 C VAL A 511 -3.999 9.413 1.599 1.00 14.34 C ATOM 155 O VAL A 511 -5.092 9.000 1.958 1.00 10.01 O ATOM 156 CB VAL A 511 -4.279 10.674 -0.534 1.00 42.52 C ATOM 157 CG1 VAL A 511 -3.841 11.957 0.133 1.00 10.11 C ATOM 158 CG2 VAL A 511 -3.986 10.741 -2.009 1.00 51.31 C ATOM 0 H VAL A 511 -5.061 7.913 -0.018 1.00 50.14 H new ATOM 0 HA VAL A 511 -2.558 9.436 -0.027 1.00 10.42 H new ATOM 0 HB VAL A 511 -5.355 10.570 -0.398 1.00 42.52 H new ATOM 0 HG11 VAL A 511 -4.312 12.805 -0.364 1.00 10.11 H new ATOM 0 HG12 VAL A 511 -4.137 11.941 1.182 1.00 10.11 H new ATOM 0 HG13 VAL A 511 -2.757 12.052 0.063 1.00 10.11 H new ATOM 0 HG21 VAL A 511 -4.449 11.633 -2.432 1.00 51.31 H new ATOM 0 HG22 VAL A 511 -2.908 10.783 -2.164 1.00 51.31 H new ATOM 0 HG23 VAL A 511 -4.389 9.855 -2.501 1.00 51.31 H new ATOM 168 N THR A 512 -3.104 9.833 2.423 1.00 61.14 N ATOM 169 CA THR A 512 -3.387 9.979 3.801 1.00 42.53 C ATOM 170 C THR A 512 -2.745 11.276 4.269 1.00 42.42 C ATOM 171 O THR A 512 -1.727 11.718 3.700 1.00 24.11 O ATOM 172 CB THR A 512 -2.891 8.751 4.645 1.00 2.13 C ATOM 173 OG1 THR A 512 -3.432 8.806 5.967 1.00 31.31 O ATOM 174 CG2 THR A 512 -1.375 8.713 4.744 1.00 52.25 C ATOM 0 H THR A 512 -2.152 10.085 2.156 1.00 61.14 H new ATOM 0 HA THR A 512 -4.466 10.016 3.950 1.00 42.53 H new ATOM 0 HB THR A 512 -3.234 7.852 4.133 1.00 2.13 H new ATOM 0 HG1 THR A 512 -3.117 8.034 6.482 1.00 31.31 H new ATOM 0 HG21 THR A 512 -1.071 7.849 5.335 1.00 52.25 H new ATOM 0 HG22 THR A 512 -0.947 8.637 3.744 1.00 52.25 H new ATOM 0 HG23 THR A 512 -1.019 9.625 5.223 1.00 52.25 H new ATOM 182 N HIS A 513 -3.357 11.911 5.218 1.00 64.34 N ATOM 183 CA HIS A 513 -2.838 13.118 5.784 1.00 41.03 C ATOM 184 C HIS A 513 -2.511 12.881 7.213 1.00 35.11 C ATOM 185 O HIS A 513 -3.337 12.365 7.980 1.00 10.21 O ATOM 186 CB HIS A 513 -3.791 14.303 5.607 1.00 74.14 C ATOM 187 CG HIS A 513 -3.723 14.916 4.243 1.00 61.24 C ATOM 188 ND1 HIS A 513 -3.163 16.142 3.996 1.00 4.40 N ATOM 189 CD2 HIS A 513 -4.125 14.441 3.040 1.00 2.35 C ATOM 190 CE1 HIS A 513 -3.227 16.372 2.688 1.00 72.53 C ATOM 191 NE2 HIS A 513 -3.805 15.374 2.052 1.00 34.14 N ATOM 0 H HIS A 513 -4.240 11.604 5.626 1.00 64.34 H new ATOM 0 HA HIS A 513 -1.929 13.390 5.248 1.00 41.03 H new ATOM 0 HB2 HIS A 513 -4.812 13.972 5.799 1.00 74.14 H new ATOM 0 HB3 HIS A 513 -3.557 15.063 6.352 1.00 74.14 H new ATOM 0 HD2 HIS A 513 -4.614 13.493 2.872 1.00 2.35 H new ATOM 0 HE1 HIS A 513 -2.853 17.264 2.208 1.00 72.53 H new ATOM 0 HE2 HIS A 513 -3.981 15.299 1.050 1.00 34.14 H new ATOM 199 N VAL A 514 -1.313 13.207 7.576 1.00 31.14 N ATOM 200 CA VAL A 514 -0.851 12.951 8.912 1.00 21.32 C ATOM 201 C VAL A 514 -0.240 14.202 9.468 1.00 30.24 C ATOM 202 O VAL A 514 0.214 15.055 8.712 1.00 1.00 O ATOM 203 CB VAL A 514 0.188 11.768 8.979 1.00 21.31 C ATOM 204 CG1 VAL A 514 -0.375 10.491 8.365 1.00 22.41 C ATOM 205 CG2 VAL A 514 1.512 12.132 8.317 1.00 43.23 C ATOM 0 H VAL A 514 -0.629 13.654 6.966 1.00 31.14 H new ATOM 0 HA VAL A 514 -1.712 12.648 9.509 1.00 21.32 H new ATOM 0 HB VAL A 514 0.380 11.585 10.036 1.00 21.31 H new ATOM 0 HG11 VAL A 514 0.369 9.697 8.429 1.00 22.41 H new ATOM 0 HG12 VAL A 514 -1.272 10.192 8.907 1.00 22.41 H new ATOM 0 HG13 VAL A 514 -0.625 10.670 7.319 1.00 22.41 H new ATOM 0 HG21 VAL A 514 2.198 11.288 8.387 1.00 43.23 H new ATOM 0 HG22 VAL A 514 1.340 12.374 7.268 1.00 43.23 H new ATOM 0 HG23 VAL A 514 1.946 12.995 8.822 1.00 43.23 H new ATOM 215 N SER A 515 -0.247 14.323 10.757 1.00 22.31 N ATOM 216 CA SER A 515 0.350 15.446 11.403 1.00 35.34 C ATOM 217 C SER A 515 1.850 15.228 11.418 1.00 22.31 C ATOM 218 O SER A 515 2.304 14.105 11.331 1.00 71.24 O ATOM 219 CB SER A 515 -0.173 15.534 12.839 1.00 72.35 C ATOM 220 OG SER A 515 0.327 16.677 13.521 1.00 1.15 O ATOM 0 H SER A 515 -0.668 13.644 11.392 1.00 22.31 H new ATOM 0 HA SER A 515 0.107 16.370 10.879 1.00 35.34 H new ATOM 0 HB2 SER A 515 -1.262 15.568 12.826 1.00 72.35 H new ATOM 0 HB3 SER A 515 0.112 14.634 13.384 1.00 72.35 H new ATOM 0 HG SER A 515 -0.032 16.697 14.433 1.00 1.15 H new ATOM 226 N GLU A 516 2.616 16.272 11.484 1.00 54.25 N ATOM 227 CA GLU A 516 4.032 16.099 11.636 1.00 51.53 C ATOM 228 C GLU A 516 4.368 16.036 13.121 1.00 65.24 C ATOM 229 O GLU A 516 5.478 15.737 13.523 1.00 71.13 O ATOM 230 CB GLU A 516 4.809 17.185 10.925 1.00 42.31 C ATOM 231 CG GLU A 516 6.286 16.881 10.817 1.00 42.41 C ATOM 232 CD GLU A 516 6.988 17.881 10.016 1.00 5.51 C ATOM 233 OE1 GLU A 516 7.262 18.958 10.471 1.00 20.23 O ATOM 234 OE2 GLU A 516 7.256 17.693 8.842 1.00 44.42 O ATOM 0 H GLU A 516 2.295 17.239 11.436 1.00 54.25 H new ATOM 0 HA GLU A 516 4.330 15.161 11.167 1.00 51.53 H new ATOM 0 HB2 GLU A 516 4.398 17.323 9.925 1.00 42.31 H new ATOM 0 HB3 GLU A 516 4.676 18.127 11.457 1.00 42.31 H new ATOM 0 HG2 GLU A 516 6.723 16.842 11.815 1.00 42.41 H new ATOM 0 HG3 GLU A 516 6.423 15.896 10.371 1.00 42.41 H new ATOM 241 N SER A 517 3.366 16.287 13.938 1.00 65.54 N ATOM 242 CA SER A 517 3.522 16.217 15.365 1.00 34.21 C ATOM 243 C SER A 517 3.146 14.803 15.834 1.00 5.22 C ATOM 244 O SER A 517 2.902 14.542 17.019 1.00 73.40 O ATOM 245 CB SER A 517 2.656 17.290 16.015 1.00 63.32 C ATOM 246 OG SER A 517 3.001 18.574 15.488 1.00 34.42 O ATOM 0 H SER A 517 2.429 16.543 13.628 1.00 65.54 H new ATOM 0 HA SER A 517 4.555 16.405 15.658 1.00 34.21 H new ATOM 0 HB2 SER A 517 1.602 17.082 15.830 1.00 63.32 H new ATOM 0 HB3 SER A 517 2.798 17.280 17.096 1.00 63.32 H new ATOM 0 HG SER A 517 2.378 19.247 15.833 1.00 34.42 H new ATOM 252 N ILE A 518 3.124 13.899 14.881 1.00 45.31 N ATOM 253 CA ILE A 518 2.844 12.530 15.121 1.00 64.15 C ATOM 254 C ILE A 518 4.178 11.796 15.130 1.00 71.14 C ATOM 255 O ILE A 518 5.154 12.283 14.544 1.00 74.41 O ATOM 256 CB ILE A 518 1.925 11.960 14.000 1.00 64.33 C ATOM 257 CG1 ILE A 518 1.161 10.771 14.516 1.00 62.41 C ATOM 258 CG2 ILE A 518 2.726 11.549 12.752 1.00 51.32 C ATOM 259 CD1 ILE A 518 0.167 10.260 13.535 1.00 55.40 C ATOM 0 H ILE A 518 3.306 14.115 13.901 1.00 45.31 H new ATOM 0 HA ILE A 518 2.324 12.404 16.071 1.00 64.15 H new ATOM 0 HB ILE A 518 1.234 12.752 13.712 1.00 64.33 H new ATOM 0 HG12 ILE A 518 1.862 9.974 14.766 1.00 62.41 H new ATOM 0 HG13 ILE A 518 0.648 11.046 15.438 1.00 62.41 H new ATOM 0 HG21 ILE A 518 2.046 11.157 11.996 1.00 51.32 H new ATOM 0 HG22 ILE A 518 3.250 12.418 12.353 1.00 51.32 H new ATOM 0 HG23 ILE A 518 3.451 10.781 13.021 1.00 51.32 H new ATOM 0 HD11 ILE A 518 -0.355 9.402 13.959 1.00 55.40 H new ATOM 0 HD12 ILE A 518 -0.553 11.045 13.304 1.00 55.40 H new ATOM 0 HD13 ILE A 518 0.679 9.957 12.622 1.00 55.40 H new ATOM 271 N GLY A 519 4.246 10.692 15.804 1.00 63.43 N ATOM 272 CA GLY A 519 5.447 9.922 15.782 1.00 71.21 C ATOM 273 C GLY A 519 5.354 8.846 14.755 1.00 4.04 C ATOM 274 O GLY A 519 6.076 8.851 13.752 1.00 41.11 O ATOM 0 H GLY A 519 3.491 10.307 16.371 1.00 63.43 H new ATOM 0 HA2 GLY A 519 6.297 10.568 15.565 1.00 71.21 H new ATOM 0 HA3 GLY A 519 5.623 9.483 16.764 1.00 71.21 H new ATOM 278 N ILE A 520 4.427 7.957 14.979 1.00 11.03 N ATOM 279 CA ILE A 520 4.198 6.835 14.120 1.00 31.11 C ATOM 280 C ILE A 520 2.821 6.930 13.508 1.00 14.24 C ATOM 281 O ILE A 520 1.828 7.140 14.218 1.00 70.40 O ATOM 282 CB ILE A 520 4.331 5.486 14.908 1.00 22.14 C ATOM 283 CG1 ILE A 520 5.784 5.227 15.324 1.00 33.34 C ATOM 284 CG2 ILE A 520 3.772 4.299 14.124 1.00 61.11 C ATOM 285 CD1 ILE A 520 6.736 5.075 14.157 1.00 21.21 C ATOM 0 H ILE A 520 3.798 7.995 15.781 1.00 11.03 H new ATOM 0 HA ILE A 520 4.951 6.850 13.333 1.00 31.11 H new ATOM 0 HB ILE A 520 3.728 5.589 15.810 1.00 22.14 H new ATOM 0 HG12 ILE A 520 6.124 6.049 15.953 1.00 33.34 H new ATOM 0 HG13 ILE A 520 5.822 4.323 15.932 1.00 33.34 H new ATOM 0 HG21 ILE A 520 3.887 3.388 14.712 1.00 61.11 H new ATOM 0 HG22 ILE A 520 2.715 4.466 13.916 1.00 61.11 H new ATOM 0 HG23 ILE A 520 4.315 4.196 13.184 1.00 61.11 H new ATOM 0 HD11 ILE A 520 7.744 4.894 14.531 1.00 21.21 H new ATOM 0 HD12 ILE A 520 6.422 4.234 13.539 1.00 21.21 H new ATOM 0 HD13 ILE A 520 6.728 5.987 13.560 1.00 21.21 H new ATOM 297 N MET A 521 2.768 6.827 12.210 1.00 60.34 N ATOM 298 CA MET A 521 1.507 6.749 11.517 1.00 72.32 C ATOM 299 C MET A 521 1.367 5.350 10.973 1.00 53.13 C ATOM 300 O MET A 521 2.357 4.766 10.515 1.00 2.44 O ATOM 301 CB MET A 521 1.347 7.861 10.420 1.00 15.01 C ATOM 302 CG MET A 521 2.293 7.822 9.204 1.00 44.14 C ATOM 303 SD MET A 521 1.802 6.616 7.941 1.00 2.11 S ATOM 304 CE MET A 521 2.932 7.018 6.607 1.00 43.25 C ATOM 0 H MET A 521 3.588 6.795 11.604 1.00 60.34 H new ATOM 0 HA MET A 521 0.691 6.948 12.211 1.00 72.32 H new ATOM 0 HB2 MET A 521 0.323 7.817 10.048 1.00 15.01 H new ATOM 0 HB3 MET A 521 1.468 8.829 10.906 1.00 15.01 H new ATOM 0 HG2 MET A 521 2.332 8.813 8.752 1.00 44.14 H new ATOM 0 HG3 MET A 521 3.301 7.588 9.546 1.00 44.14 H new ATOM 0 HE1 MET A 521 3.309 6.098 6.160 1.00 43.25 H new ATOM 0 HE2 MET A 521 2.408 7.601 5.850 1.00 43.25 H new ATOM 0 HE3 MET A 521 3.766 7.599 7.000 1.00 43.25 H new ATOM 314 N GLU A 522 0.193 4.787 11.132 1.00 70.42 N ATOM 315 CA GLU A 522 -0.107 3.449 10.657 1.00 23.52 C ATOM 316 C GLU A 522 -1.247 3.474 9.694 1.00 52.12 C ATOM 317 O GLU A 522 -2.259 4.142 9.929 1.00 61.50 O ATOM 318 CB GLU A 522 -0.444 2.501 11.792 1.00 25.52 C ATOM 319 CG GLU A 522 0.741 1.952 12.542 1.00 4.25 C ATOM 320 CD GLU A 522 0.319 1.038 13.652 1.00 75.12 C ATOM 321 OE1 GLU A 522 -0.060 1.543 14.726 1.00 42.43 O ATOM 322 OE2 GLU A 522 0.323 -0.194 13.469 1.00 74.13 O ATOM 0 H GLU A 522 -0.590 5.245 11.598 1.00 70.42 H new ATOM 0 HA GLU A 522 0.793 3.087 10.160 1.00 23.52 H new ATOM 0 HB2 GLU A 522 -1.092 3.021 12.498 1.00 25.52 H new ATOM 0 HB3 GLU A 522 -1.017 1.666 11.389 1.00 25.52 H new ATOM 0 HG2 GLU A 522 1.390 1.412 11.852 1.00 4.25 H new ATOM 0 HG3 GLU A 522 1.326 2.776 12.951 1.00 4.25 H new ATOM 329 N VAL A 523 -1.093 2.760 8.616 1.00 32.52 N ATOM 330 CA VAL A 523 -2.111 2.679 7.594 1.00 40.03 C ATOM 331 C VAL A 523 -2.485 1.229 7.389 1.00 43.05 C ATOM 332 O VAL A 523 -1.613 0.354 7.425 1.00 31.24 O ATOM 333 CB VAL A 523 -1.605 3.266 6.264 1.00 22.25 C ATOM 334 CG1 VAL A 523 -2.725 3.398 5.236 1.00 65.54 C ATOM 335 CG2 VAL A 523 -0.920 4.584 6.508 1.00 61.22 C ATOM 0 H VAL A 523 -0.256 2.213 8.415 1.00 32.52 H new ATOM 0 HA VAL A 523 -2.978 3.255 7.917 1.00 40.03 H new ATOM 0 HB VAL A 523 -0.878 2.571 5.842 1.00 22.25 H new ATOM 0 HG11 VAL A 523 -2.324 3.816 4.313 1.00 65.54 H new ATOM 0 HG12 VAL A 523 -3.151 2.415 5.034 1.00 65.54 H new ATOM 0 HG13 VAL A 523 -3.501 4.057 5.626 1.00 65.54 H new ATOM 0 HG21 VAL A 523 -0.566 4.991 5.561 1.00 61.22 H new ATOM 0 HG22 VAL A 523 -1.624 5.281 6.962 1.00 61.22 H new ATOM 0 HG23 VAL A 523 -0.073 4.435 7.178 1.00 61.22 H new ATOM 345 N LYS A 524 -3.755 0.984 7.199 1.00 51.22 N ATOM 346 CA LYS A 524 -4.281 -0.346 7.026 1.00 53.50 C ATOM 347 C LYS A 524 -4.204 -0.817 5.600 1.00 12.54 C ATOM 348 O LYS A 524 -4.421 -0.056 4.646 1.00 1.54 O ATOM 349 CB LYS A 524 -5.737 -0.412 7.468 1.00 42.10 C ATOM 350 CG LYS A 524 -5.961 -0.220 8.943 1.00 3.25 C ATOM 351 CD LYS A 524 -5.425 -1.374 9.755 1.00 42.44 C ATOM 352 CE LYS A 524 -5.869 -1.276 11.201 1.00 11.54 C ATOM 353 NZ LYS A 524 -5.395 -0.040 11.871 1.00 61.01 N ATOM 0 H LYS A 524 -4.465 1.715 7.159 1.00 51.22 H new ATOM 0 HA LYS A 524 -3.662 -0.996 7.644 1.00 53.50 H new ATOM 0 HB2 LYS A 524 -6.300 0.349 6.928 1.00 42.10 H new ATOM 0 HB3 LYS A 524 -6.147 -1.379 7.176 1.00 42.10 H new ATOM 0 HG2 LYS A 524 -5.480 0.703 9.265 1.00 3.25 H new ATOM 0 HG3 LYS A 524 -7.028 -0.107 9.135 1.00 3.25 H new ATOM 0 HD2 LYS A 524 -5.771 -2.315 9.328 1.00 42.44 H new ATOM 0 HD3 LYS A 524 -4.336 -1.383 9.705 1.00 42.44 H new ATOM 0 HE2 LYS A 524 -6.958 -1.311 11.244 1.00 11.54 H new ATOM 0 HE3 LYS A 524 -5.500 -2.144 11.748 1.00 11.54 H new ATOM 0 HZ1 LYS A 524 -5.671 -0.061 12.873 1.00 61.01 H new ATOM 0 HZ2 LYS A 524 -4.359 0.019 11.798 1.00 61.01 H new ATOM 0 HZ3 LYS A 524 -5.822 0.790 11.411 1.00 61.01 H new ATOM 367 N VAL A 525 -3.897 -2.061 5.475 1.00 20.21 N ATOM 368 CA VAL A 525 -3.932 -2.757 4.216 1.00 52.44 C ATOM 369 C VAL A 525 -5.068 -3.744 4.342 1.00 14.31 C ATOM 370 O VAL A 525 -5.037 -4.583 5.249 1.00 74.22 O ATOM 371 CB VAL A 525 -2.617 -3.534 3.939 1.00 40.10 C ATOM 372 CG1 VAL A 525 -2.601 -4.089 2.520 1.00 44.42 C ATOM 373 CG2 VAL A 525 -1.402 -2.662 4.187 1.00 64.12 C ATOM 0 H VAL A 525 -3.606 -2.646 6.259 1.00 20.21 H new ATOM 0 HA VAL A 525 -4.057 -2.051 3.395 1.00 52.44 H new ATOM 0 HB VAL A 525 -2.576 -4.373 4.634 1.00 40.10 H new ATOM 0 HG11 VAL A 525 -1.669 -4.629 2.351 1.00 44.42 H new ATOM 0 HG12 VAL A 525 -3.443 -4.768 2.385 1.00 44.42 H new ATOM 0 HG13 VAL A 525 -2.679 -3.268 1.807 1.00 44.42 H new ATOM 0 HG21 VAL A 525 -0.496 -3.234 3.985 1.00 64.12 H new ATOM 0 HG22 VAL A 525 -1.437 -1.793 3.529 1.00 64.12 H new ATOM 0 HG23 VAL A 525 -1.398 -2.331 5.226 1.00 64.12 H new ATOM 383 N LEU A 526 -6.074 -3.629 3.484 1.00 44.04 N ATOM 384 CA LEU A 526 -7.271 -4.466 3.597 1.00 65.32 C ATOM 385 C LEU A 526 -6.919 -5.919 3.432 1.00 52.22 C ATOM 386 O LEU A 526 -6.142 -6.288 2.536 1.00 45.22 O ATOM 387 CB LEU A 526 -8.372 -4.107 2.571 1.00 31.42 C ATOM 388 CG LEU A 526 -9.024 -2.705 2.624 1.00 74.24 C ATOM 389 CD1 LEU A 526 -9.594 -2.373 3.992 1.00 23.31 C ATOM 390 CD2 LEU A 526 -8.079 -1.635 2.166 1.00 52.33 C ATOM 0 H LEU A 526 -6.089 -2.970 2.706 1.00 44.04 H new ATOM 0 HA LEU A 526 -7.669 -4.275 4.594 1.00 65.32 H new ATOM 0 HB2 LEU A 526 -7.947 -4.234 1.575 1.00 31.42 H new ATOM 0 HB3 LEU A 526 -9.169 -4.844 2.673 1.00 31.42 H new ATOM 0 HG LEU A 526 -9.863 -2.737 1.928 1.00 74.24 H new ATOM 0 HD11 LEU A 526 -10.038 -1.378 3.969 1.00 23.31 H new ATOM 0 HD12 LEU A 526 -10.357 -3.105 4.256 1.00 23.31 H new ATOM 0 HD13 LEU A 526 -8.796 -2.397 4.734 1.00 23.31 H new ATOM 0 HD21 LEU A 526 -8.574 -0.665 2.218 1.00 52.33 H new ATOM 0 HD22 LEU A 526 -7.199 -1.628 2.809 1.00 52.33 H new ATOM 0 HD23 LEU A 526 -7.776 -1.833 1.138 1.00 52.33 H new ATOM 402 N ARG A 527 -7.477 -6.742 4.276 1.00 14.11 N ATOM 403 CA ARG A 527 -7.209 -8.138 4.203 1.00 75.50 C ATOM 404 C ARG A 527 -8.137 -8.753 3.190 1.00 33.33 C ATOM 405 O ARG A 527 -9.318 -8.408 3.112 1.00 20.10 O ATOM 406 CB ARG A 527 -7.318 -8.815 5.568 1.00 60.33 C ATOM 407 CG ARG A 527 -6.952 -10.283 5.546 1.00 41.32 C ATOM 408 CD ARG A 527 -6.926 -10.893 6.936 1.00 52.40 C ATOM 409 NE ARG A 527 -8.257 -10.957 7.555 1.00 43.11 N ATOM 410 CZ ARG A 527 -8.805 -12.061 8.107 1.00 3.32 C ATOM 411 NH1 ARG A 527 -8.164 -13.233 8.057 1.00 20.34 N ATOM 412 NH2 ARG A 527 -9.991 -11.987 8.704 1.00 3.05 N ATOM 0 H ARG A 527 -8.118 -6.464 5.019 1.00 14.11 H new ATOM 0 HA ARG A 527 -6.178 -8.290 3.883 1.00 75.50 H new ATOM 0 HB2 ARG A 527 -6.668 -8.298 6.274 1.00 60.33 H new ATOM 0 HB3 ARG A 527 -8.338 -8.709 5.937 1.00 60.33 H new ATOM 0 HG2 ARG A 527 -7.668 -10.824 4.928 1.00 41.32 H new ATOM 0 HG3 ARG A 527 -5.974 -10.404 5.081 1.00 41.32 H new ATOM 0 HD2 ARG A 527 -6.508 -11.898 6.879 1.00 52.40 H new ATOM 0 HD3 ARG A 527 -6.262 -10.308 7.572 1.00 52.40 H new ATOM 0 HE ARG A 527 -8.811 -10.100 7.569 1.00 43.11 H new ATOM 0 HH11 ARG A 527 -7.255 -13.298 7.600 1.00 20.34 H new ATOM 0 HH12 ARG A 527 -8.584 -14.062 8.476 1.00 20.34 H new ATOM 0 HH21 ARG A 527 -10.487 -11.096 8.745 1.00 3.05 H new ATOM 0 HH22 ARG A 527 -10.405 -12.821 9.121 1.00 3.05 H new ATOM 426 N THR A 528 -7.599 -9.631 2.423 1.00 32.44 N ATOM 427 CA THR A 528 -8.256 -10.182 1.320 1.00 45.41 C ATOM 428 C THR A 528 -8.976 -11.508 1.596 1.00 4.12 C ATOM 429 O THR A 528 -8.819 -12.148 2.642 1.00 64.24 O ATOM 430 CB THR A 528 -7.217 -10.387 0.209 1.00 22.10 C ATOM 431 OG1 THR A 528 -7.818 -10.920 -0.976 1.00 21.21 O ATOM 432 CG2 THR A 528 -6.080 -11.300 0.675 1.00 71.22 C ATOM 0 H THR A 528 -6.655 -9.991 2.561 1.00 32.44 H new ATOM 0 HA THR A 528 -9.042 -9.482 1.035 1.00 45.41 H new ATOM 0 HB THR A 528 -6.802 -9.407 -0.026 1.00 22.10 H new ATOM 0 HG1 THR A 528 -8.616 -10.397 -1.202 1.00 21.21 H new ATOM 0 HG21 THR A 528 -5.360 -11.426 -0.134 1.00 71.22 H new ATOM 0 HG22 THR A 528 -5.584 -10.853 1.536 1.00 71.22 H new ATOM 0 HG23 THR A 528 -6.486 -12.272 0.955 1.00 71.22 H new ATOM 440 N SER A 529 -9.744 -11.848 0.588 1.00 12.34 N ATOM 441 CA SER A 529 -10.464 -13.042 0.338 1.00 54.32 C ATOM 442 C SER A 529 -9.567 -14.286 0.512 1.00 70.14 C ATOM 443 O SER A 529 -10.018 -15.352 0.952 1.00 62.21 O ATOM 444 CB SER A 529 -10.799 -12.875 -1.137 1.00 1.03 C ATOM 445 OG SER A 529 -11.283 -11.554 -1.362 1.00 42.15 O ATOM 0 H SER A 529 -9.887 -11.187 -0.175 1.00 12.34 H new ATOM 0 HA SER A 529 -11.315 -13.186 1.004 1.00 54.32 H new ATOM 0 HB2 SER A 529 -9.914 -13.059 -1.746 1.00 1.03 H new ATOM 0 HB3 SER A 529 -11.550 -13.606 -1.436 1.00 1.03 H new ATOM 0 HG SER A 529 -11.498 -11.442 -2.311 1.00 42.15 H new ATOM 451 N GLY A 530 -8.304 -14.135 0.164 1.00 32.03 N ATOM 452 CA GLY A 530 -7.394 -15.234 0.225 1.00 54.41 C ATOM 453 C GLY A 530 -6.222 -14.980 1.120 1.00 52.15 C ATOM 454 O GLY A 530 -5.093 -14.815 0.652 1.00 61.24 O ATOM 0 H GLY A 530 -7.896 -13.259 -0.162 1.00 32.03 H new ATOM 0 HA2 GLY A 530 -7.926 -16.119 0.576 1.00 54.41 H new ATOM 0 HA3 GLY A 530 -7.034 -15.456 -0.780 1.00 54.41 H new ATOM 458 N ALA A 531 -6.476 -14.902 2.393 1.00 14.02 N ATOM 459 CA ALA A 531 -5.425 -14.802 3.359 1.00 25.03 C ATOM 460 C ALA A 531 -5.023 -16.213 3.710 1.00 65.22 C ATOM 461 O ALA A 531 -5.557 -16.810 4.643 1.00 63.14 O ATOM 462 CB ALA A 531 -5.887 -14.037 4.593 1.00 54.35 C ATOM 0 H ALA A 531 -7.416 -14.906 2.789 1.00 14.02 H new ATOM 0 HA ALA A 531 -4.577 -14.249 2.955 1.00 25.03 H new ATOM 0 HB1 ALA A 531 -5.069 -13.976 5.311 1.00 54.35 H new ATOM 0 HB2 ALA A 531 -6.192 -13.031 4.304 1.00 54.35 H new ATOM 0 HB3 ALA A 531 -6.731 -14.556 5.048 1.00 54.35 H new ATOM 468 N ARG A 532 -4.172 -16.782 2.893 1.00 74.02 N ATOM 469 CA ARG A 532 -3.797 -18.161 3.033 1.00 63.43 C ATOM 470 C ARG A 532 -2.314 -18.333 3.235 1.00 73.20 C ATOM 471 O ARG A 532 -1.505 -17.660 2.601 1.00 34.21 O ATOM 472 CB ARG A 532 -4.263 -18.967 1.815 1.00 31.02 C ATOM 473 CG ARG A 532 -5.775 -19.034 1.647 1.00 71.14 C ATOM 474 CD ARG A 532 -6.418 -19.665 2.863 1.00 62.31 C ATOM 475 NE ARG A 532 -7.852 -19.866 2.712 1.00 44.23 N ATOM 476 CZ ARG A 532 -8.609 -20.575 3.558 1.00 41.24 C ATOM 477 NH1 ARG A 532 -8.070 -21.097 4.663 1.00 33.34 N ATOM 478 NH2 ARG A 532 -9.899 -20.742 3.313 1.00 61.01 N ATOM 0 H ARG A 532 -3.722 -16.301 2.114 1.00 74.02 H new ATOM 0 HA ARG A 532 -4.292 -18.539 3.928 1.00 63.43 H new ATOM 0 HB2 ARG A 532 -3.829 -18.529 0.917 1.00 31.02 H new ATOM 0 HB3 ARG A 532 -3.873 -19.982 1.895 1.00 31.02 H new ATOM 0 HG2 ARG A 532 -6.175 -18.031 1.497 1.00 71.14 H new ATOM 0 HG3 ARG A 532 -6.022 -19.612 0.757 1.00 71.14 H new ATOM 0 HD2 ARG A 532 -5.942 -20.625 3.061 1.00 62.31 H new ATOM 0 HD3 ARG A 532 -6.235 -19.033 3.732 1.00 62.31 H new ATOM 0 HE ARG A 532 -8.310 -19.438 1.908 1.00 44.23 H new ATOM 0 HH11 ARG A 532 -7.080 -20.956 4.863 1.00 33.34 H new ATOM 0 HH12 ARG A 532 -8.648 -21.637 5.307 1.00 33.34 H new ATOM 0 HH21 ARG A 532 -10.317 -20.330 2.479 1.00 61.01 H new ATOM 0 HH22 ARG A 532 -10.475 -21.283 3.958 1.00 61.01 H new ATOM 492 N GLY A 533 -1.982 -19.213 4.155 1.00 3.42 N ATOM 493 CA GLY A 533 -0.615 -19.563 4.434 1.00 14.51 C ATOM 494 C GLY A 533 0.130 -18.438 5.080 1.00 33.22 C ATOM 495 O GLY A 533 -0.254 -17.948 6.134 1.00 22.53 O ATOM 0 H GLY A 533 -2.662 -19.707 4.732 1.00 3.42 H new ATOM 0 HA2 GLY A 533 -0.590 -20.436 5.086 1.00 14.51 H new ATOM 0 HA3 GLY A 533 -0.116 -19.843 3.506 1.00 14.51 H new ATOM 499 N ASN A 534 1.171 -18.028 4.446 1.00 20.11 N ATOM 500 CA ASN A 534 1.983 -16.931 4.883 1.00 25.25 C ATOM 501 C ASN A 534 2.277 -16.113 3.652 1.00 25.21 C ATOM 502 O ASN A 534 2.734 -16.657 2.638 1.00 32.20 O ATOM 503 CB ASN A 534 3.268 -17.472 5.542 1.00 2.40 C ATOM 504 CG ASN A 534 4.257 -16.422 6.072 1.00 32.21 C ATOM 505 OD1 ASN A 534 5.464 -16.660 6.079 1.00 35.04 O ATOM 506 ND2 ASN A 534 3.784 -15.290 6.540 1.00 43.25 N ATOM 0 H ASN A 534 1.498 -18.456 3.580 1.00 20.11 H new ATOM 0 HA ASN A 534 1.486 -16.313 5.631 1.00 25.25 H new ATOM 0 HB2 ASN A 534 2.981 -18.120 6.370 1.00 2.40 H new ATOM 0 HB3 ASN A 534 3.788 -18.096 4.815 1.00 2.40 H new ATOM 0 HD21 ASN A 534 4.421 -14.589 6.918 1.00 43.25 H new ATOM 0 HD22 ASN A 534 2.780 -15.112 6.525 1.00 43.25 H new ATOM 513 N VAL A 535 1.945 -14.846 3.694 1.00 33.40 N ATOM 514 CA VAL A 535 2.097 -13.984 2.551 1.00 71.31 C ATOM 515 C VAL A 535 2.893 -12.777 2.938 1.00 54.24 C ATOM 516 O VAL A 535 2.545 -12.051 3.868 1.00 23.21 O ATOM 517 CB VAL A 535 0.732 -13.545 1.949 1.00 62.22 C ATOM 518 CG1 VAL A 535 0.930 -12.673 0.717 1.00 30.12 C ATOM 519 CG2 VAL A 535 -0.093 -14.755 1.589 1.00 20.23 C ATOM 0 H VAL A 535 1.563 -14.386 4.520 1.00 33.40 H new ATOM 0 HA VAL A 535 2.620 -14.551 1.781 1.00 71.31 H new ATOM 0 HB VAL A 535 0.206 -12.961 2.704 1.00 62.22 H new ATOM 0 HG11 VAL A 535 -0.041 -12.381 0.318 1.00 30.12 H new ATOM 0 HG12 VAL A 535 1.493 -11.780 0.990 1.00 30.12 H new ATOM 0 HG13 VAL A 535 1.480 -13.232 -0.040 1.00 30.12 H new ATOM 0 HG21 VAL A 535 -1.046 -14.434 1.169 1.00 20.23 H new ATOM 0 HG22 VAL A 535 0.443 -15.356 0.855 1.00 20.23 H new ATOM 0 HG23 VAL A 535 -0.274 -15.351 2.483 1.00 20.23 H new ATOM 529 N ILE A 536 3.955 -12.576 2.253 1.00 61.20 N ATOM 530 CA ILE A 536 4.821 -11.487 2.543 1.00 2.21 C ATOM 531 C ILE A 536 4.522 -10.334 1.624 1.00 72.34 C ATOM 532 O ILE A 536 4.440 -10.507 0.400 1.00 14.41 O ATOM 533 CB ILE A 536 6.306 -11.918 2.461 1.00 31.12 C ATOM 534 CG1 ILE A 536 6.582 -13.023 3.491 1.00 30.22 C ATOM 535 CG2 ILE A 536 7.232 -10.744 2.681 1.00 13.11 C ATOM 536 CD1 ILE A 536 6.201 -12.640 4.912 1.00 32.25 C ATOM 0 H ILE A 536 4.253 -13.161 1.472 1.00 61.20 H new ATOM 0 HA ILE A 536 4.643 -11.159 3.567 1.00 2.21 H new ATOM 0 HB ILE A 536 6.498 -12.304 1.460 1.00 31.12 H new ATOM 0 HG12 ILE A 536 6.032 -13.920 3.206 1.00 30.22 H new ATOM 0 HG13 ILE A 536 7.642 -13.277 3.464 1.00 30.22 H new ATOM 0 HG21 ILE A 536 8.267 -11.080 2.617 1.00 13.11 H new ATOM 0 HG22 ILE A 536 7.048 -9.988 1.918 1.00 13.11 H new ATOM 0 HG23 ILE A 536 7.050 -10.316 3.667 1.00 13.11 H new ATOM 0 HD11 ILE A 536 6.424 -13.468 5.584 1.00 32.25 H new ATOM 0 HD12 ILE A 536 6.770 -11.762 5.217 1.00 32.25 H new ATOM 0 HD13 ILE A 536 5.135 -12.415 4.955 1.00 32.25 H new ATOM 548 N VAL A 537 4.300 -9.188 2.214 1.00 14.24 N ATOM 549 CA VAL A 537 3.990 -7.991 1.482 1.00 54.03 C ATOM 550 C VAL A 537 5.143 -6.965 1.622 1.00 4.12 C ATOM 551 O VAL A 537 5.302 -6.342 2.667 1.00 14.23 O ATOM 552 CB VAL A 537 2.635 -7.369 1.960 1.00 41.44 C ATOM 553 CG1 VAL A 537 2.334 -6.066 1.223 1.00 42.33 C ATOM 554 CG2 VAL A 537 1.491 -8.356 1.739 1.00 62.04 C ATOM 0 H VAL A 537 4.330 -9.060 3.225 1.00 14.24 H new ATOM 0 HA VAL A 537 3.880 -8.254 0.430 1.00 54.03 H new ATOM 0 HB VAL A 537 2.727 -7.152 3.024 1.00 41.44 H new ATOM 0 HG11 VAL A 537 1.387 -5.658 1.577 1.00 42.33 H new ATOM 0 HG12 VAL A 537 3.132 -5.348 1.413 1.00 42.33 H new ATOM 0 HG13 VAL A 537 2.268 -6.260 0.152 1.00 