USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 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 Single : A 506 THR OG1 : rot 18:sc= 0.407 USER MOD Single : A 512 THR OG1 : rot 78:sc= 0.92 USER MOD Single : A 513 HIS : no HE2:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 515 SER OG : rot 180:sc= 0.124 USER MOD Single : A 517 SER OG : rot -170:sc= -0.788 USER MOD Single : A 521 MET CE :methyl 178:sc= -4.33! (180deg=-4.38!) USER MOD Single : A 524 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0147) USER MOD Single : A 528 THR OG1 : rot -158:sc= -3.32! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.36! X(o=-1.4!,f=-0.87) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 59:sc= 0.782 USER MOD Single : A 545 THR OG1 : rot -30:sc= 0.484 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot -99:sc= 0.96 USER MOD Single : A 563 GLN : amide:sc= -0.0155 K(o=-0.016,f=-1) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 569 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.06) USER MOD Single : A 570 THR OG1 : rot 165:sc= 1.31 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -3.43! K(o=-3.4!,f=-0.63) USER MOD Single : A 585 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.841) USER MOD Single : A 586 THR OG1 : rot 40:sc= 0.705 USER MOD Single : A 639 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-1.2) USER MOD Single : A 640 THR OG1 : rot 46:sc= 0.447 USER MOD Single : A 641 LYS NZ :NH3+ -176:sc= 1.18 (180deg=0.946) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.748 -13.879 -3.765 1.00 5.22 N ATOM 29 CA GLY A 503 -6.475 -12.802 -3.212 1.00 41.33 C ATOM 30 C GLY A 503 -5.930 -11.418 -3.458 1.00 14.50 C ATOM 31 O GLY A 503 -4.987 -11.223 -4.222 1.00 72.04 O ATOM 0 HA2 GLY A 503 -7.492 -12.842 -3.603 1.00 41.33 H new ATOM 0 HA3 GLY A 503 -6.542 -12.955 -2.135 1.00 41.33 H new ATOM 35 N ILE A 504 -6.506 -10.488 -2.712 1.00 2.33 N ATOM 36 CA ILE A 504 -6.357 -9.049 -2.888 1.00 12.31 C ATOM 37 C ILE A 504 -5.567 -8.420 -1.731 1.00 41.33 C ATOM 38 O ILE A 504 -5.789 -8.767 -0.577 1.00 63.11 O ATOM 39 CB ILE A 504 -7.795 -8.367 -2.908 1.00 2.20 C ATOM 40 CG1 ILE A 504 -8.668 -8.777 -4.124 1.00 23.11 C ATOM 41 CG2 ILE A 504 -7.742 -6.855 -2.773 1.00 73.11 C ATOM 42 CD1 ILE A 504 -9.290 -10.162 -4.038 1.00 15.14 C ATOM 0 H ILE A 504 -7.118 -10.725 -1.931 1.00 2.33 H new ATOM 0 HA ILE A 504 -5.823 -8.887 -3.824 1.00 12.31 H new ATOM 0 HB ILE A 504 -8.285 -8.762 -2.018 1.00 2.20 H new ATOM 0 HG12 ILE A 504 -9.467 -8.044 -4.241 1.00 23.11 H new ATOM 0 HG13 ILE A 504 -8.055 -8.727 -5.024 1.00 23.11 H new ATOM 0 HG21 ILE A 504 -8.755 -6.452 -2.794 1.00 73.11 H new ATOM 0 HG22 ILE A 504 -7.266 -6.590 -1.829 1.00 73.11 H new ATOM 0 HG23 ILE A 504 -7.168 -6.436 -3.599 1.00 73.11 H new ATOM 0 HD11 ILE A 504 -9.880 -10.352 -4.935 1.00 15.14 H new ATOM 0 HD12 ILE A 504 -8.502 -10.910 -3.956 1.00 15.14 H new ATOM 0 HD13 ILE A 504 -9.935 -10.217 -3.161 1.00 15.14 H new ATOM 54 N PHE A 505 -4.644 -7.531 -2.057 1.00 21.50 N ATOM 55 CA PHE A 505 -3.949 -6.704 -1.071 1.00 33.24 C ATOM 56 C PHE A 505 -3.954 -5.251 -1.551 1.00 4.34 C ATOM 57 O PHE A 505 -3.514 -4.954 -2.663 1.00 30.54 O ATOM 58 CB PHE A 505 -2.516 -7.193 -0.829 1.00 11.11 C ATOM 59 CG PHE A 505 -2.456 -8.517 -0.132 1.00 32.43 C ATOM 60 CD1 PHE A 505 -2.532 -8.582 1.246 1.00 2.21 C ATOM 61 CD2 PHE A 505 -2.346 -9.694 -0.850 1.00 71.23 C ATOM 62 CE1 PHE A 505 -2.493 -9.793 1.895 1.00 2.23 C ATOM 63 CE2 PHE A 505 -2.309 -10.909 -0.203 1.00 61.21 C ATOM 64 CZ PHE A 505 -2.382 -10.957 1.172 1.00 35.33 C ATOM 0 H PHE A 505 -4.350 -7.358 -3.018 1.00 21.50 H new ATOM 0 HA PHE A 505 -4.473 -6.779 -0.118 1.00 33.24 H new ATOM 0 HB2 PHE A 505 -1.998 -7.269 -1.785 1.00 11.11 H new ATOM 0 HB3 PHE A 505 -1.981 -6.452 -0.235 1.00 11.11 H new ATOM 0 HD1 PHE A 505 -2.623 -7.671 1.819 1.00 2.21 H new ATOM 0 HD2 PHE A 505 -2.289 -9.660 -1.928 1.00 71.23 H new ATOM 0 HE1 PHE A 505 -2.550 -9.830 2.973 1.00 2.23 H new ATOM 0 HE2 PHE A 505 -2.223 -11.823 -0.772 1.00 61.21 H new ATOM 0 HZ PHE A 505 -2.352 -11.909 1.682 1.00 35.33 H new ATOM 74 N THR A 506 -4.470 -4.357 -0.746 1.00 61.41 N ATOM 75 CA THR A 506 -4.597 -2.975 -1.141 1.00 64.04 C ATOM 76 C THR A 506 -4.508 -2.082 0.106 1.00 52.53 C ATOM 77 O THR A 506 -4.638 -2.579 1.237 1.00 52.12 O ATOM 78 CB THR A 506 -5.981 -2.755 -1.870 1.00 34.22 C ATOM 79 OG1 THR A 506 -6.071 -1.444 -2.469 1.00 55.44 O ATOM 80 CG2 THR A 506 -7.160 -2.959 -0.916 1.00 21.14 C ATOM 0 H THR A 506 -4.811 -4.562 0.193 1.00 61.41 H new ATOM 0 HA THR A 506 -3.792 -2.714 -1.828 1.00 64.04 H new ATOM 0 HB THR A 506 -6.032 -3.504 -2.660 1.00 34.22 H new ATOM 0 HG1 THR A 506 -5.172 -1.064 -2.561 1.00 55.44 H new ATOM 0 HG21 THR A 506 -8.095 -2.799 -1.453 1.00 21.14 H new ATOM 0 HG22 THR A 506 -7.137 -3.975 -0.522 1.00 21.14 H new ATOM 0 HG23 THR A 506 -7.089 -2.248 -0.093 1.00 21.14 H new ATOM 88 N PHE A 507 -4.262 -0.795 -0.091 1.00 62.13 N ATOM 89 CA PHE A 507 -4.288 0.160 1.010 1.00 21.31 C ATOM 90 C PHE A 507 -5.702 0.595 1.227 1.00 42.03 C ATOM 91 O PHE A 507 -6.547 0.414 0.346 1.00 73.01 O ATOM 92 CB PHE A 507 -3.443 1.406 0.729 1.00 25.30 C ATOM 93 CG PHE A 507 -1.965 1.218 0.797 1.00 54.05 C ATOM 94 CD1 PHE A 507 -1.313 1.247 2.013 1.00 41.22 C ATOM 95 CD2 PHE A 507 -1.225 1.058 -0.350 1.00 63.32 C ATOM 96 CE1 PHE A 507 0.054 1.114 2.080 1.00 53.30 C ATOM 97 CE2 PHE A 507 0.144 0.918 -0.294 1.00 70.15 C ATOM 98 CZ PHE A 507 0.785 0.948 0.924 1.00 53.10 C ATOM 0 H PHE A 507 -4.043 -0.388 -1.000 1.00 62.13 H new ATOM 0 HA PHE A 507 -3.872 -0.336 1.887 1.00 21.31 H new ATOM 0 HB2 PHE A 507 -3.697 1.778 -0.263 1.00 25.30 H new ATOM 0 HB3 PHE A 507 -3.725 2.181 1.442 1.00 25.30 H new ATOM 0 HD1 PHE A 507 -1.882 1.376 2.922 1.00 41.22 H new ATOM 0 HD2 PHE A 507 -1.724 1.042 -1.308 1.00 63.32 H new ATOM 0 HE1 PHE A 507 0.554 1.140 3.037 1.00 53.30 H new ATOM 0 HE2 PHE A 507 0.713 0.785 -1.202 1.00 70.15 H new ATOM 0 HZ PHE A 507 1.859 0.842 0.973 1.00 53.10 H new ATOM 108 N GLU A 508 -5.981 1.110 2.389 1.00 35.33 N ATOM 109 CA GLU A 508 -7.287 1.625 2.682 1.00 33.54 C ATOM 110 C GLU A 508 -7.390 3.040 2.102 1.00 0.03 C ATOM 111 O GLU A 508 -8.354 3.371 1.419 1.00 43.05 