42.33 H new ATOM 0 HG21 VAL A 537 0.555 -7.910 2.076 1.00 62.04 H new ATOM 0 HG22 VAL A 537 1.417 -8.596 0.678 1.00 62.04 H new ATOM 0 HG23 VAL A 537 1.683 -9.268 2.305 1.00 62.04 H new ATOM 564 N PRO A 538 5.994 -6.827 0.595 1.00 62.14 N ATOM 565 CA PRO A 538 7.108 -5.868 0.611 1.00 13.23 C ATOM 566 C PRO A 538 6.620 -4.435 0.413 1.00 20.43 C ATOM 567 O PRO A 538 5.604 -4.209 -0.245 1.00 15.55 O ATOM 568 CB PRO A 538 7.968 -6.305 -0.572 1.00 11.11 C ATOM 569 CG PRO A 538 7.013 -6.945 -1.512 1.00 22.24 C ATOM 570 CD PRO A 538 5.946 -7.587 -0.666 1.00 30.13 C ATOM 0 HA PRO A 538 7.642 -5.868 1.561 1.00 13.23 H new ATOM 0 HB2 PRO A 538 8.469 -5.454 -1.034 1.00 11.11 H new ATOM 0 HB3 PRO A 538 8.746 -7.002 -0.261 1.00 11.11 H new ATOM 0 HG2 PRO A 538 6.581 -6.207 -2.188 1.00 22.24 H new ATOM 0 HG3 PRO A 538 7.517 -7.688 -2.131 1.00 22.24 H new ATOM 0 HD2 PRO A 538 4.966 -7.518 -1.138 1.00 30.13 H new ATOM 0 HD3 PRO A 538 6.148 -8.646 -0.503 1.00 30.13 H new ATOM 578 N TYR A 539 7.329 -3.482 0.974 1.00 13.35 N ATOM 579 CA TYR A 539 6.939 -2.082 0.881 1.00 41.32 C ATOM 580 C TYR A 539 8.151 -1.189 1.039 1.00 21.15 C ATOM 581 O TYR A 539 9.222 -1.663 1.464 1.00 42.33 O ATOM 582 CB TYR A 539 5.891 -1.742 1.962 1.00 10.25 C ATOM 583 CG TYR A 539 6.392 -1.838 3.394 1.00 43.31 C ATOM 584 CD1 TYR A 539 6.621 -3.068 3.985 1.00 20.41 C ATOM 585 CD2 TYR A 539 6.625 -0.697 4.152 1.00 35.22 C ATOM 586 CE1 TYR A 539 7.072 -3.165 5.275 1.00 53.23 C ATOM 587 CE2 TYR A 539 7.075 -0.788 5.452 1.00 32.24 C ATOM 588 CZ TYR A 539 7.299 -2.031 6.005 1.00 61.34 C ATOM 589 OH TYR A 539 7.751 -2.138 7.295 1.00 44.54 O ATOM 0 H TYR A 539 8.185 -3.646 1.504 1.00 13.35 H new ATOM 0 HA TYR A 539 6.499 -1.911 -0.101 1.00 41.32 H new ATOM 0 HB2 TYR A 539 5.526 -0.730 1.788 1.00 10.25 H new ATOM 0 HB3 TYR A 539 5.040 -2.412 1.845 1.00 10.25 H new ATOM 0 HD1 TYR A 539 6.441 -3.969 3.418 1.00 20.41 H new ATOM 0 HD2 TYR A 539 6.451 0.276 3.716 1.00 35.22 H new ATOM 0 HE1 TYR A 539 7.248 -4.136 5.715 1.00 53.23 H new ATOM 0 HE2 TYR A 539 7.250 0.106 6.032 1.00 32.24 H new ATOM 0 HH TYR A 539 7.864 -1.243 7.677 1.00 44.54 H new ATOM 599 N LYS A 540 7.997 0.072 0.695 1.00 44.51 N ATOM 600 CA LYS A 540 9.050 1.055 0.850 1.00 51.54 C ATOM 601 C LYS A 540 8.456 2.456 0.901 1.00 0.14 C ATOM 602 O LYS A 540 7.320 2.675 0.443 1.00 52.45 O ATOM 603 CB LYS A 540 10.057 0.981 -0.307 1.00 61.43 C ATOM 604 CG LYS A 540 9.471 1.307 -1.666 1.00 54.53 C ATOM 605 CD LYS A 540 10.540 1.326 -2.730 1.00 4.33 C ATOM 606 CE LYS A 540 9.956 1.718 -4.069 1.00 64.31 C ATOM 607 NZ LYS A 540 10.957 1.681 -5.159 1.00 40.04 N ATOM 0 H LYS A 540 7.135 0.446 0.298 1.00 44.51 H new ATOM 0 HA LYS A 540 9.570 0.837 1.783 1.00 51.54 H new ATOM 0 HB2 LYS A 540 10.877 1.669 -0.104 1.00 61.43 H new ATOM 0 HB3 LYS A 540 10.483 -0.022 -0.339 1.00 61.43 H new ATOM 0 HG2 LYS A 540 8.711 0.570 -1.924 1.00 54.53 H new ATOM 0 HG3 LYS A 540 8.975 2.277 -1.628 1.00 54.53 H new ATOM 0 HD2 LYS A 540 11.325 2.028 -2.451 1.00 4.33 H new ATOM 0 HD3 LYS A 540 11.004 0.342 -2.804 1.00 4.33 H new ATOM 0 HE2 LYS A 540 9.133 1.046 -4.313 1.00 64.31 H new ATOM 0 HE3 LYS A 540 9.537 2.722 -3.999 1.00 64.31 H new ATOM 0 HZ1 LYS A 540 10.506 1.958 -6.054 1.00 40.04 H new ATOM 0 HZ2 LYS A 540 11.731 2.342 -4.942 1.00 40.04 H new ATOM 0 HZ3 LYS A 540 11.339 0.718 -5.247 1.00 40.04 H new ATOM 621 N THR A 541 9.193 3.370 1.479 1.00 11.21 N ATOM 622 CA THR A 541 8.852 4.770 1.493 1.00 1.21 C ATOM 623 C THR A 541 9.587 5.493 0.363 1.00 64.15 C ATOM 624 O THR A 541 10.816 5.583 0.377 1.00 61.02 O ATOM 625 CB THR A 541 9.253 5.404 2.839 1.00 63.22 C ATOM 626 OG1 THR A 541 10.507 4.848 3.284 1.00 72.11 O ATOM 627 CG2 THR A 541 8.208 5.187 3.904 1.00 33.55 C ATOM 0 H THR A 541 10.065 3.157 1.963 1.00 11.21 H new ATOM 0 HA THR A 541 7.775 4.866 1.355 1.00 1.21 H new ATOM 0 HB THR A 541 9.349 6.478 2.678 1.00 63.22 H new ATOM 0 HG1 THR A 541 11.228 5.152 2.693 1.00 72.11 H new ATOM 0 HG21 THR A 541 8.535 5.651 4.834 1.00 33.55 H new ATOM 0 HG22 THR A 541 7.266 5.635 3.586 1.00 33.55 H new ATOM 0 HG23 THR A 541 8.066 4.118 4.062 1.00 33.55 H new ATOM 635 N ILE A 542 8.862 5.959 -0.619 1.00 3.01 N ATOM 636 CA ILE A 542 9.460 6.706 -1.708 1.00 72.32 C ATOM 637 C ILE A 542 9.657 8.141 -1.239 1.00 62.34 C ATOM 638 O ILE A 542 8.691 8.778 -0.811 1.00 43.54 O ATOM 639 CB ILE A 542 8.591 6.699 -3.030 1.00 13.20 C ATOM 640 CG1 ILE A 542 8.417 5.288 -3.640 1.00 63.23 C ATOM 641 CG2 ILE A 542 9.168 7.637 -4.080 1.00 71.14 C ATOM 642 CD1 ILE A 542 7.447 4.382 -2.915 1.00 32.31 C ATOM 0 H ILE A 542 7.852 5.837 -0.693 1.00 3.01 H new ATOM 0 HA ILE A 542 10.405 6.226 -1.962 1.00 72.32 H new ATOM 0 HB ILE A 542 7.604 7.051 -2.729 1.00 13.20 H new ATOM 0 HG12 ILE A 542 8.085 5.396 -4.672 1.00 63.23 H new ATOM 0 HG13 ILE A 542 9.391 4.800 -3.668 1.00 63.23 H new ATOM 0 HG21 ILE A 542 8.547 7.608 -4.975 1.00 71.14 H new ATOM 0 HG22 ILE A 542 9.190 8.653 -3.687 1.00 71.14 H new ATOM 0 HG23 ILE A 542 10.181 7.323 -4.331 1.00 71.14 H new ATOM 0 HD11 ILE A 542 7.399 3.419 -3.423 1.00 32.31 H new ATOM 0 HD12 ILE A 542 7.784 4.234 -1.889 1.00 32.31 H new ATOM 0 HD13 ILE A 542 6.457 4.839 -2.909 1.00 32.31 H new ATOM 654 N GLU A 543 10.905 8.616 -1.296 1.00 50.54 N ATOM 655 CA GLU A 543 11.284 9.962 -0.853 1.00 3.42 C ATOM 656 C GLU A 543 10.447 11.023 -1.562 1.00 22.15 C ATOM 657 O GLU A 543 9.840 11.892 -0.914 1.00 11.24 O ATOM 658 CB GLU A 543 12.782 10.198 -1.104 1.00 65.12 C ATOM 659 CG GLU A 543 13.691 9.211 -0.380 1.00 34.33 C ATOM 660 CD GLU A 543 15.160 9.407 -0.690 1.00 13.12 C ATOM 661 OE1 GLU A 543 15.662 8.831 -1.673 1.00 11.14 O ATOM 662 OE2 GLU A 543 15.859 10.120 0.059 1.00 1.45 O ATOM 0 H GLU A 543 11.689 8.071 -1.655 1.00 50.54 H new ATOM 0 HA GLU A 543 11.091 10.041 0.217 1.00 3.42 H new ATOM 0 HB2 GLU A 543 12.975 10.137 -2.175 1.00 65.12 H new ATOM 0 HB3 GLU A 543 13.038 11.210 -0.791 1.00 65.12 H new ATOM 0 HG2 GLU A 543 13.538 9.309 0.695 1.00 34.33 H new ATOM 0 HG3 GLU A 543 13.402 8.196 -0.652 1.00 34.33 H new ATOM 669 N GLY A 544 10.426 10.953 -2.884 1.00 65.04 N ATOM 670 CA GLY A 544 9.603 11.829 -3.690 1.00 3.40 C ATOM 671 C GLY A 544 10.102 13.254 -3.718 1.00 62.31 C ATOM 672 O GLY A 544 10.747 13.680 -4.676 1.00 53.34 O ATOM 0 H GLY A 544 10.979 10.287 -3.424 1.00 65.04 H new ATOM 0 HA2 GLY A 544 9.564 11.444 -4.709 1.00 3.40 H new ATOM 0 HA3 GLY A 544 8.583 11.815 -3.305 1.00 3.40 H new ATOM 676 N THR A 545 9.801 13.986 -2.689 1.00 45.04 N ATOM 677 CA THR A 545 10.198 15.365 -2.592 1.00 1.04 C ATOM 678 C THR A 545 10.774 15.653 -1.186 1.00 31.54 C ATOM 679 O THR A 545 11.325 16.723 -0.924 1.00 62.22 O ATOM 680 CB THR A 545 8.987 16.301 -2.912 1.00 34.02 C ATOM 681 OG1 THR A 545 9.389 17.677 -2.956 1.00 25.14 O ATOM 682 CG2 THR A 545 7.869 16.129 -1.885 1.00 70.14 C ATOM 0 H THR A 545 9.271 13.646 -1.887 1.00 45.04 H new ATOM 0 HA THR A 545 10.979 15.565 -3.326 1.00 1.04 H new ATOM 0 HB THR A 545 8.612 16.013 -3.894 1.00 34.02 H new ATOM 0 HG1 THR A 545 10.215 17.793 -2.441 1.00 25.14 H new ATOM 0 HG21 THR A 545 7.041 16.793 -2.134 1.00 70.14 H new ATOM 0 HG22 THR A 545 7.522 15.096 -1.895 1.00 70.14 H new ATOM 0 HG23 THR A 545 8.246 16.376 -0.892 1.00 70.14 H new ATOM 690 N ALA A 546 10.664 14.674 -0.296 1.00 52.41 N ATOM 691 CA ALA A 546 11.142 14.811 1.063 1.00 11.13 C ATOM 692 C ALA A 546 12.658 14.590 1.157 1.00 22.30 C ATOM 693 O ALA A 546 13.345 14.423 0.142 1.00 13.44 O ATOM 694 CB ALA A 546 10.406 13.827 1.960 1.00 42.35 C ATOM 0 H ALA A 546 10.242 13.768 -0.501 1.00 52.41 H new ATOM 0 HA ALA A 546 10.942 15.830 1.395 1.00 11.13 H new ATOM 0 HB1 ALA A 546 10.765 13.929 2.984 1.00 42.35 H new ATOM 0 HB2 ALA A 546 9.337 14.035 1.928 1.00 42.35 H new ATOM 0 HB3 ALA A 546 10.588 12.810 1.611 1.00 42.35 H new ATOM 700 N ARG A 547 13.163 14.623 2.368 1.00 61.33 N ATOM 701 CA ARG A 547 14.575 14.388 2.657 1.00 42.13 C ATOM 702 C ARG A 547 14.855 12.922 2.802 1.00 35.11 C ATOM 703 O ARG A 547 13.957 12.102 2.709 1.00 51.05 O ATOM 704 CB ARG A 547 15.059 15.090 3.900 1.00 60.32 C ATOM 705 CG ARG A 547 15.057 16.586 3.861 1.00 63.22 C ATOM 706 CD ARG A 547 15.923 17.129 2.741 1.00 35.25 C ATOM 707 NE ARG A 547 15.910 18.590 2.713 1.00 2.42 N ATOM 708 CZ ARG A 547 15.387 19.333 1.724 1.00 23.52 C ATOM 709 NH1 ARG A 547 14.829 18.748 0.667 1.00 25.54 N ATOM 710 NH2 ARG A 547 15.431 20.652 1.790 1.00 22.34 N ATOM 0 H ARG A 547 12.603 14.816 3.199 1.00 61.33 H new ATOM 0 HA ARG A 547 15.115 14.801 1.805 1.00 42.13 H new ATOM 0 HB2 ARG A 547 14.439 14.769 4.737 1.00 60.32 H new ATOM 0 HB3 ARG A 547 16.075 14.755 4.108 1.00 60.32 H new ATOM 0 HG2 ARG A 547 14.035 16.943 3.734 1.00 63.22 H new ATOM 0 HG3 ARG A 547 15.414 16.973 4.815 1.00 63.22 H new ATOM 0 HD2 ARG A 547 16.946 16.776 2.867 1.00 35.25 H new ATOM 0 HD3 ARG A 547 15.568 16.743 1.786 1.00 35.25 H new ATOM 0 HE ARG A 547 16.329 19.082 3.503 1.00 2.42 H new ATOM 0 HH11 ARG A 547 14.797 17.730 0.605 1.00 25.54 H new ATOM 0 HH12 ARG A 547 14.433 19.317 -0.081 1.00 25.54 H new ATOM 0 HH21 ARG A 547 15.863 21.108 2.593 1.00 22.34 H new ATOM 0 HH22 ARG A 547 15.033 21.214 1.037 1.00 22.34 H new ATOM 724 N GLY A 548 16.105 12.614 3.007 1.00 12.01 N ATOM 725 CA GLY A 548 16.548 11.238 3.108 1.00 5.44 C ATOM 726 C GLY A 548 15.975 10.474 4.314 1.00 22.33 C ATOM 727 O GLY A 548 15.286 11.051 5.187 1.00 12.43 O ATOM 0 H GLY A 548 16.850 13.303 3.110 1.00 12.01 H new ATOM 0 HA2 GLY A 548 16.271 10.712 2.195 1.00 5.44 H new ATOM 0 HA3 GLY A 548 17.636 11.223 3.167 1.00 5.44 H new ATOM 731 N GLY A 549 16.276 9.191 4.362 1.00 70.14 N ATOM 732 CA GLY A 549 15.813 8.323 5.415 1.00 41.33 C ATOM 733 C GLY A 549 16.429 8.657 6.749 1.00 70.02 C ATOM 734 O GLY A 549 17.656 8.731 6.884 1.00 21.52 O ATOM 0 H GLY A 549 16.853 8.723 3.664 1.00 70.14 H new ATOM 0 HA2 GLY A 549 14.728 8.395 5.491 1.00 41.33 H new ATOM 0 HA3 GLY A 549 16.046 7.290 5.159 1.00 41.33 H new ATOM 738 N GLY A 550 15.573 8.932 7.707 1.00 70.11 N ATOM 739 CA GLY A 550 15.983 9.260 9.049 1.00 30.43 C ATOM 740 C GLY A 550 16.346 10.713 9.151 1.00 64.24 C ATOM 741 O GLY A 550 16.768 11.191 10.198 1.00 74.55 O ATOM 0 H GLY A 550 14.562 8.934 7.572 1.00 70.11 H new ATOM 0 HA2 GLY A 550 15.178 9.031 9.747 1.00 30.43 H new ATOM 0 HA3 GLY A 550 16.837 8.646 9.335 1.00 30.43 H new ATOM 745 N GLU A 551 16.171 11.411 8.054 1.00 64.51 N ATOM 746 CA GLU A 551 16.495 12.796 7.965 1.00 25.45 C ATOM 747 C GLU A 551 15.233 13.616 8.204 1.00 62.14 C ATOM 748 O GLU A 551 15.087 14.198 9.257 1.00 62.21 O ATOM 749 CB GLU A 551 17.160 13.064 6.606 1.00 22.25 C ATOM 750 CG GLU A 551 17.666 14.466 6.353 1.00 11.42 C ATOM 751 CD GLU A 551 18.520 14.509 5.105 1.00 34.13 C ATOM 752 OE1 GLU A 551 17.988 14.474 3.985 1.00 61.23 O ATOM 753 OE2 GLU A 551 19.764 14.520 5.231 1.00 41.13 O ATOM 0 H GLU A 551 15.794 11.018 7.192 1.00 64.51 H new ATOM 0 HA GLU A 551 17.211 13.094 8.730 1.00 25.45 H new ATOM 0 HB2 GLU A 551 17.999 12.377 6.498 1.00 22.25 H new ATOM 0 HB3 GLU A 551 16.443 12.817 5.823 1.00 22.25 H new ATOM 0 HG2 GLU A 551 16.823 15.149 6.246 1.00 11.42 H new ATOM 0 HG3 GLU A 551 18.247 14.808 7.209 1.00 11.42 H new ATOM 760 N ASP A 552 14.297 13.589 7.267 1.00 14.15 N ATOM 761 CA ASP A 552 13.025 14.326 7.454 1.00 4.33 C ATOM 762 C ASP A 552 11.912 13.329 7.738 1.00 24.33 C ATOM 763 O ASP A 552 10.911 13.635 8.391 1.00 23.23 O ATOM 764 CB ASP A 552 12.700 15.183 6.224 1.00 32.01 C ATOM 765 CG ASP A 552 11.531 16.126 6.392 1.00 30.51 C ATOM 766 OD1 ASP A 552 10.403 15.741 6.116 1.00 1.44 O ATOM 767 OD2 ASP A 552 11.760 17.339 6.745 1.00 42.33 O ATOM 0 H ASP A 552 14.376 13.082 6.385 1.00 14.15 H new ATOM 0 HA ASP A 552 13.122 15.005 8.301 1.00 4.33 H new ATOM 0 HB2 ASP A 552 13.583 15.766 5.963 1.00 32.01 H new ATOM 0 HB3 ASP A 552 12.495 14.521 5.383 1.00 32.01 H new ATOM 772 N PHE A 553 12.106 12.116 7.267 1.00 23.43 N ATOM 773 CA PHE A 553 11.208 11.036 7.557 1.00 44.11 C ATOM 774 C PHE A 553 12.051 9.809 7.720 1.00 22.45 C ATOM 775 O PHE A 553 13.131 9.739 7.150 1.00 22.42 O ATOM 776 CB PHE A 553 10.153 10.822 6.453 1.00 71.23 C ATOM 777 CG PHE A 553 10.643 10.191 5.166 1.00 45.04 C ATOM 778 CD1 PHE A 553 11.102 10.961 4.122 1.00 1.44 C ATOM 779 CD2 PHE A 553 10.613 8.814 5.010 1.00 74.42 C ATOM 780 CE1 PHE A 553 11.524 10.369 2.944 1.00 25.25 C ATOM 781 CE2 PHE A 553 11.039 8.222 3.843 1.00 33.14 C ATOM 782 CZ PHE A 553 11.492 8.999 2.807 1.00 23.12 C ATOM 0 H PHE A 553 12.894 11.858 6.672 1.00 23.43 H new ATOM 0 HA PHE A 553 10.644 11.265 8.461 1.00 44.11 H new ATOM 0 HB2 PHE A 553 9.357 10.198 6.858 1.00 71.23 H new ATOM 0 HB3 PHE A 553 9.709 11.788 6.212 1.00 71.23 H new ATOM 0 HD1 PHE A 553 11.133 12.036 4.222 1.00 1.44 H new ATOM 0 HD2 PHE A 553 10.249 8.196 5.817 1.00 74.42 H new ATOM 0 HE1 PHE A 553 11.879 10.983 2.130 1.00 25.25 H new ATOM 0 HE2 PHE A 553 11.017 7.147 3.743 1.00 33.14 H new ATOM 0 HZ PHE A 553 11.822 8.538 1.888 1.00 23.12 H new ATOM 792 N GLU A 554 11.597 8.872 8.479 1.00 64.42 N ATOM 793 CA GLU A 554 12.336 7.659 8.706 1.00 41.31 C ATOM 794 C GLU A 554 11.955 6.680 7.579 1.00 52.41 C ATOM 795 O GLU A 554 10.770 6.390 7.375 1.00 41.24 O ATOM 796 CB GLU A 554 11.952 7.145 10.096 1.00 22.01 C ATOM 797 CG GLU A 554 12.918 6.182 10.776 1.00 54.43 C ATOM 798 CD GLU A 554 13.096 4.887 10.057 1.00 64.13 C ATOM 799 OE1 GLU A 554 12.184 4.046 10.102 1.00 14.30 O ATOM 800 OE2 GLU A 554 14.152 4.690 9.457 1.00 30.43 O ATOM 0 H GLU A 554 10.701 8.917 8.965 1.00 64.42 H new ATOM 0 HA GLU A 554 13.417 7.796 8.686 1.00 41.31 H new ATOM 0 HB2 GLU A 554 11.819 8.007 10.750 1.00 22.01 H new ATOM 0 HB3 GLU A 554 10.983 6.652 10.018 1.00 22.01 H new ATOM 0 HG2 GLU A 554 13.889 6.667 10.874 1.00 54.43 H new ATOM 0 HG3 GLU A 554 12.561 5.978 11.785 1.00 54.43 H new ATOM 807 N ASP A 555 12.950 6.215 6.837 1.00 63.32 N ATOM 808 CA ASP A 555 12.714 5.370 5.663 1.00 11.42 C ATOM 809 C ASP A 555 12.447 3.961 6.072 1.00 2.45 C ATOM 810 O ASP A 555 13.269 3.329 6.730 1.00 10.21 O ATOM 811 CB ASP A 555 13.910 5.401 4.699 1.00 54.42 C ATOM 812 CG ASP A 555 13.724 4.506 3.468 1.00 20.14 C ATOM 813 OD1 ASP A 555 13.171 4.984 2.448 1.00 35.23 O ATOM 814 OD2 ASP A 555 14.166 3.334 3.482 1.00 64.43 O ATOM 0 H ASP A 555 13.934 6.407 7.024 1.00 63.32 H new ATOM 0 HA ASP A 555 11.840 5.770 5.148 1.00 11.42 H new ATOM 0 HB2 ASP A 555 14.076 6.427 4.371 1.00 54.42 H new ATOM 0 HB3 ASP A 555 14.807 5.088 5.234 1.00 54.42 H new ATOM 819 N THR A 556 11.337 3.450 5.676 1.00 53.22 N ATOM 820 CA THR A 556 11.001 2.136 6.038 1.00 42.10 C ATOM 821 C THR A 556 10.719 1.285 4.795 1.00 73.34 C ATOM 822 O THR A 556 9.736 1.476 4.066 1.00 35.34 O ATOM 823 CB THR A 556 9.854 2.090 7.102 1.00 53.12 C ATOM 824 OG1 THR A 556 9.615 0.748 7.546 1.00 24.22 O ATOM 825 CG2 THR A 556 8.565 2.706 6.592 1.00 20.53 C ATOM 0 H THR A 556 10.648 3.931 5.098 1.00 53.22 H new ATOM 0 HA THR A 556 11.863 1.689 6.533 1.00 42.10 H new ATOM 0 HB THR A 556 10.193 2.689 7.947 1.00 53.12 H new ATOM 0 HG1 THR A 556 9.026 0.293 6.909 1.00 24.22 H new ATOM 0 HG21 THR A 556 7.802 2.648 7.368 1.00 20.53 H new ATOM 0 HG22 THR A 556 8.739 3.750 6.331 1.00 20.53 H new ATOM 0 HG23 THR A 556 8.226 2.163 5.710 1.00 20.53 H new ATOM 833 N CYS A 557 11.638 0.419 4.515 1.00 13.32 N ATOM 834 CA CYS A 557 11.528 -0.497 3.436 1.00 41.24 C ATOM 835 C CYS A 557 11.810 -1.886 3.951 1.00 3.14 C ATOM 836 O CYS A 557 12.784 -2.100 4.679 1.00 31.24 O ATOM 837 CB CYS A 557 12.466 -0.088 2.293 1.00 3.21 C ATOM 838 SG CYS A 557 14.134 0.389 2.816 1.00 0.24 S ATOM 0 H CYS A 557 12.505 0.330 5.045 1.00 13.32 H new ATOM 0 HA CYS A 557 10.518 -0.486 3.025 1.00 41.24 H new ATOM 0 HB2 CYS A 557 12.544 -0.918 1.590 1.00 3.21 H new ATOM 0 HB3 CYS A 557 12.017 0.746 1.753 1.00 3.21 H new ATOM 0 HG CYS A 557 14.197 1.682 2.939 1.00 0.24 H new ATOM 844 N GLY A 558 10.946 -2.806 3.643 1.00 34.33 N ATOM 845 CA GLY A 558 11.091 -4.123 4.125 1.00 55.14 C ATOM 846 C GLY A 558 9.914 -4.932 3.736 1.00 52.32 C ATOM 847 O GLY A 558 9.250 -4.621 2.736 1.00 45.24 O ATOM 0 H GLY A 558 10.128 -2.654 3.052 1.00 34.33 H new ATOM 0 HA2 GLY A 558 12.000 -4.570 3.722 1.00 55.14 H new ATOM 0 HA3 GLY A 558 11.195 -4.114 5.210 1.00 55.14 H new ATOM 851 N GLU A 559 9.605 -5.912 4.523 1.00 43.33 N ATOM 852 CA GLU A 559 8.550 -6.824 4.215 1.00 5.20 C ATOM 853 C GLU A 559 7.594 -6.985 5.383 1.00 12.01 C ATOM 854 O GLU A 559 8.010 -7.296 6.509 1.00 24.42 O ATOM 855 CB GLU A 559 9.144 -8.167 3.877 1.00 44.31 C ATOM 856 CG GLU A 559 10.049 -8.187 2.661 1.00 54.13 C ATOM 857 CD GLU A 559 10.668 -9.548 2.439 1.00 4.12 C ATOM 858 OE1 GLU A 559 11.111 -10.173 3.420 1.00 62.14 O ATOM 859 OE2 GLU A 559 10.703 -10.022 1.285 1.00 24.34 O ATOM 0 H GLU A 559 10.081 -6.104 5.404 1.00 43.33 H new ATOM 0 HA GLU A 559 7.991 -6.425 3.369 1.00 5.20 H new ATOM 0 HB2 GLU A 559 9.711 -8.522 4.737 1.00 44.31 H new ATOM 0 HB3 GLU A 559 8.331 -8.875 3.716 1.00 44.31 H new ATOM 0 HG2 GLU A 559 9.477 -7.900 1.778 1.00 54.13 H new ATOM 0 HG3 GLU A 559 10.838 -7.445 2.784 1.00 54.13 H new ATOM 866 N LEU A 560 6.335 -6.783 5.111 1.00 22.24 N ATOM 867 CA LEU A 560 5.279 -6.986 6.076 1.00 20.34 C ATOM 868 C LEU A 560 4.974 -8.456 6.158 1.00 32.33 C ATOM 869 O LEU A 560 4.655 -9.099 5.142 1.00 61.33 O ATOM 870 CB LEU A 560 4.019 -6.229 5.668 1.00 54.32 C ATOM 871 CG LEU A 560 4.081 -4.712 5.743 1.00 64.32 C ATOM 872 CD1 LEU A 560 2.882 -4.110 5.056 1.00 13.41 C ATOM 873 CD2 LEU A 560 4.133 -4.250 7.196 1.00 30.41 C ATOM 0 H LEU A 560 6.004 -6.468 4.199 1.00 22.24 H new ATOM 0 HA LEU A 560 5.607 -6.611 7.045 1.00 20.34 H new ATOM 0 HB2 LEU A 560 3.770 -6.509 4.645 1.00 54.32 H new ATOM 0 HB3 LEU A 560 3.198 -6.568 6.300 1.00 54.32 H new ATOM 0 HG LEU A 560 4.987 -4.378 5.238 1.00 64.32 H new ATOM 0 HD11 LEU A 560 2.936 -3.023 5.116 1.00 13.41 H new ATOM 0 HD12 LEU A 560 2.870 -4.416 4.010 1.00 13.41 H new ATOM 0 HD13 LEU A 560 1.971 -4.455 5.545 1.00 13.41 H new ATOM 0 HD21 LEU A 560 4.177 -3.161 7.230 1.00 30.41 H new ATOM 0 HD22 LEU A 560 3.241 -4.594 7.719 1.00 30.41 H new ATOM 0 HD23 LEU A 560 5.018 -4.664 7.678 1.00 30.41 H new ATOM 885 N GLU A 561 5.084 -8.992 7.333 1.00 61.43 N ATOM 886 CA GLU A 561 4.851 -10.377 7.539 1.00 2.05 C ATOM 887 C GLU A 561 3.401 -10.585 7.943 1.00 71.33 C ATOM 888 O GLU A 561 2.962 -10.156 9.015 1.00 41.03 O ATOM 889 CB GLU A 561 5.830 -10.917 8.572 1.00 23.13 C ATOM 890 CG GLU A 561 5.839 -12.423 8.708 1.00 32.05 C ATOM 891 CD GLU A 561 6.957 -12.888 9.595 1.00 21.31 C ATOM 892 OE1 GLU A 561 8.099 -12.996 9.116 1.00 53.31 O ATOM 893 OE2 GLU A 561 6.721 -13.154 10.786 1.00 11.13 O ATOM 0 H GLU A 561 5.339 -8.476 8.175 1.00 61.43 H new ATOM 0 HA GLU A 561 5.020 -10.935 6.618 1.00 2.05 H new ATOM 0 HB2 GLU A 561 6.834 -10.584 8.310 1.00 23.13 H new ATOM 0 HB3 GLU A 561 5.592 -10.480 9.542 1.00 23.13 H new ATOM 0 HG2 GLU A 561 4.886 -12.758 9.116 1.00 32.05 H new ATOM 0 HG3 GLU A 561 5.941 -12.878 7.723 1.00 32.05 H new ATOM 900 N PHE A 562 2.661 -11.167 7.052 1.00 0.33 N ATOM 901 CA PHE A 562 1.263 -11.437 7.237 1.00 0.33 C ATOM 902 C PHE A 562 1.010 -12.901 6.910 1.00 42.31 C ATOM 903 O PHE A 562 1.729 -13.499 6.123 1.00 71.00 O ATOM 904 CB PHE A 562 0.448 -10.478 6.330 1.00 25.21 C ATOM 905 CG PHE A 562 -1.014 -10.799 6.150 1.00 41.42 C ATOM 906 CD1 PHE A 562 -1.993 -10.378 7.058 1.00 41.34 C ATOM 907 CD2 PHE A 562 -1.407 -11.516 5.046 1.00 24.03 C ATOM 908 CE1 PHE A 562 -3.308 -10.687 6.851 1.00 11.25 C ATOM 909 CE2 PHE A 562 -2.722 -11.827 4.839 1.00 51.31 C ATOM 910 CZ PHE A 562 -3.671 -11.418 5.740 1.00 53.24 C ATOM 0 H PHE A 562 3.020 -11.478 6.149 1.00 0.33 H new ATOM 0 HA PHE A 562 0.950 -11.264 8.267 1.00 0.33 H new ATOM 0 HB2 PHE A 562 0.528 -9.471 6.740 1.00 25.21 H new ATOM 0 HB3 PHE A 562 0.916 -10.459 5.346 1.00 25.21 H new ATOM 0 HD1 PHE A 562 -1.707 -9.805 7.928 1.00 41.34 H new ATOM 0 HD2 PHE A 562 -0.665 -11.839 4.330 1.00 24.03 H new ATOM 0 HE1 PHE A 562 -4.059 -10.360 7.555 1.00 11.25 H new ATOM 0 HE2 PHE A 562 -3.013 -12.394 3.967 1.00 51.31 H new ATOM 0 HZ PHE A 562 -4.709 -11.670 5.578 1.00 53.24 H new ATOM 920 N GLN A 563 0.042 -13.486 7.527 1.00 11.24 N ATOM 921 CA GLN A 563 -0.271 -14.864 7.284 1.00 53.23 C ATOM 922 C GLN A 563 -1.746 -15.116 7.463 1.00 42.14 C ATOM 923 O GLN A 563 -2.481 -14.209 7.828 1.00 65.23 O ATOM 924 CB GLN A 563 0.567 -15.808 8.157 1.00 3.32 C ATOM 925 CG GLN A 563 0.530 -15.529 9.634 1.00 62.31 C ATOM 926 CD GLN A 563 1.060 -16.695 10.413 1.00 10.21 C ATOM 927 OE1 GLN A 563 0.301 -17.588 10.787 1.00 35.13 O ATOM 928 NE2 GLN A 563 2.338 -16.713 10.659 1.00 51.20 N ATOM 0 H GLN A 563 -0.558 -13.029 8.214 1.00 11.24 H new ATOM 0 HA GLN A 563 -0.012 -15.080 6.248 1.00 53.23 H new ATOM 0 HB2 GLN A 563 0.225 -16.829 7.989 1.00 3.32 H new ATOM 0 HB3 GLN A 563 1.603 -15.760 7.822 1.00 3.32 H new ATOM 0 HG2 GLN A 563 1.121 -14.640 9.855 1.00 62.31 H new ATOM 0 HG3 GLN A 563 -0.494 -15.316 9.942 1.00 62.31 H new ATOM 0 HE21 GLN A 563 2.931 -15.951 10.330 1.00 51.20 H new ATOM 0 HE22 GLN A 563 2.746 -17.489 11.181 1.00 51.20 H new ATOM 937 N ASN A 564 -2.149 -16.351 7.233 1.00 50.12 N ATOM 938 CA ASN A 564 -3.546 -16.786 7.279 1.00 5.12 C ATOM 939 C ASN A 564 -4.141 -16.597 8.663 1.00 12.13 C ATOM 940 O ASN A 564 -5.306 -16.273 8.800 1.00 12.44 O ATOM 941 CB ASN A 564 -3.659 -18.270 6.854 1.00 4.35 C ATOM 942 CG ASN A 564 -3.200 -19.270 7.914 1.00 43.41 C ATOM 943 OD1 ASN A 564 -2.008 -19.523 8.074 1.00 3.51 O ATOM 944 ND2 ASN A 564 -4.133 -19.901 8.571 1.00 25.02 N ATOM 0 H ASN A 564 -1.502 -17.105 7.002 1.00 50.12 H new ATOM 0 HA ASN A 564 -4.110 -16.167 6.581 1.00 5.12 H new ATOM 0 HB2 ASN A 564 -4.697 -18.483 6.597 1.00 4.35 H new ATOM 0 HB3 ASN A 564 -3.069 -18.422 5.950 1.00 4.35 H new ATOM 0 HD21 ASN A 564 -3.882 -20.628 9.241 1.00 25.02 H new ATOM 0 HD22 ASN A 564 -5.114 -19.667 8.415 1.00 25.02 H new ATOM 951 N ASP A 565 -3.314 -16.755 9.683 1.00 65.10 N ATOM 952 CA ASP A 565 -3.770 -16.670 11.071 1.00 12.23 C ATOM 953 C ASP A 565 -3.635 -15.236 11.591 1.00 31.45 C ATOM 954 O ASP A 565 -4.117 -14.889 12.659 1.00 55.22 O ATOM 955 CB ASP A 565 -2.971 -17.660 11.936 1.00 74.44 C ATOM 956 CG ASP A 565 -3.484 -17.788 13.356 1.00 5.44 C ATOM 957 OD1 ASP A 565 -4.547 -18.418 13.568 1.00 31.24 O ATOM 958 OD2 ASP A 565 -2.830 -17.285 14.289 1.00 31.12 O ATOM 0 H ASP A 565 -2.317 -16.944 9.581 1.00 65.10 H new ATOM 0 HA ASP A 565 -4.825 -16.940 11.124 1.00 12.23 H new ATOM 0 HB2 ASP A 565 -2.994 -18.641 11.462 1.00 74.44 H new ATOM 0 HB3 ASP A 565 -1.928 -17.343 11.964 1.00 74.44 H new ATOM 963 N GLU A 566 -3.033 -14.402 10.787 1.00 11.55 N ATOM 964 CA GLU A 566 -2.812 -13.013 11.123 1.00 41.21 C ATOM 965 C GLU A 566 -3.908 -12.194 10.438 1.00 51.34 C ATOM 966 O GLU A 566 -4.504 -12.656 9.446 1.00 72.42 O ATOM 967 CB GLU A 566 -1.423 -12.601 10.599 1.00 32.25 C ATOM 968 CG GLU A 566 -0.972 -11.193 10.943 1.00 64.05 C ATOM 969 CD GLU A 566 -0.813 -10.981 12.422 1.00 51.40 C ATOM 970 OE1 GLU A 566 0.302 -11.206 12.948 1.00 0.32 O ATOM 971 OE2 GLU A 566 -1.789 -10.562 13.078 1.00 15.54 O ATOM 0 H GLU A 566 -2.676 -14.666 9.869 1.00 11.55 H new ATOM 0 HA GLU A 566 -2.846 -12.846 12.200 1.00 41.21 H new ATOM 0 HB2 GLU A 566 -0.686 -13.303 10.990 1.00 32.25 H new ATOM 0 HB3 GLU A 566 -1.420 -12.707 9.514 1.00 32.25 H new ATOM 0 HG2 GLU A 566 -0.024 -10.988 10.447 1.00 64.05 H new ATOM 0 HG3 GLU A 566 -1.697 -10.478 10.553 1.00 64.05 H new ATOM 978 N ILE A 567 -4.223 -11.033 10.950 1.00 44.55 N ATOM 979 CA ILE A 567 -5.201 -10.212 10.298 1.00 33.31 C ATOM 980 C ILE A 567 -4.631 -8.863 10.066 1.00 22.41 C ATOM 981 O ILE A 567 -3.884 -8.360 10.903 1.00 52.13 O ATOM 982 CB ILE A 567 -6.578 -10.107 11.048 1.00 23.44 C ATOM 983 CG1 ILE A 567 -6.508 -9.284 12.345 1.00 2.51 C ATOM 984 CG2 ILE A 567 -7.139 -11.473 11.317 1.00 72.25 C ATOM 985 CD1 ILE A 567 -7.047 -7.874 12.206 1.00 53.43 C ATOM 0 H ILE A 567 -3.823 -10.642 11.803 1.00 44.55 H new ATOM 0 HA ILE A 567 -5.433 -10.704 9.353 1.00 33.31 H new ATOM 0 HB ILE A 567 -7.249 -9.566 10.380 1.00 23.44 H new ATOM 0 HG12 ILE A 567 -7.068 -9.802 13.123 1.00 2.51 H new ATOM 0 HG13 ILE A 567 -5.471 -9.235 12.678 1.00 2.51 H new ATOM 0 HG21 ILE A 567 -8.092 -11.379 11.837 1.00 72.25 H new ATOM 0 HG22 ILE A 567 -7.291 -11.996 10.373 1.00 72.25 H new ATOM 0 HG23 ILE A 567 -6.442 -12.037 11.937 1.00 72.25 H new ATOM 0 HD11 ILE A 567 -6.964 -7.357 13.162 1.00 53.43 H new ATOM 0 HD12 ILE A 567 -6.472 -7.337 11.452 1.00 53.43 H new ATOM 0 HD13 ILE A 567 -8.094 -7.913 11.904 1.00 53.43 H new ATOM 997 N VAL A 568 -4.953 -8.325 8.907 1.00 54.50 N ATOM 998 CA VAL A 568 -4.584 -6.989 8.445 1.00 44.11 C ATOM 999 C VAL A 568 -3.047 -6.704 8.512 1.00 61.13 C ATOM 1000 O VAL A 568 -2.262 -7.562 8.898 1.00 75.34 O ATOM 1001 CB VAL A 568 -5.423 -5.901 9.203 1.00 23.23 C ATOM 1002 CG1 VAL A 568 -4.816 -5.452 10.541 1.00 23.20 C ATOM 1003 CG2 VAL A 568 -5.763 -4.749 8.297 1.00 63.53 C ATOM 0 H VAL A 568 -5.510 -8.831 8.219 1.00 54.50 H new ATOM 0 HA VAL A 568 -4.830 -6.940 7.384 1.00 44.11 H new ATOM 0 HB VAL A 568 -6.357 -6.385 9.488 1.00 23.23 H new ATOM 0 HG11 VAL A 568 -5.459 -4.700 10.998 1.00 23.20 H new ATOM 0 HG12 VAL A 568 -4.731 -6.310 11.208 1.00 23.20 H new ATOM 0 HG13 VAL A 568 -3.827 -5.028 10.368 1.00 23.20 H new ATOM 0 HG21 VAL A 568 -6.344 -4.011 8.849 1.00 63.53 H new ATOM 0 HG22 VAL A 568 -4.844 -4.289 7.933 1.00 63.53 H new ATOM 0 HG23 VAL A 568 -6.347 -5.112 7.451 1.00 63.53 H new ATOM 1013 N LYS A 569 -2.643 -5.546 8.046 1.00 60.15 N ATOM 1014 CA LYS A 569 -1.277 -5.075 8.158 1.00 21.53 C ATOM 1015 C LYS A 569 -1.283 -3.588 8.315 1.00 62.32 C ATOM 1016 O LYS A 569 -2.241 -2.916 7.888 1.00 60.10 O ATOM 1017 CB LYS A 569 -0.390 -5.463 6.957 1.00 42.23 C ATOM 1018 CG LYS A 569 0.140 -6.910 6.894 1.00 62.34 C ATOM 1019 CD LYS A 569 1.253 -7.223 7.936 1.00 1.13 C ATOM 1020 CE LYS A 569 0.729 -7.590 9.328 1.00 42.31 C ATOM 1021 NZ LYS A 569 1.815 -7.963 10.254 1.00 22.21 N ATOM 0 H LYS A 569 -3.263 -4.891 7.570 1.00 60.15 H new ATOM 0 HA LYS A 569 -0.844 -5.562 9.032 1.00 21.53 H new ATOM 0 HB2 LYS A 569 -0.958 -5.274 6.046 1.00 42.23 H new ATOM 0 HB3 LYS A 569 0.468 -4.791 6.943 1.00 42.23 H new ATOM 0 HG2 LYS A 569 -0.692 -7.598 7.048 1.00 62.34 H new ATOM 0 HG3 LYS A 569 0.529 -7.100 5.894 1.00 62.34 H new ATOM 0 HD2 LYS A 569 1.863 -8.045 7.562 1.00 1.13 H new ATOM 0 HD3 LYS A 569 1.906 -6.355 8.024 1.00 1.13 H new ATOM 0 HE2 LYS A 569 0.177 -6.745 9.740 1.00 42.31 H new ATOM 0 HE3 LYS A 569 0.026 -8.419 9.243 1.00 42.31 H new ATOM 0 HZ1 LYS A 569 1.411 -8.219 11.177 1.00 22.21 H new ATOM 0 HZ2 LYS A 569 2.338 -8.775 9.867 1.00 22.21 H new ATOM 0 HZ3 LYS A 569 2.463 -7.158 10.371 1.00 22.21 H new ATOM 1035 N THR A 570 -0.257 -3.084 8.934 1.00 64.32 N ATOM 1036 CA THR A 570 -0.089 -1.679 9.143 1.00 22.30 C ATOM 1037 C THR A 570 1.333 -1.271 8.865 1.00 24.14 C ATOM 1038 O THR A 570 2.286 -1.939 9.301 1.00 31.04 O ATOM 1039 CB THR A 570 -0.447 -1.250 10.581 1.00 21.53 C ATOM 1040 OG1 THR A 570 0.122 -2.154 11.545 1.00 21.42 O ATOM 1041 CG2 THR A 570 -1.939 -1.121 10.793 1.00 22.55 C ATOM 0 H THR A 570 0.501 -3.650 9.315 1.00 64.32 H new ATOM 0 HA THR A 570 -0.772 -1.182 8.453 1.00 22.30 H new ATOM 0 HB THR A 570 -0.014 -0.260 10.728 1.00 21.53 H new ATOM 0 HG1 THR A 570 0.302 -1.672 12.379 1.00 21.42 H new ATOM 0 HG21 THR A 570 -2.135 -0.817 11.821 1.00 22.55 H new ATOM 0 HG22 THR A 570 -2.340 -0.372 10.110 1.00 22.55 H new ATOM 0 HG23 THR A 570 -2.418 -2.081 10.601 1.00 22.55 H new ATOM 1049 N ILE A 571 1.490 -0.221 8.128 1.00 12.44 N ATOM 1050 CA ILE A 571 2.792 0.319 7.899 1.00 21.15 C ATOM 1051 C ILE A 571 2.997 1.418 8.900 1.00 62.11 C ATOM 1052 O ILE A 571 2.230 2.371 8.920 1.00 12.21 O ATOM 1053 CB ILE A 571 3.000 0.898 6.459 1.00 44.54 C ATOM 1054 CG1 ILE A 571 2.914 -0.178 5.358 1.00 2.03 C ATOM 1055 CG2 ILE A 571 4.352 1.575 6.374 1.00 2.51 C ATOM 1056 CD1 ILE A 571 1.553 -0.771 5.131 1.00 11.03 C ATOM 0 H ILE A 571 0.730 0.283 7.672 1.00 12.44 H new ATOM 0 HA ILE A 571 3.512 -0.493 8.002 1.00 21.15 H new ATOM 0 HB ILE A 571 2.192 1.610 6.288 1.00 44.54 H new ATOM 0 HG12 ILE A 571 3.261 0.259 4.421 1.00 2.03 H new ATOM 0 HG13 ILE A 571 3.604 -0.984 5.609 1.00 2.03 H new ATOM 0 HG21 ILE A 571 4.495 1.977 5.371 1.00 2.51 H new ATOM 0 HG22 ILE A 571 4.399 2.386 7.101 1.00 2.51 H new ATOM 0 HG23 ILE A 571 5.136 0.849 6.589 1.00 2.51 H new ATOM 0 HD11 ILE A 571 1.608 -1.515 4.336 1.00 11.03 H new ATOM 0 HD12 ILE A 571 1.205 -1.245 6.049 1.00 11.03 H new ATOM 0 HD13 ILE A 571 0.856 0.016 4.843 1.00 11.03 H new ATOM 1068 N SER A 572 3.967 1.257 9.746 1.00 30.15 N ATOM 1069 CA SER A 572 4.276 2.231 10.742 1.00 71.41 C ATOM 1070 C SER A 572 5.500 3.056 10.325 1.00 42.04 C ATOM 1071 O SER A 572 6.626 2.549 10.274 1.00 65.23 O ATOM 1072 CB SER A 572 4.481 1.512 12.075 1.00 64.05 C ATOM 1073 OG SER A 572 5.226 0.313 11.889 1.00 50.22 O ATOM 0 H SER A 572 4.572 0.436 9.763 1.00 30.15 H new ATOM 0 HA SER A 572 3.454 2.938 10.854 1.00 71.41 H new ATOM 0 HB2 SER A 572 5.005 2.167 12.771 1.00 64.05 H new ATOM 0 HB3 SER A 572 3.514 1.280 12.522 1.00 64.05 H new ATOM 0 HG SER A 572 5.989 0.490 11.300 1.00 50.22 H new ATOM 1079 N VAL A 573 5.277 4.303 9.992 1.00 55.33 N ATOM 1080 CA VAL A 573 6.357 5.177 9.556 1.00 11.24 C ATOM 1081 C VAL A 573 6.582 6.254 10.591 1.00 50.31 C ATOM 1082 O VAL A 573 5.614 6.816 11.130 1.00 12.24 O ATOM 1083 CB VAL A 573 6.056 5.848 8.183 1.00 1.33 C ATOM 1084 CG1 VAL A 573 7.225 6.708 7.700 1.00 42.22 C ATOM 1085 CG2 VAL A 573 5.699 4.813 7.137 1.00 3.23 C ATOM 0 H VAL A 573 4.357 4.744 10.012 1.00 55.33 H new ATOM 0 HA VAL A 573 7.248 4.561 9.439 1.00 11.24 H new ATOM 0 HB VAL A 573 5.198 6.504 8.332 1.00 1.33 H new ATOM 0 HG11 VAL A 573 6.974 7.157 6.739 1.00 42.22 H new ATOM 0 HG12 VAL A 573 7.423 7.495 8.428 1.00 42.22 H new ATOM 0 HG13 VAL A 573 8.113 6.086 7.588 1.00 42.22 H new ATOM 0 HG21 VAL A 573 5.494 5.310 6.189 1.00 3.23 H new ATOM 0 HG22 VAL A 573 6.531 4.121 7.011 1.00 3.23 H new ATOM 0 HG23 VAL A 573 4.814 4.262 7.457 1.00 3.23 H new ATOM 1095 N LYS A 574 7.833 6.514 10.877 1.00 71.14 N ATOM 1096 CA LYS A 574 8.221 7.535 11.822 1.00 23.43 C ATOM 1097 C LYS A 574 8.468 8.854 11.089 1.00 23.44 C ATOM 1098 O LYS A 574 9.236 8.911 10.112 1.00 22.52 O ATOM 1099 CB LYS A 574 9.481 7.086 12.573 1.00 34.40 C ATOM 1100 CG LYS A 574 10.032 8.077 13.584 1.00 63.40 C ATOM 1101 CD LYS A 574 11.354 7.580 14.147 1.00 20.43 C ATOM 1102 CE LYS A 574 11.932 8.530 15.185 1.00 31.21 C ATOM 1103 NZ LYS A 574 11.106 8.608 16.404 1.00 10.01 N ATOM 0 H LYS A 574 8.620 6.019 10.457 1.00 71.14 H new ATOM 0 HA LYS A 574 7.420 7.689 12.545 1.00 23.43 H new ATOM 0 HB2 LYS A 574 9.260 6.152 13.090 1.00 34.40 H new ATOM 0 HB3 LYS A 574 10.260 6.869 11.842 1.00 34.40 H new ATOM 0 HG2 LYS A 574 10.173 9.049 13.111 1.00 63.40 H new ATOM 0 HG3 LYS A 574 9.315 8.218 14.393 1.00 63.40 H new ATOM 0 HD2 LYS A 574 11.209 6.598 14.597 1.00 20.43 H new ATOM 0 HD3 LYS A 574 12.069 7.455 13.334 1.00 20.43 H new ATOM 0 HE2 LYS A 574 12.937 8.203 15.452 1.00 31.21 H new ATOM 0 HE3 LYS A 574 12.026 9.525 14.750 1.00 31.21 H new ATOM 0 HZ1 LYS A 574 11.593 9.187 17.117 1.00 10.01 H new ATOM 0 HZ2 LYS A 574 10.189 9.041 16.175 1.00 10.01 H new ATOM 0 HZ3 LYS A 574 10.953 7.651 16.781 1.00 10.01 H new ATOM 1117 N VAL A 575 7.809 9.885 11.532 1.00 32.32 N ATOM 1118 CA VAL A 575 7.983 11.206 10.969 1.00 41.44 C ATOM 1119 C VAL A 575 9.028 11.930 11.813 1.00 21.12 C ATOM 1120 O VAL A 575 8.961 11.885 13.044 1.00 12.03 O ATOM 1121 CB VAL A 575 6.645 11.994 10.970 1.00 71.31 C ATOM 1122 CG1 VAL A 575 6.810 13.353 10.312 1.00 53.42 C ATOM 1123 CG2 VAL A 575 5.551 11.197 10.267 1.00 11.22 C ATOM 0 H VAL A 575 7.133 9.841 12.295 1.00 32.32 H new ATOM 0 HA VAL A 575 8.310 11.130 9.932 1.00 41.44 H new ATOM 0 HB VAL A 575 6.351 12.151 12.008 1.00 71.31 H new ATOM 0 HG11 VAL A 575 5.857 13.883 10.327 1.00 53.42 H new ATOM 0 HG12 VAL A 575 7.556 13.933 10.856 1.00 53.42 H new ATOM 0 HG13 VAL A 575 7.135 13.221 9.280 1.00 53.42 H new ATOM 0 HG21 VAL A 575 4.622 11.766 10.278 1.00 11.22 H new ATOM 0 HG22 VAL A 575 5.846 11.005 9.235 1.00 11.22 H new ATOM 0 HG23 VAL A 575 5.402 10.249 10.784 1.00 11.22 H new ATOM 1133 N ILE A 576 9.997 12.554 11.182 1.00 32.45 N ATOM 1134 CA ILE A 576 11.082 13.169 11.920 1.00 1.31 C ATOM 1135 C ILE A 576 10.811 14.672 12.098 1.00 25.14 C ATOM 1136 O ILE A 576 10.185 15.307 11.238 1.00 45.45 O ATOM 1137 CB ILE A 576 12.457 12.946 11.197 1.00 44.04 C ATOM 1138 CG1 ILE A 576 12.657 11.456 10.820 1.00 1.01 C ATOM 1139 CG2 ILE A 576 13.623 13.424 12.062 1.00 62.03 C ATOM 1140 CD1 ILE A 576 12.672 10.490 11.978 1.00 4.24 C ATOM 0 H ILE A 576 10.058 12.650 10.168 1.00 32.45 H new ATOM 0 HA ILE A 576 11.138 12.697 12.901 1.00 1.31 H new ATOM 0 HB ILE A 576 12.439 13.538 10.282 1.00 44.04 H new ATOM 0 HG12 ILE A 576 11.862 11.163 10.135 1.00 1.01 H new ATOM 0 HG13 ILE A 576 13.597 11.360 10.277 1.00 1.01 H new ATOM 0 HG21 ILE A 576 14.561 13.256 11.533 1.00 62.03 H new ATOM 0 HG22 ILE A 576 13.509 14.488 12.270 1.00 62.03 H new ATOM 0 HG23 ILE A 576 13.631 12.870 13.000 1.00 62.03 H new ATOM 0 HD11 ILE A 576 12.818 9.476 11.604 1.00 4.24 H new ATOM 0 HD12 ILE A 576 13.486 10.747 12.656 1.00 4.24 H new ATOM 0 HD13 ILE A 576 11.723 10.547 12.512 1.00 4.24 H new ATOM 1152 N ASP A 577 11.249 15.206 13.229 1.00 64.35 N ATOM 1153 CA ASP A 577 11.112 16.634 13.557 1.00 12.34 C ATOM 1154 C ASP A 577 11.871 17.492 12.546 1.00 23.12 C ATOM 1155 O ASP A 577 12.925 17.089 12.052 1.00 61.03 O ATOM 1156 CB ASP A 577 11.627 16.887 14.985 1.00 53.14 C ATOM 1157 CG ASP A 577 11.696 18.351 15.365 1.00 1.31 C ATOM 1158 OD1 ASP A 577 10.652 19.032 15.375 1.00 5.34 O ATOM 1159 OD2 ASP A 577 12.798 18.844 15.657 1.00 43.21 O ATOM 0 H ASP A 577 11.714 14.663 13.956 1.00 64.35 H new ATOM 0 HA ASP A 577 10.059 16.912 13.508 1.00 12.34 H new ATOM 0 HB2 ASP A 577 10.978 16.369 15.691 1.00 53.14 H new ATOM 0 HB3 ASP A 577 12.620 16.449 15.085 1.00 53.14 H new ATOM 1164 N ASP A 578 11.340 18.660 12.237 1.00 20.42 N ATOM 1165 CA ASP A 578 11.927 19.501 11.214 1.00 23.41 C ATOM 1166 C ASP A 578 13.235 20.138 11.559 1.00 51.54 C ATOM 1167 O ASP A 578 13.451 20.658 12.649 1.00 55.13 O ATOM 1168 CB ASP A 578 10.975 20.512 10.603 1.00 42.32 C ATOM 1169 CG ASP A 578 10.396 20.005 9.326 1.00 62.02 C ATOM 1170 OD1 ASP A 578 11.163 19.456 8.502 1.00 22.13 O ATOM 1171 OD2 ASP A 578 9.177 20.116 9.108 1.00 4.23 O ATOM 0 H ASP A 578 10.506 19.046 12.679 1.00 20.42 H new ATOM 0 HA ASP A 578 12.155 18.764 10.444 1.00 23.41 H new ATOM 0 HB2 ASP A 578 10.173 20.731 11.307 1.00 42.32 H new ATOM 0 HB3 ASP A 578 11.503 21.448 10.420 1.00 42.32 H new ATOM 1176 N GLU A 579 14.103 20.043 10.613 1.00 51.41 N ATOM 1177 CA GLU A 579 15.422 20.586 10.621 1.00 11.33 C ATOM 1178 C GLU A 579 15.508 21.737 9.603 1.00 21.40 C ATOM 1179 O GLU A 579 16.355 22.628 9.717 1.00 20.12 O ATOM 1180 CB GLU A 579 16.440 19.480 10.239 1.00 52.23 C ATOM 1181 CG GLU A 579 16.296 18.875 8.814 1.00 43.25 C ATOM 1182 CD GLU A 579 14.990 18.099 8.544 1.00 73.22 C ATOM 1183 OE1 GLU A 579 13.880 18.726 8.389 1.00 42.31 O ATOM 1184 OE2 GLU A 579 15.026 16.916 8.466 1.00 1.44 O ATOM 0 H GLU A 579 13.896 19.546 9.746 1.00 51.41 H new ATOM 0 HA GLU A 579 15.654 20.963 11.617 1.00 11.33 H new ATOM 0 HB2 GLU A 579 17.445 19.891 10.336 1.00 52.23 H new ATOM 0 HB3 GLU A 579 16.355 18.671 10.965 1.00 52.23 H new ATOM 0 HG2 GLU A 579 16.373 19.683 8.087 1.00 43.25 H new ATOM 0 HG3 GLU A 579 17.138 18.205 8.637 1.00 43.25 H new ATOM 1191 N GLU A 580 14.633 21.691 8.604 1.00 5.10 N ATOM 1192 CA GLU A 580 14.593 22.682 7.555 1.00 21.00 C ATOM 1193 C GLU A 580 13.191 23.187 7.261 1.00 55.25 C ATOM 1194 O GLU A 580 12.210 22.767 7.910 1.00 73.42 O ATOM 1195 CB GLU A 580 15.316 22.202 6.270 1.00 52.52 C ATOM 1196 CG GLU A 580 15.079 20.742 5.794 1.00 1.42 C ATOM 1197 CD GLU A 580 13.652 20.321 5.487 1.00 3.11 C ATOM 1198 OE1 GLU A 580 12.881 20.017 6.434 1.00 41.32 O ATOM 1199 OE2 GLU A 580 13.319 20.159 4.329 1.00 15.30 O ATOM 0 H GLU A 580 13.931 20.958 8.506 1.00 5.10 H new ATOM 0 HA GLU A 580 15.147 23.539 7.937 1.00 21.00 H new ATOM 0 HB2 GLU A 580 15.027 22.868 5.457 1.00 52.52 H new ATOM 0 HB3 GLU A 580 16.387 22.332 6.423 1.00 52.52 H new ATOM 0 HG2 GLU A 580 15.676 20.581 4.897 1.00 1.42 H new ATOM 0 HG3 GLU A 580 15.468 20.072 6.561 1.00 1.42 H new ATOM 1206 N TYR A 581 13.125 24.117 6.321 1.00 71.14 N ATOM 1207 CA TYR A 581 11.891 24.713 5.834 1.00 21.33 C ATOM 1208 C TYR A 581 11.105 23.635 5.117 1.00 22.12 C ATOM 1209 O TYR A 581 11.699 22.705 4.583 1.00 14.21 O ATOM 1210 CB TYR A 581 12.226 25.848 4.842 1.00 14.11 C ATOM 1211 CG TYR A 581 12.818 25.374 3.510 1.00 14.24 C ATOM 1212 CD1 TYR A 581 14.143 24.935 3.404 1.00 40.12 C ATOM 1213 CD2 TYR A 581 12.042 25.372 2.359 1.00 71.11 C ATOM 1214 CE1 TYR A 581 14.659 24.513 2.192 1.00 32.32 C ATOM 1215 CE2 TYR A 581 12.551 24.949 1.153 1.00 44.22 C ATOM 1216 CZ TYR A 581 13.858 24.523 1.071 1.00 14.02 C ATOM 1217 OH TYR A 581 14.368 24.103 -0.149 1.00 75.22 O ATOM 0 H TYR A 581 13.956 24.490 5.861 1.00 71.14 H new ATOM 0 HA TYR A 581 11.312 25.123 6.662 1.00 21.33 H new ATOM 0 HB2 TYR A 581 11.318 26.416 4.640 1.00 14.11 H new ATOM 0 HB3 TYR A 581 12.931 26.531 5.316 1.00 14.11 H new ATOM 0 HD1 TYR A 581 14.772 24.926 4.282 1.00 40.12 H new ATOM 0 HD2 TYR A 581 11.017 25.710 2.411 1.00 71.11 H new ATOM 0 HE1 TYR A 581 15.683 24.178 2.125 1.00 32.32 H new ATOM 0 HE2 TYR A 581 11.927 24.951 0.272 1.00 44.22 H new ATOM 0 HH TYR A 581 13.672 24.172 -0.836 1.00 75.22 H new ATOM 1227 N GLU A 582 9.816 23.730 5.067 1.00 54.12 N ATOM 1228 CA GLU A 582 9.104 22.665 4.443 1.00 71.35 C ATOM 1229 C GLU A 582 8.173 23.138 3.346 1.00 55.30 C ATOM 1230 O GLU A 582 7.502 24.179 3.458 1.00 51.02 O ATOM 1231 CB GLU A 582 8.374 21.818 5.465 1.00 31.44 C ATOM 1232 CG GLU A 582 7.916 20.497 4.905 1.00 33.22 C ATOM 1233 CD GLU A 582 7.243 19.656 5.913 1.00 53.24 C ATOM 1234 OE1 GLU A 582 7.876 19.325 6.941 1.00 72.53 O ATOM 1235 OE2 GLU A 582 6.114 19.261 5.707 1.00 61.14 O ATOM 0 H GLU A 582 9.254 24.499 5.433 1.00 54.12 H new ATOM 0 HA GLU A 582 9.852 22.038 3.957 1.00 71.35 H new ATOM 0 HB2 GLU A 582 9.030 21.639 6.317 1.00 31.44 H new ATOM 0 HB3 GLU A 582 7.510 22.369 5.837 1.00 31.44 H new ATOM 0 HG2 GLU A 582 7.235 20.676 4.073 1.00 33.22 H new ATOM 0 HG3 GLU A 582 8.775 19.959 4.504 1.00 33.22 H new ATOM 1242 N LYS A 583 8.179 22.382 2.282 1.00 11.33 N ATOM 1243 CA LYS A 583 7.329 22.567 1.134 1.00 65.01 C ATOM 1244 C LYS A 583 6.144 21.621 1.305 1.00 5.10 C ATOM 1245 O LYS A 583 5.828 21.219 2.427 1.00 42.32 O ATOM 1246 CB LYS A 583 8.124 22.143 -0.100 1.00 61.14 C ATOM 1247 CG LYS A 583 9.419 22.917 -0.322 1.00 62.54 C ATOM 1248 CD LYS A 583 10.254 22.295 -1.438 1.00 13.43 C ATOM 1249 CE LYS A 583 9.513 22.263 -2.772 1.00 14.20 C ATOM 1250 NZ LYS A 583 9.199 23.617 -3.282 1.00 52.42 N ATOM 0 H LYS A 583 8.805 21.583 2.186 1.00 11.33 H new ATOM 0 HA LYS A 583 6.993 23.599 1.032 1.00 65.01 H new ATOM 0 HB2 LYS A 583 8.361 21.082 -0.016 1.00 61.14 H new ATOM 0 HB3 LYS A 583 7.492 22.260 -0.980 1.00 61.14 H new ATOM 0 HG2 LYS A 583 9.188 23.952 -0.572 1.00 62.54 H new ATOM 0 HG3 LYS A 583 9.998 22.934 0.602 1.00 62.54 H new ATOM 0 HD2 LYS A 583 11.179 22.860 -1.553 1.00 13.43 H new ATOM 0 HD3 LYS A 583 10.533 21.280 -1.156 1.00 13.43 H new ATOM 0 HE2 LYS A 583 10.119 21.733 -3.507 1.00 14.20 H new ATOM 0 HE3 LYS A 583 8.588 21.699 -2.656 1.00 14.20 H new ATOM 0 HZ1 LYS A 583 8.773 23.542 -4.228 1.00 52.42 H new ATOM 0 HZ2 LYS A 583 8.530 24.084 -2.637 1.00 52.42 H new ATOM 0 HZ3 LYS A 583 10.073 24.177 -3.340 1.00 52.42 H new ATOM 1264 N ASN A 584 5.476 21.285 0.233 1.00 11.41 N ATOM 1265 CA ASN A 584 4.472 20.230 0.301 1.00 34.40 C ATOM 1266 C ASN A 584 5.240 18.914 0.269 1.00 21.14 C ATOM 1267 O ASN A 584 5.620 18.421 -0.801 1.00 31.13 O ATOM 1268 CB ASN A 584 3.461 20.340 -0.864 1.00 2.13 C ATOM 1269 CG ASN A 584 2.317 19.316 -0.841 1.00 50.10 C ATOM 1270 OD1 ASN A 584 2.458 18.174 -0.392 1.00 13.22 O ATOM 1271 ND2 ASN A 584 1.171 19.728 -1.336 1.00 74.44 N ATOM 0 H ASN A 584 5.597 21.711 -0.686 1.00 11.41 H new ATOM 0 HA ASN A 584 3.875 20.306 1.210 1.00 34.40 H new ATOM 0 HB2 ASN A 584 3.030 21.341 -0.856 1.00 2.13 H new ATOM 0 HB3 ASN A 584 4.002 20.234 -1.804 1.00 2.13 H new ATOM 0 HD21 ASN A 584 0.368 19.099 -1.356 1.00 74.44 H new ATOM 0 HD22 ASN A 584 1.084 20.677 -1.700 1.00 74.44 H new ATOM 1278 N LYS A 585 5.529 18.402 1.445 1.00 62.42 N ATOM 1279 CA LYS A 585 6.374 17.275 1.623 1.00 22.34 C ATOM 1280 C LYS A 585 5.511 16.061 1.804 1.00 65.23 C ATOM 1281 O LYS A 585 4.648 16.017 2.684 1.00 12.11 O ATOM 1282 CB LYS A 585 7.338 17.581 2.815 1.00 65.14 C ATOM 1283 CG LYS A 585 8.330 16.504 3.287 1.00 2.31 C ATOM 1284 CD LYS A 585 7.697 15.400 4.136 1.00 60.44 C ATOM 1285 CE LYS A 585 7.047 15.927 5.440 1.00 10.34 C ATOM 1286 NZ LYS A 585 7.991 16.613 6.349 1.00 5.41 N ATOM 0 H LYS A 585 5.165 18.780 2.320 1.00 62.42 H new ATOM 0 HA LYS A 585 7.005 17.069 0.759 1.00 22.34 H new ATOM 0 HB2 LYS A 585 7.919 18.464 2.546 1.00 65.14 H new ATOM 0 HB3 LYS A 585 6.721 17.854 3.671 1.00 65.14 H new ATOM 0 HG2 LYS A 585 8.801 16.051 2.414 1.00 2.31 H new ATOM 0 HG3 LYS A 585 9.122 16.982 3.864 1.00 2.31 H new ATOM 0 HD2 LYS A 585 6.941 14.884 3.544 1.00 60.44 H new ATOM 0 HD3 LYS A 585 8.460 14.664 4.390 1.00 60.44 H new ATOM 0 HE2 LYS A 585 6.243 16.616 5.180 1.00 10.34 H new ATOM 0 HE3 LYS A 585 6.591 15.091 5.970 1.00 10.34 H new ATOM 0 HZ1 LYS A 585 7.495 16.891 7.219 1.00 5.41 H new ATOM 0 HZ2 LYS A 585 8.773 15.970 6.587 1.00 5.41 H new ATOM 0 HZ3 LYS A 585 8.370 17.461 5.881 1.00 5.41 H new ATOM 1300 N THR A 586 5.711 15.117 0.942 1.00 31.03 N ATOM 1301 CA THR A 586 4.953 13.923 0.918 1.00 2.11 C ATOM 1302 C THR A 586 5.826 12.790 0.458 1.00 24.44 C ATOM 1303 O THR A 586 6.752 12.986 -0.345 1.00 4.21 O ATOM 1304 CB THR A 586 3.677 14.084 0.013 1.00 23.33 C ATOM 1305 OG1 THR A 586 2.955 12.862 -0.106 1.00 52.53 O ATOM 1306 CG2 THR A 586 4.012 14.597 -1.365 1.00 2.30 C ATOM 0 H THR A 586 6.428 15.163 0.218 1.00 31.03 H new ATOM 0 HA THR A 586 4.598 13.699 1.924 1.00 2.11 H new ATOM 0 HB THR A 586 3.051 14.822 0.515 1.00 23.33 H new ATOM 0 HG1 THR A 586 3.104 12.315 0.693 1.00 52.53 H new ATOM 0 HG21 THR A 586 3.097 14.691 -1.951 1.00 2.30 H new ATOM 0 HG22 THR A 586 4.492 15.572 -1.283 1.00 2.30 H new ATOM 0 HG23 THR A 586 4.689 13.899 -1.858 1.00 2.30 H new ATOM 1314 N PHE A 587 5.577 11.654 1.027 1.00 20.20 N ATOM 1315 CA PHE A 587 6.243 10.447 0.692 1.00 12.30 C ATOM 1316 C PHE A 587 5.225 9.399 0.351 1.00 52.25 C ATOM 1317 O PHE A 587 4.106 9.401 0.891 1.00 31.10 O ATOM 1318 CB PHE A 587 7.244 9.989 1.787 1.00 70.33 C ATOM 1319 CG PHE A 587 6.850 10.253 3.226 1.00 15.42 C ATOM 1320 CD1 PHE A 587 5.925 9.463 3.899 1.00 53.51 C ATOM 1321 CD2 PHE A 587 7.452 11.288 3.916 1.00 34.43 C ATOM 1322 CE1 PHE A 587 5.622 9.717 5.230 1.00 51.42 C ATOM 1323 CE2 PHE A 587 7.145 11.539 5.234 1.00 52.53 C ATOM 1324 CZ PHE A 587 6.233 10.750 5.891 1.00 51.32 C ATOM 0 H PHE A 587 4.879 11.543 1.763 1.00 20.20 H new ATOM 0 HA PHE A 587 6.863 10.623 -0.187 1.00 12.30 H new ATOM 0 HB2 PHE A 587 7.408 8.918 1.671 1.00 70.33 H new ATOM 0 HB3 PHE A 587 8.199 10.480 1.601 1.00 70.33 H new ATOM 0 HD1 PHE A 587 5.439 8.647 3.384 1.00 53.51 H new ATOM 0 HD2 PHE A 587 8.176 11.911 3.412 1.00 34.43 H new ATOM 0 HE1 PHE A 587 4.903 9.098 5.746 1.00 51.42 H new ATOM 0 HE2 PHE A 587 7.622 12.358 5.752 1.00 52.53 H new ATOM 0 HZ PHE A 587 5.998 10.943 6.927 1.00 51.32 H new ATOM 1334 N PHE A 588 5.574 8.546 -0.556 1.00 1.42 N ATOM 1335 CA PHE A 588 4.668 7.545 -1.039 1.00 10.13 C ATOM 1336 C PHE A 588 5.007 6.226 -0.412 1.00 44.55 C ATOM 1337 O PHE A 588 6.161 5.825 -0.402 1.00 3.40 O ATOM 1338 CB PHE A 588 4.779 7.415 -2.560 1.00 44.25 C ATOM 1339 CG PHE A 588 4.761 8.724 -3.298 1.00 52.34 C ATOM 1340 CD1 PHE A 588 3.604 9.446 -3.398 1.00 3.35 C ATOM 1341 CD2 PHE A 588 5.905 9.220 -3.890 1.00 2.03 C ATOM 1342 CE1 PHE A 588 3.560 10.637 -4.073 1.00 31.12 C ATOM 1343 CE2 PHE A 588 5.882 10.419 -4.572 1.00 44.53 C ATOM 1344 CZ PHE A 588 4.701 11.129 -4.667 1.00 21.53 C ATOM 0 H PHE A 588 6.498 8.520 -0.987 1.00 1.42 H new ATOM 0 HA PHE A 588 3.651 7.837 -0.778 1.00 10.13 H new ATOM 0 HB2 PHE A 588 5.703 6.889 -2.801 1.00 44.25 H new ATOM 0 HB3 PHE A 588 3.957 6.797 -2.921 1.00 44.25 H new ATOM 0 HD1 PHE A 588 2.705 9.069 -2.934 1.00 3.35 H new ATOM 0 HD2 PHE A 588 6.828 8.664 -3.819 1.00 2.03 H new ATOM 0 HE1 PHE A 588 2.634 11.188 -4.139 1.00 31.12 H new ATOM 0 HE2 PHE A 588 6.783 10.801 -5.029 1.00 44.53 H new ATOM 0 HZ PHE A 588 4.672 12.065 -5.204 1.00 21.53 H new ATOM 1354 N LEU A 589 4.043 5.584 0.151 1.00 44.21 N ATOM 1355 CA LEU A 589 4.245 4.260 0.651 1.00 72.24 C ATOM 1356 C LEU A 589 3.646 3.368 -0.391 1.00 40.21 C ATOM 1357 O LEU A 589 2.493 3.561 -0.788 1.00 20.22 O ATOM 1358 CB LEU A 589 3.530 4.048 2.000 1.00 64.21 C ATOM 1359 CG LEU A 589 4.071 2.940 2.929 1.00 70.41 C ATOM 1360 CD1 LEU A 589 4.066 1.565 2.282 1.00 11.01 C ATOM 1361 CD2 LEU A 589 5.443 3.297 3.412 1.00 22.53 C ATOM 0 H LEU A 589 3.101 5.953 0.279 1.00 44.21 H new ATOM 0 HA LEU A 589 5.301 4.058 0.830 1.00 72.24 H new ATOM 0 HB2 LEU A 589 3.560 4.990 2.548 1.00 64.21 H new ATOM 0 HB3 LEU A 589 2.482 3.832 1.794 1.00 64.21 H new ATOM 0 HG LEU A 589 3.392 2.878 3.780 1.00 70.41 H new ATOM 0 HD11 LEU A 589 4.458 0.830 2.986 1.00 11.01 H new ATOM 0 HD12 LEU A 589 3.046 1.296 2.007 1.00 11.01 H new ATOM 0 HD13 LEU A 589 4.691 1.581 1.389 1.00 11.01 H new ATOM 0 HD21 LEU A 589 5.815 2.509 4.066 1.00 22.53 H new ATOM 0 HD22 LEU A 589 6.112 3.406 2.559 1.00 22.53 H new ATOM 0 HD23 LEU A 589 5.402 4.237 3.963 1.00 22.53 H new ATOM 1373 N GLU A 590 4.392 2.453 -0.867 1.00 13.14 N ATOM 1374 CA GLU A 590 3.898 1.596 -1.873 1.00 74.00 C ATOM 1375 C GLU A 590 4.338 0.193 -1.576 1.00 20.35 C ATOM 1376 O GLU A 590 5.491 -0.035 -1.179 1.00 54.23 O ATOM 1377 CB GLU A 590 4.392 2.083 -3.227 1.00 61.42 C ATOM 1378 CG GLU A 590 3.757 1.410 -4.414 1.00 1.34 C ATOM 1379 CD GLU A 590 4.211 2.028 -5.699 1.00 33.31 C ATOM 1380 OE1 GLU A 590 3.618 3.046 -6.126 1.00 21.41 O ATOM 1381 OE2 GLU A 590 5.158 1.509 -6.316 1.00 53.43 O ATOM 0 H GLU A 590 5.353 2.275 -0.577 1.00 13.14 H new ATOM 0 HA GLU A 590 2.808 1.605 -1.897 1.00 74.00 H new ATOM 0 HB2 GLU A 590 4.214 3.156 -3.298 1.00 61.42 H new ATOM 0 HB3 GLU A 590 5.471 1.935 -3.278 1.00 61.42 H new ATOM 0 HG2 GLU A 590 4.008 0.349 -4.410 1.00 1.34 H new ATOM 0 HG3 GLU A 590 2.672 1.481 -4.337 1.00 1.34 H new ATOM 1388 N ILE A 591 3.410 -0.720 -1.691 1.00 70.25 N ATOM 1389 CA ILE A 591 3.675 -2.105 -1.479 1.00 52.04 C ATOM 1390 C ILE A 591 3.922 -2.746 -2.819 1.00 41.33 C ATOM 1391 O ILE A 591 3.339 -2.326 -3.831 1.00 22.43 O ATOM 1392 CB ILE A 591 2.508 -2.826 -0.732 1.00 51.52 C ATOM 1393 CG1 ILE A 591 1.175 -2.691 -1.483 1.00 1.30 C ATOM 1394 CG2 ILE A 591 2.380 -2.296 0.694 1.00 23.21 C ATOM 1395 CD1 ILE A 591 0.016 -3.392 -0.801 1.00 15.10 C ATOM 0 H ILE A 591 2.442 -0.514 -1.937 1.00 70.25 H new ATOM 0 HA ILE A 591 4.553 -2.201 -0.840 1.00 52.04 H new ATOM 0 HB ILE A 591 2.750 -3.888 -0.693 1.00 51.52 H new ATOM 0 HG12 ILE A 591 0.935 -1.633 -1.591 1.00 1.30 H new ATOM 0 HG13 ILE A 591 1.292 -3.096 -2.488 1.00 1.30 H new ATOM 0 HG21 ILE A 591 1.562 -2.809 1.201 1.00 23.21 H new ATOM 0 HG22 ILE A 591 3.310 -2.475 1.233 1.00 23.21 H new ATOM 0 HG23 ILE A 591 2.176 -1.226 0.667 1.00 23.21 H new ATOM 0 HD11 ILE A 591 -0.891 -3.253 -1.390 1.00 15.10 H new ATOM 0 HD12 ILE A 591 0.234 -4.457 -0.717 1.00 15.10 H new ATOM 0 HD13 ILE A 591 -0.129 -2.971 0.194 1.00 15.10 H new ATOM 1407 N GLY A 592 4.791 -3.702 -2.844 1.00 60.34 N ATOM 1408 CA GLY A 592 5.107 -4.370 -4.067 1.00 15.32 C ATOM 1409 C GLY A 592 4.204 -5.547 -4.288 1.00 12.04 C ATOM 1410 O GLY A 592 3.059 -5.560 -3.818 1.00 75.51 O ATOM 0 H GLY A 592 5.299 -4.041 -2.027 1.00 60.34 H new ATOM 0 HA2 GLY A 592 5.013 -3.674 -4.900 1.00 15.32 H new ATOM 0 HA3 GLY A 592 6.145 -4.703 -4.046 1.00 15.32 H new ATOM 1414 N GLU A 593 4.697 -6.526 -4.982 1.00 41.22 N ATOM 1415 CA GLU A 593 3.937 -7.712 -5.229 1.00 24.23 C ATOM 1416 C GLU A 593 4.020 -8.619 -4.003 1.00 21.10 C ATOM 1417 O GLU A 593 5.114 -8.900 -3.514 1.00 40.12 O ATOM 1418 CB GLU A 593 4.478 -8.445 -6.452 1.00 1.45 C ATOM 1419 CG GLU A 593 3.682 -9.675 -6.818 1.00 25.34 C ATOM 1420 CD GLU A 593 4.318 -10.485 -7.898 1.00 43.23 C ATOM 1421 OE1 GLU A 593 5.264 -11.252 -7.597 1.00 21.40 O ATOM 1422 OE2 GLU A 593 3.878 -10.397 -9.042 1.00 54.31 O ATOM 0 H GLU A 593 5.631 -6.526 -5.391 1.00 41.22 H new ATOM 0 HA GLU A 593 2.899 -7.441 -5.421 1.00 24.23 H new ATOM 0 HB2 GLU A 593 4.487 -7.762 -7.301 1.00 1.45 H new ATOM 0 HB3 GLU A 593 5.512 -8.734 -6.265 1.00 1.45 H new ATOM 0 HG2 GLU A 593 3.557 -10.297 -5.931 1.00 25.34 H new ATOM 0 HG3 GLU A 593 2.685 -9.373 -7.138 1.00 25.34 H new ATOM 1429 N PRO A 594 2.888 -9.035 -3.451 1.00 73.34 N ATOM 1430 CA PRO A 594 2.875 -9.965 -2.337 1.00 2.22 C ATOM 1431 C PRO A 594 3.328 -11.367 -2.788 1.00 33.11 C ATOM 1432 O PRO A 594 3.185 -11.740 -3.960 1.00 75.40 O ATOM 1433 CB PRO A 594 1.412 -9.974 -1.892 1.00 12.00 C ATOM 1434 CG PRO A 594 0.644 -9.542 -3.086 1.00 24.42 C ATOM 1435 CD PRO A 594 1.535 -8.623 -3.859 1.00 33.55 C ATOM 0 HA PRO A 594 3.556 -9.679 -1.536 1.00 2.22 H new ATOM 0 HB2 PRO A 594 1.106 -10.967 -1.564 1.00 12.00 H new ATOM 0 HB3 PRO A 594 1.251 -9.297 -1.053 1.00 12.00 H new ATOM 0 HG2 PRO A 594 0.354 -10.401 -3.692 1.00 24.42 H new ATOM 0 HG3 PRO A 594 -0.275 -9.034 -2.793 1.00 24.42 H new ATOM 0 HD2 PRO A 594 1.389 -8.732 -4.934 1.00 33.55 H new ATOM 0 HD3 PRO A 594 1.343 -7.578 -3.615 1.00 33.55 H new ATOM 1443 N ARG A 595 3.876 -12.133 -1.883 1.00 43.22 N ATOM 1444 CA ARG A 595 4.374 -13.441 -2.237 1.00 71.10 C ATOM 1445 C ARG A 595 3.853 -14.506 -1.296 1.00 53.24 C ATOM 1446 O ARG A 595 3.867 -14.329 -0.071 1.00 31.14 O ATOM 1447 CB ARG A 595 5.914 -13.459 -2.329 1.00 20.00 C ATOM 1448 CG ARG A 595 6.652 -13.013 -1.067 1.00 44.43 C ATOM 1449 CD ARG A 595 8.163 -13.100 -1.251 1.00 0.43 C ATOM 1450 NE ARG A 595 8.649 -12.224 -2.334 1.00 23.15 N ATOM 1451 CZ ARG A 595 9.362 -12.627 -3.400 1.00 25.23 C ATOM 1452 NH1 ARG A 595 9.802 -13.881 -3.480 1.00 40.33 N ATOM 1453 NH2 ARG A 595 9.681 -11.752 -4.351 1.00 23.53 N ATOM 0 H ARG A 595 3.990 -11.879 -0.902 1.00 43.22 H new ATOM 0 HA ARG A 595 3.993 -13.676 -3.231 1.00 71.10 H new ATOM 0 HB2 ARG A 595 6.234 -14.471 -2.578 1.00 20.00 H new ATOM 0 HB3 ARG A 595 6.219 -12.816 -3.154 1.00 20.00 H new ATOM 0 HG2 ARG A 595 6.371 -11.989 -0.822 1.00 44.43 H new ATOM 0 HG3 ARG A 595 6.349 -13.637 -0.226 1.00 44.43 H new ATOM 0 HD2 ARG A 595 8.656 -12.827 -0.318 1.00 0.43 H new ATOM 0 HD3 ARG A 595 8.441 -14.131 -1.469 1.00 0.43 H new ATOM 0 HE ARG A 595 8.426 -11.231 -2.269 1.00 23.15 H new ATOM 0 HH11 ARG A 595 9.599 -14.542 -2.730 1.00 40.33 H new ATOM 0 HH12 ARG A 595 10.343 -14.181 -4.291 1.00 40.33 H new ATOM 0 HH21 ARG A 595 9.385 -10.779 -4.269 1.00 23.53 H new ATOM 0 HH22 ARG A 595 10.222 -12.054 -5.161 1.00 23.53 H new ATOM 1467 N LEU A 596 3.369 -15.586 -1.870 1.00 12.02 N ATOM 1468 CA LEU A 596 2.827 -16.686 -1.114 1.00 63.20 C ATOM 1469 C LEU A 596 3.969 -17.625 -0.755 1.00 43.01 C ATOM 1470 O LEU A 596 4.689 -18.104 -1.639 1.00 44.41 O ATOM 1471 CB LEU A 596 1.815 -17.470 -1.962 1.00 2.13 C ATOM 1472 CG LEU A 596 0.502 -17.912 -1.277 1.00 33.44 C ATOM 1473 CD1 LEU A 596 0.719 -18.436 0.137 1.00 71.03 C ATOM 1474 CD2 LEU A 596 -0.531 -16.805 -1.311 1.00 20.34 C ATOM 0 H LEU A 596 3.342 -15.723 -2.880 1.00 12.02 H new ATOM 0 HA LEU A 596 2.331 -16.300 -0.223 1.00 63.20 H new ATOM 0 HB2 LEU A 596 1.555 -16.858 -2.826 1.00 2.13 H new ATOM 0 HB3 LEU A 596 2.313 -18.362 -2.342 1.00 2.13 H new ATOM 0 HG LEU A 596 0.115 -18.752 -1.854 1.00 33.44 H new ATOM 0 HD11 LEU A 596 -0.238 -18.731 0.567 1.00 71.03 H new ATOM 0 HD12 LEU A 596 1.385 -19.299 0.107 1.00 71.03 H new ATOM 0 HD13 LEU A 596 1.166 -17.654 0.750 1.00 71.03 H new ATOM 0 HD21 LEU A 596 -1.444 -17.144 -0.822 1.00 20.34 H new ATOM 0 HD22 LEU A 596 -0.144 -15.930 -0.789 1.00 20.34 H new ATOM 0 HD23 LEU A 596 -0.750 -16.543 -2.346 1.00 20.34 H new ATOM 1486 N VAL A 597 4.110 -17.916 0.509 1.00 61.24 N ATOM 1487 CA VAL A 597 5.175 -18.798 0.993 1.00 60.21 C ATOM 1488 C VAL A 597 4.659 -20.275 1.042 1.00 53.34 C ATOM 1489 O VAL A 597 5.229 -21.148 1.716 1.00 1.41 O ATOM 1490 CB VAL A 597 5.675 -18.312 2.405 1.00 34.14 C ATOM 1491 CG1 VAL A 597 6.921 -19.064 2.880 1.00 51.31 C ATOM 1492 CG2 VAL A 597 5.952 -16.811 2.397 1.00 43.12 C ATOM 0 H VAL A 597 3.500 -17.557 1.243 1.00 61.24 H new ATOM 0 HA VAL A 597 6.022 -18.760 0.308 1.00 60.21 H new ATOM 0 HB VAL A 597 4.870 -18.530 3.107 1.00 34.14 H new ATOM 0 HG11 VAL A 597 7.222 -18.689 3.858 1.00 51.31 H new ATOM 0 HG12 VAL A 597 6.698 -20.128 2.953 1.00 51.31 H new ATOM 0 HG13 VAL A 597 7.732 -18.911 2.168 1.00 51.31 H new ATOM 0 HG21 VAL A 597 6.296 -16.499 3.383 1.00 43.12 H new ATOM 0 HG22 VAL A 597 6.720 -16.587 1.657 1.00 43.12 H new ATOM 0 HG23 VAL A 597 5.038 -16.274 2.145 1.00 43.12 H new ATOM 2055 N ARG A 633 -0.568 -17.067 -6.936 1.00 62.41 N ATOM 2056 CA ARG A 633 0.249 -15.965 -6.449 1.00 4.24 C ATOM 2057 C ARG A 633 -0.668 -14.819 -6.056 1.00 14.20 C ATOM 2058 O ARG A 633 -1.602 -14.518 -6.773 1.00 51.13 O ATOM 2059 CB ARG A 633 1.213 -15.483 -7.539 1.00 24.20 C ATOM 2060 CG ARG A 633 2.079 -16.572 -8.136 1.00 3.34 C ATOM 2061 CD ARG A 633 2.910 -16.040 -9.285 1.00 70.42 C ATOM 2062 NE ARG A 633 3.583 -17.118 -10.018 1.00 12.01 N ATOM 2063 CZ ARG A 633 4.018 -17.023 -11.288 1.00 11.11 C ATOM 2064 NH1 ARG A 633 3.971 -15.850 -11.929 1.00 53.24 N ATOM 2065 NH2 ARG A 633 4.521 -18.090 -11.897 1.00 52.21 N ATOM 0 HA ARG A 633 0.832 -16.304 -5.593 1.00 4.24 H new ATOM 0 HB2 ARG A 633 0.635 -15.017 -8.337 1.00 24.20 H new ATOM 0 HB3 ARG A 633 1.859 -14.711 -7.120 1.00 24.20 H new ATOM 0 HG2 ARG A 633 2.735 -16.981 -7.368 1.00 3.34 H new ATOM 0 HG3 ARG A 633 1.450 -17.390 -8.487 1.00 3.34 H new ATOM 0 HD2 ARG A 633 2.270 -15.481 -9.968 1.00 70.42 H new ATOM 0 HD3 ARG A 633 3.654 -15.342 -8.902 1.00 70.42 H new ATOM 0 HE ARG A 633 3.732 -18.002 -9.531 1.00 12.01 H new ATOM 0 HH11 ARG A 633 3.605 -15.024 -11.455 1.00 53.24 H new ATOM 0 HH12 ARG A 633 4.301 -15.781 -12.892 1.00 53.24 H new ATOM 0 HH21 ARG A 633 4.577 -18.980 -11.402 1.00 52.21 H new ATOM 0 HH22 ARG A 633 4.851 -18.020 -12.860 1.00 52.21 H new ATOM 2079 N PRO A 634 -0.448 -14.198 -4.912 1.00 61.20 N ATOM 2080 CA PRO A 634 -1.260 -13.082 -4.479 1.00 54.33 C ATOM 2081 C PRO A 634 -0.903 -11.810 -5.244 1.00 2.12 C ATOM 2082 O PRO A 634 0.197 -11.683 -5.775 1.00 10.50 O ATOM 2083 CB PRO A 634 -0.940 -12.969 -2.997 1.00 31.23 C ATOM 2084 CG PRO A 634 0.443 -13.497 -2.870 1.00 50.22 C ATOM 2085 CD PRO A 634 0.615 -14.515 -3.958 1.00 42.11 C ATOM 0 HA PRO A 634 -2.325 -13.226 -4.664 1.00 54.33 H new ATOM 0 HB2 PRO A 634 -1.003 -11.936 -2.656 1.00 31.23 H new ATOM 0 HB3 PRO A 634 -1.642 -13.547 -2.395 1.00 31.23 H new ATOM 0 HG2 PRO A 634 1.175 -12.695 -2.971 1.00 50.22 H new ATOM 0 HG3 PRO A 634 0.597 -13.948 -1.890 1.00 50.22 H new ATOM 0 HD2 PRO A 634 1.600 -14.443 -4.420 1.00 42.11 H new ATOM 0 HD3 PRO A 634 0.516 -15.530 -3.574 1.00 42.11 H new ATOM 2093 N ILE A 635 -1.821 -10.884 -5.296 1.00 43.01 N ATOM 2094 CA ILE A 635 -1.657 -9.698 -6.092 1.00 32.10 C ATOM 2095 C ILE A 635 -1.999 -8.462 -5.299 1.00 55.24 C ATOM 2096 O ILE A 635 -2.423 -8.532 -4.129 1.00 21.30 O ATOM 2097 CB ILE A 635 -2.619 -9.701 -7.298 1.00 3.42 C ATOM 2098 CG1 ILE A 635 -4.077 -9.781 -6.807 1.00 0.05 C ATOM 2099 CG2 ILE A 635 -2.304 -10.853 -8.232 1.00 14.45 C ATOM 2100 CD1 ILE A 635 -5.092 -9.407 -7.844 1.00 23.42 C ATOM 0 H ILE A 635 -2.704 -10.930 -4.788 1.00 43.01 H new ATOM 0 HA ILE A 635 -0.616 -9.690 -6.414 1.00 32.10 H new ATOM 0 HB ILE A 635 -2.487 -8.772 -7.853 1.00 3.42 H new ATOM 0 HG12 ILE A 635 -4.279 -10.796 -6.465 1.00 0.05 H new ATOM 0 HG13 ILE A 635 -4.195 -9.125 -5.945 1.00 0.05 H new ATOM 0 HG21 ILE A 635 -2.994 -10.837 -9.076 1.00 14.45 H new ATOM 0 HG22 ILE A 635 -1.282 -10.756 -8.597 1.00 14.45 H new ATOM 0 HG23 ILE A 635 -2.409 -11.796 -7.695 1.00 14.45 H new ATOM 0 HD11 ILE A 635 -6.093 -9.489 -7.420 1.00 23.42 H new ATOM 0 HD12 ILE A 635 -4.919 -8.381 -8.169 1.00 23.42 H new ATOM 0 HD13 ILE A 635 -5.004 -10.078 -8.698 1.00 23.42 H new ATOM 2112 N LEU A 636 -1.841 -7.341 -5.938 1.00 73.10 N ATOM 2113 CA LEU A 636 -2.281 -6.102 -5.394 1.00 23.15 C ATOM 2114 C LEU A 636 -3.671 -5.852 -5.944 1.00 75.21 C ATOM 2115 O LEU A 636 -4.012 -6.361 -7.021 1.00 12.44 O ATOM 2116 CB LEU A 636 -1.276 -4.922 -5.672 1.00 50.00 C ATOM 2117 CG LEU A 636 -1.134 -4.310 -7.108 1.00 71.24 C ATOM 2118 CD1 LEU A 636 -1.051 -5.349 -8.191 1.00 1.33 C ATOM 2119 CD2 LEU A 636 -2.201 -3.267 -7.414 1.00 22.43 C ATOM 0 H LEU A 636 -1.401 -7.266 -6.855 1.00 73.10 H new ATOM 0 HA LEU A 636 -2.317 -6.153 -4.306 1.00 23.15 H new ATOM 0 HB2 LEU A 636 -1.547 -4.106 -5.002 1.00 50.00 H new ATOM 0 HB3 LEU A 636 -0.287 -5.267 -5.372 1.00 50.00 H new ATOM 0 HG LEU A 636 -0.175 -3.793 -7.101 1.00 71.24 H new ATOM 0 HD11 LEU A 636 -0.954 -4.858 -9.159 1.00 1.33 H new ATOM 0 HD12 LEU A 636 -0.183 -5.986 -8.018 1.00 1.33 H new ATOM 0 HD13 LEU A 636 -1.955 -5.957 -8.182 1.00 1.33 H new ATOM 0 HD21 LEU A 636 -2.052 -2.879 -8.422 1.00 22.43 H new ATOM 0 HD22 LEU A 636 -3.188 -3.725 -7.344 1.00 22.43 H new ATOM 0 HD23 LEU A 636 -2.128 -2.450 -6.696 1.00 22.43 H new ATOM 2131 N GLY A 637 -4.458 -5.135 -5.216 1.00 62.31 N ATOM 2132 CA GLY A 637 -5.816 -4.897 -5.614 1.00 33.11 C ATOM 2133 C GLY A 637 -5.958 -3.796 -6.627 1.00 62.53 C ATOM 2134 O GLY A 637 -5.319 -3.812 -7.677 1.00 30.32 O ATOM 0 H GLY A 637 -4.188 -4.698 -4.335 1.00 62.31 H new ATOM 0 HA2 GLY A 637 -6.232 -5.816 -6.027 1.00 33.11 H new ATOM 0 HA3 GLY A 637 -6.407 -4.648 -4.732 1.00 33.11 H new ATOM 2138 N GLU A 638 -6.782 -2.844 -6.327 1.00 55.23 N ATOM 2139 CA GLU A 638 -7.061 -1.789 -7.257 1.00 54.23 C ATOM 2140 C GLU A 638 -6.078 -0.651 -7.135 1.00 1.52 C ATOM 2141 O GLU A 638 -5.499 -0.207 -8.135 1.00 64.12 O ATOM 2142 CB GLU A 638 -8.488 -1.305 -7.081 1.00 15.24 C ATOM 2143 CG GLU A 638 -8.916 -0.268 -8.100 1.00 21.00 C ATOM 2144 CD GLU A 638 -10.400 -0.083 -8.142 1.00 44.11 C ATOM 2145 OE1 GLU A 638 -10.971 0.541 -7.217 1.00 42.11 O ATOM 2146 OE2 GLU A 638 -11.037 -0.593 -9.094 1.00 0.41 O ATOM 0 H GLU A 638 -7.279 -2.772 -5.439 1.00 55.23 H new ATOM 0 HA GLU A 638 -6.948 -2.191 -8.264 1.00 54.23 H new ATOM 0 HB2 GLU A 638 -9.161 -2.160 -7.143 1.00 15.24 H new ATOM 0 HB3 GLU A 638 -8.598 -0.884 -6.081 1.00 15.24 H new ATOM 0 HG2 GLU A 638 -8.441 0.685 -7.865 1.00 21.00 H new ATOM 0 HG3 GLU A 638 -8.562 -0.566 -9.087 1.00 21.00 H new ATOM 2153 N HIS A 639 -5.880 -0.186 -5.935 1.00 65.15 N ATOM 2154 CA HIS A 639 -5.002 0.943 -5.722 1.00 73.15 C ATOM 2155 C HIS A 639 -4.024 0.725 -4.582 1.00 15.24 C ATOM 2156 O HIS A 639 -4.396 0.657 -3.401 1.00 61.22 O ATOM 2157 CB HIS A 639 -5.784 2.277 -5.568 1.00 71.54 C ATOM 2158 CG HIS A 639 -6.838 2.303 -4.488 1.00 65.41 C ATOM 2159 ND1 HIS A 639 -6.698 2.958 -3.284 1.00 73.05 N ATOM 2160 CD2 HIS A 639 -8.082 1.769 -4.476 1.00 23.41 C ATOM 2161 CE1 HIS A 639 -7.828 2.810 -2.598 1.00 72.11 C ATOM 2162 NE2 HIS A 639 -8.709 2.091 -3.279 1.00 33.35 N ATOM 0 H HIS A 639 -6.309 -0.564 -5.090 1.00 65.15 H new ATOM 0 HA HIS A 639 -4.401 1.028 -6.628 1.00 73.15 H new ATOM 0 HB2 HIS A 639 -5.068 3.074 -5.369 1.00 71.54 H new ATOM 0 HB3 HIS A 639 -6.262 2.508 -6.520 1.00 71.54 H new ATOM 0 HD2 HIS A 639 -8.518 1.184 -5.272 1.00 23.41 H new ATOM 0 HE1 HIS A 639 -8.004 3.222 -1.615 1.00 72.11 H new ATOM 0 HE2 HIS A 639 -9.650 1.829 -2.986 1.00 33.35 H new ATOM 2170 N THR A 640 -2.778 0.589 -4.933 1.00 41.30 N ATOM 2171 CA THR A 640 -1.757 0.460 -3.952 1.00 61.35 C ATOM 2172 C THR A 640 -0.747 1.575 -4.083 1.00 22.44 C ATOM 2173 O THR A 640 0.180 1.502 -4.884 1.00 11.34 O ATOM 2174 CB THR A 640 -1.068 -0.919 -3.981 1.00 12.12 C ATOM 2175 OG1 THR A 640 -0.674 -1.266 -5.319 1.00 61.22 O ATOM 2176 CG2 THR A 640 -1.983 -1.983 -3.425 1.00 44.32 C ATOM 0 H THR A 640 -2.450 0.565 -5.899 1.00 41.30 H new ATOM 0 HA THR A 640 -2.243 0.540 -2.980 1.00 61.35 H new ATOM 0 HB THR A 640 -0.176 -0.860 -3.358 1.00 12.12 H new ATOM 0 HG1 THR A 640 -0.215 -0.505 -5.732 1.00 61.22 H new ATOM 0 HG21 THR A 640 -1.478 -2.949 -3.454 1.00 44.32 H new ATOM 0 HG22 THR A 640 -2.240 -1.739 -2.394 1.00 44.32 H new ATOM 0 HG23 THR A 640 -2.892 -2.031 -4.024 1.00 44.32 H new ATOM 2184 N LYS A 641 -0.983 2.621 -3.349 1.00 32.32 N ATOM 2185 CA LYS A 641 -0.125 3.765 -3.304 1.00 15.31 C ATOM 2186 C LYS A 641 -0.654 4.586 -2.179 1.00 72.43 C ATOM 2187 O LYS A 641 -1.837 4.809 -2.113 1.00 61.24 O ATOM 2188 CB LYS A 641 -0.226 4.580 -4.619 1.00 30.54 C ATOM 2189 CG LYS A 641 1.055 5.312 -5.045 1.00 3.14 C ATOM 2190 CD LYS A 641 1.542 6.361 -4.070 1.00 23.02 C ATOM 2191 CE LYS A 641 0.726 7.644 -4.104 1.00 2.01 C ATOM 2192 NZ LYS A 641 0.817 8.373 -5.403 1.00 3.53 N ATOM 0 H LYS A 641 -1.803 2.703 -2.747 1.00 32.32 H new ATOM 0 HA LYS A 641 0.920 3.481 -3.176 1.00 15.31 H new ATOM 0 HB2 LYS A 641 -0.522 3.905 -5.422 1.00 30.54 H new ATOM 0 HB3 LYS A 641 -1.024 5.315 -4.510 1.00 30.54 H new ATOM 0 HG2 LYS A 641 1.846 4.576 -5.190 1.00 3.14 H new ATOM 0 HG3 LYS A 641 0.881 5.787 -6.011 1.00 3.14 H new ATOM 0 HD2 LYS A 641 1.515 5.949 -3.061 1.00 23.02 H new ATOM 0 HD3 LYS A 641 2.583 6.596 -4.291 1.00 23.02 H new ATOM 0 HE2 LYS A 641 -0.318 7.406 -3.902 1.00 2.01 H new ATOM 0 HE3 LYS A 641 1.064 8.301 -3.303 1.00 2.01 H new ATOM 0 HZ1 LYS A 641 0.475 9.347 -5.279 1.00 3.53 H new ATOM 0 HZ2 LYS A 641 1.807 8.391 -5.722 1.00 3.53 H new ATOM 0 HZ3 LYS A 641 0.233 7.889 -6.114 1.00 3.53 H new ATOM 2206 N LEU A 642 0.176 4.947 -1.283 1.00 2.51 N ATOM 2207 CA LEU A 642 -0.210 5.770 -0.184 1.00 61.21 C ATOM 2208 C LEU A 642 0.553 7.061 -0.268 1.00 11.14 C ATOM 2209 O LEU A 642 1.761 7.091 -0.062 1.00 41.42 O ATOM 2210 CB LEU A 642 0.150 5.087 1.099 1.00 20.05 C ATOM 2211 CG LEU A 642 -0.180 5.856 2.344 1.00 45.43 C ATOM 2212 CD1 LEU A 642 -1.678 5.932 2.550 1.00 34.12 C ATOM 2213 CD2 LEU A 642 0.521 5.267 3.525 1.00 72.03 C ATOM 0 H LEU A 642 1.161 4.681 -1.282 1.00 2.51 H new ATOM 0 HA LEU A 642 -1.284 5.953 -0.216 1.00 61.21 H new ATOM 0 HB2 LEU A 642 -0.363 4.126 1.137 1.00 20.05 H new ATOM 0 HB3 LEU A 642 1.220 4.877 1.093 1.00 20.05 H new ATOM 0 HG LEU A 642 0.179 6.879 2.229 1.00 45.43 H new ATOM 0 HD11 LEU A 642 -1.892 6.494 3.459 1.00 34.12 H new ATOM 0 HD12 LEU A 642 -2.138 6.432 1.697 1.00 34.12 H new ATOM 0 HD13 LEU A 642 -2.084 4.925 2.642 1.00 34.12 H new ATOM 0 HD21 LEU A 642 0.270 5.838 4.419 1.00 72.03 H new ATOM 0 HD22 LEU A 642 0.207 4.231 3.655 1.00 72.03 H new ATOM 0 HD23 LEU A 642 1.598 5.302 3.363 1.00 72.03 H new ATOM 2225 N GLU A 643 -0.117 8.085 -0.627 1.00 1.35 N ATOM 2226 CA GLU A 643 0.466 9.379 -0.724 1.00 3.00 C ATOM 2227 C GLU A 643 0.291 10.052 0.616 1.00 33.32 C ATOM 2228 O GLU A 643 -0.807 10.465 0.970 1.00 15.54 O ATOM 2229 CB GLU A 643 -0.262 10.124 -1.820 1.00 31.44 C ATOM 2230 CG GLU A 643 0.403 11.356 -2.350 1.00 64.01 C ATOM 2231 CD GLU A 643 -0.259 11.777 -3.630 1.00 42.22 C ATOM 2232 OE1 GLU A 643 -0.190 10.986 -4.621 1.00 24.02 O ATOM 2233 OE2 GLU A 643 -0.904 12.856 -3.675 1.00 52.32 O ATOM 0 H GLU A 643 -1.108 8.055 -0.869 1.00 1.35 H new ATOM 0 HA GLU A 643 1.528 9.349 -0.967 1.00 3.00 H new ATOM 0 HB2 GLU A 643 -0.420 9.437 -2.652 1.00 31.44 H new ATOM 0 HB3 GLU A 643 -1.247 10.403 -1.446 1.00 31.44 H new ATOM 0 HG2 GLU A 643 0.341 12.159 -1.616 1.00 64.01 H new ATOM 0 HG3 GLU A 643 1.462 11.164 -2.523 1.00 64.01 H new ATOM 2240 N VAL A 644 1.327 10.065 1.397 1.00 45.10 N ATOM 2241 CA VAL A 644 1.253 10.634 2.709 1.00 32.20 C ATOM 2242 C VAL A 644 1.645 12.066 2.643 1.00 35.03 C ATOM 2243 O VAL A 644 2.819 12.364 2.480 1.00 23.43 O ATOM 2244 CB VAL A 644 2.216 9.934 3.685 1.00 41.44 C ATOM 2245 CG1 VAL A 644 1.973 10.391 5.116 1.00 40.11 C ATOM 2246 CG2 VAL A 644 2.134 8.431 3.550 1.00 73.12 C ATOM 0 H VAL A 644 2.240 9.685 1.147 1.00 45.10 H new ATOM 0 HA VAL A 644 0.230 10.513 3.064 1.00 32.20 H new ATOM 0 HB VAL A 644 3.233 10.224 3.422 1.00 41.44 H new ATOM 0 HG11 VAL A 644 2.667 9.881 5.784 1.00 40.11 H new ATOM 0 HG12 VAL A 644 2.128 11.468 5.185 1.00 40.11 H new ATOM 0 HG13 VAL A 644 0.949 10.153 5.405 1.00 40.11 H new ATOM 0 HG21 VAL A 644 2.825 7.964 4.252 1.00 73.12 H new ATOM 0 HG22 VAL A 644 1.118 8.101 3.768 1.00 73.12 H new ATOM 0 HG23 VAL A 644 2.399 8.142 2.533 1.00 73.12 H new ATOM 2256 N ILE A 645 0.699 12.945 2.699 1.00 12.45 N ATOM 2257 CA ILE A 645 1.014 14.340 2.757 1.00 72.23 C ATOM 2258 C ILE A 645 1.044 14.690 4.219 1.00 54.33 C ATOM 2259 O ILE A 645 0.083 14.424 4.959 1.00 2.20 O ATOM 2260 CB ILE A 645 0.010 15.281 2.001 1.00 22.45 C ATOM 2261 CG1 ILE A 645 -0.107 14.930 0.501 1.00 34.04 C ATOM 2262 CG2 ILE A 645 0.441 16.743 2.145 1.00 61.13 C ATOM 2263 CD1 ILE A 645 -0.945 13.710 0.194 1.00 0.23 C ATOM 0 H ILE A 645 -0.297 12.726 2.706 1.00 12.45 H new ATOM 0 HA ILE A 645 1.964 14.501 2.248 1.00 72.23 H new ATOM 0 HB ILE A 645 -0.968 15.132 2.458 1.00 22.45 H new ATOM 0 HG12 ILE A 645 -0.531 15.785 -0.025 1.00 34.04 H new ATOM 0 HG13 ILE A 645 0.895 14.774 0.100 1.00 34.04 H new ATOM 0 HG21 ILE A 645 -0.264 17.384 1.616 1.00 61.13 H new ATOM 0 HG22 ILE A 645 0.458 17.015 3.200 1.00 61.13 H new ATOM 0 HG23 ILE A 645 1.437 16.872 1.721 1.00 61.13 H new ATOM 0 HD11 ILE A 645 -0.967 13.545 -0.883 1.00 0.23 H new ATOM 0 HD12 ILE A 645 -0.513 12.838 0.685 1.00 0.23 H new ATOM 0 HD13 ILE A 645 -1.961 13.865 0.558 1.00 0.23 H new ATOM 2275 N ILE A 646 2.130 15.219 4.649 1.00 31.03 N ATOM 2276 CA ILE A 646 2.325 15.463 6.035 1.00 34.22 C ATOM 2277 C ILE A 646 1.998 16.896 6.314 1.00 41.23 C ATOM 2278 O ILE A 646 2.462 17.803 5.610 1.00 32.34 O ATOM 2279 CB ILE A 646 3.786 15.142 6.512 1.00 72.13 C ATOM 2280 CG1 ILE A 646 4.246 13.729 6.100 1.00 52.23 C ATOM 2281 CG2 ILE A 646 3.904 15.274 8.015 1.00 23.45 C ATOM 2282 CD1 ILE A 646 4.582 13.584 4.637 1.00 53.53 C ATOM 0 H ILE A 646 2.910 15.496 4.053 1.00 31.03 H new ATOM 0 HA ILE A 646 1.666 14.796 6.591 1.00 34.22 H new ATOM 0 HB ILE A 646 4.432 15.870 6.020 1.00 72.13 H new ATOM 0 HG12 ILE A 646 5.122 13.459 6.690 1.00 52.23 H new ATOM 0 HG13 ILE A 646 3.460 13.017 6.352 1.00 52.23 H new ATOM 0 HG21 ILE A 646 4.925 15.047 8.321 1.00 23.45 H new ATOM 0 HG22 ILE A 646 3.655 16.293 8.311 1.00 23.45 H new ATOM 0 HG23 ILE A 646 3.217 14.578 8.496 1.00 23.45 H new ATOM 0 HD11 ILE A 646 4.896 12.560 4.436 1.00 53.53 H new ATOM 0 HD12 ILE A 646 3.703 13.819 4.037 1.00 53.53 H new ATOM 0 HD13 ILE A 646 5.390 14.268 4.380 1.00 53.53 H new ATOM 2294 N GLU A 647 1.182 17.102 7.283 1.00 2.05 N ATOM 2295 CA GLU A 647 0.772 18.394 7.646 1.00 11.31 C ATOM 2296 C GLU A 647 1.664 18.954 8.716 1.00 44.03 C ATOM 2297 O GLU A 647 1.787 18.392 9.821 1.00 32.34 O ATOM 2298 CB GLU A 647 -0.685 18.405 8.050 1.00 32.52 C ATOM 2299 CG GLU A 647 -1.593 17.946 6.925 1.00 34.41 C ATOM 2300 CD GLU A 647 -3.023 18.294 7.159 1.00 4.41 C ATOM 2301 OE1 GLU A 647 -3.298 19.457 7.512 1.00 10.30 O ATOM 2302 OE2 GLU A 647 -3.892 17.448 6.910 1.00 30.11 O ATOM 0 H GLU A 647 0.777 16.358 7.852 1.00 2.05 H new ATOM 0 HA GLU A 647 0.865 19.045 6.777 1.00 11.31 H new ATOM 0 HB2 GLU A 647 -0.826 17.758 8.916 1.00 32.52 H new ATOM 0 HB3 GLU A 647 -0.968 19.412 8.356 1.00 32.52 H new ATOM 0 HG2 GLU A 647 -1.262 18.398 5.990 1.00 34.41 H new ATOM 0 HG3 GLU A 647 -1.501 16.866 6.807 1.00 34.41 H new ATOM 2309 N GLU A 648 2.324 20.027 8.359 1.00 71.34 N ATOM 2310 CA GLU A 648 3.212 20.740 9.232 1.00 12.42 C ATOM 2311 C GLU A 648 2.386 21.253 10.425 1.00 64.20 C ATOM 2312 O GLU A 648 1.225 21.649 10.244 1.00 21.52 O ATOM 2313 CB GLU A 648 3.822 21.907 8.441 1.00 24.22 C ATOM 2314 CG GLU A 648 4.992 22.616 9.105 1.00 62.11 C ATOM 2315 CD GLU A 648 6.258 21.792 9.166 1.00 34.31 C ATOM 2316 OE1 GLU A 648 6.292 20.645 8.691 1.00 41.33 O ATOM 2317 OE2 GLU A 648 7.267 22.277 9.680 1.00 53.45 O ATOM 0 H GLU A 648 2.254 20.437 7.428 1.00 71.34 H new ATOM 0 HA GLU A 648 4.018 20.106 9.602 1.00 12.42 H new ATOM 0 HB2 GLU A 648 4.151 21.532 7.472 1.00 24.22 H new ATOM 0 HB3 GLU A 648 3.039 22.640 8.249 1.00 24.22 H new ATOM 0 HG2 GLU A 648 5.198 23.540 8.564 1.00 62.11 H new ATOM 0 HG3 GLU A 648 4.705 22.897 10.118 1.00 62.11 H new ATOM 2324 N SER A 649 2.967 21.210 11.615 1.00 42.33 N ATOM 2325 CA SER A 649 2.294 21.595 12.845 1.00 41.54 C ATOM 2326 C SER A 649 1.766 23.030 12.717 1.00 42.12 C ATOM 2327 O SER A 649 2.544 23.986 12.574 1.00 33.12 O ATOM 2328 CB SER A 649 3.270 21.461 14.031 1.00 4.31 C ATOM 2329 OG SER A 649 2.595 21.433 15.287 1.00 71.24 O ATOM 0 H SER A 649 3.930 20.903 11.754 1.00 42.33 H new ATOM 0 HA SER A 649 1.445 20.936 13.026 1.00 41.54 H new ATOM 0 HB2 SER A 649 3.856 20.549 13.915 1.00 4.31 H new ATOM 0 HB3 SER A 649 3.972 22.295 14.017 1.00 4.31 H new ATOM 0 HG SER A 649 3.252 21.345 16.009 1.00 71.24 H new