O ATOM 112 CB GLU A 508 -7.515 1.562 4.200 1.00 71.21 C ATOM 113 CG GLU A 508 -8.968 1.527 4.647 1.00 45.42 C ATOM 114 CD GLU A 508 -9.720 2.826 4.471 1.00 32.15 C ATOM 115 OE1 GLU A 508 -9.535 3.740 5.306 1.00 54.15 O ATOM 116 OE2 GLU A 508 -10.537 2.926 3.527 1.00 52.40 O ATOM 0 H GLU A 508 -5.314 1.185 3.157 1.00 35.33 H new ATOM 0 HA GLU A 508 -8.076 1.031 2.222 1.00 33.54 H new ATOM 0 HB2 GLU A 508 -7.013 0.676 4.588 1.00 71.21 H new ATOM 0 HB3 GLU A 508 -7.034 2.427 4.657 1.00 71.21 H new ATOM 0 HG2 GLU A 508 -9.486 0.746 4.090 1.00 45.42 H new ATOM 0 HG3 GLU A 508 -9.002 1.244 5.699 1.00 45.42 H new ATOM 123 N GLU A 509 -6.358 3.827 2.302 1.00 51.31 N ATOM 124 CA GLU A 509 -6.313 5.161 1.760 1.00 75.20 C ATOM 125 C GLU A 509 -5.047 5.318 0.929 1.00 1.04 C ATOM 126 O GLU A 509 -4.002 4.798 1.303 1.00 25.45 O ATOM 127 CB GLU A 509 -6.407 6.215 2.880 1.00 22.01 C ATOM 128 CG GLU A 509 -5.289 6.201 3.908 1.00 62.54 C ATOM 129 CD GLU A 509 -5.640 7.004 5.151 1.00 41.00 C ATOM 130 OE1 GLU A 509 -5.605 8.242 5.127 1.00 52.44 O ATOM 131 OE2 GLU A 509 -5.961 6.388 6.194 1.00 71.12 O ATOM 0 H GLU A 509 -5.534 3.561 2.841 1.00 51.31 H new ATOM 0 HA GLU A 509 -7.174 5.323 1.111 1.00 75.20 H new ATOM 0 HB2 GLU A 509 -6.437 7.203 2.420 1.00 22.01 H new ATOM 0 HB3 GLU A 509 -7.354 6.077 3.402 1.00 22.01 H new ATOM 0 HG2 GLU A 509 -5.072 5.171 4.192 1.00 62.54 H new ATOM 0 HG3 GLU A 509 -4.381 6.606 3.460 1.00 62.54 H new ATOM 138 N PRO A 510 -5.130 5.950 -0.258 1.00 32.03 N ATOM 139 CA PRO A 510 -3.962 6.164 -1.102 1.00 51.53 C ATOM 140 C PRO A 510 -3.261 7.492 -0.815 1.00 75.20 C ATOM 141 O PRO A 510 -2.201 7.777 -1.360 1.00 22.13 O ATOM 142 CB PRO A 510 -4.550 6.163 -2.503 1.00 23.13 C ATOM 143 CG PRO A 510 -5.938 6.696 -2.341 1.00 31.33 C ATOM 144 CD PRO A 510 -6.365 6.446 -0.905 1.00 1.25 C ATOM 0 HA PRO A 510 -3.195 5.407 -0.939 1.00 51.53 H new ATOM 0 HB2 PRO A 510 -3.964 6.787 -3.177 1.00 23.13 H new ATOM 0 HB3 PRO A 510 -4.560 5.159 -2.926 1.00 23.13 H new ATOM 0 HG2 PRO A 510 -5.967 7.762 -2.569 1.00 31.33 H new ATOM 0 HG3 PRO A 510 -6.620 6.203 -3.034 1.00 31.33 H new ATOM 0 HD2 PRO A 510 -6.729 7.357 -0.430 1.00 1.25 H new ATOM 0 HD3 PRO A 510 -7.170 5.713 -0.848 1.00 1.25 H new ATOM 152 N VAL A 511 -3.869 8.290 0.024 1.00 11.43 N ATOM 153 CA VAL A 511 -3.358 9.583 0.438 1.00 32.21 C ATOM 154 C VAL A 511 -3.706 9.749 1.878 1.00 11.24 C ATOM 155 O VAL A 511 -4.827 9.466 2.268 1.00 32.11 O ATOM 156 CB VAL A 511 -3.988 10.775 -0.375 1.00 74.33 C ATOM 157 CG1 VAL A 511 -3.565 12.115 0.193 1.00 51.11 C ATOM 158 CG2 VAL A 511 -3.606 10.711 -1.835 1.00 2.00 C ATOM 0 H VAL A 511 -4.763 8.055 0.455 1.00 11.43 H new ATOM 0 HA VAL A 511 -2.283 9.608 0.259 1.00 32.21 H new ATOM 0 HB VAL A 511 -5.070 10.677 -0.287 1.00 74.33 H new ATOM 0 HG11 VAL A 511 -4.017 12.917 -0.391 1.00 51.11 H new ATOM 0 HG12 VAL A 511 -3.894 12.191 1.229 1.00 51.11 H new ATOM 0 HG13 VAL A 511 -2.479 12.202 0.150 1.00 51.11 H new ATOM 0 HG21 VAL A 511 -4.058 11.549 -2.366 1.00 2.00 H new ATOM 0 HG22 VAL A 511 -2.521 10.764 -1.930 1.00 2.00 H new ATOM 0 HG23 VAL A 511 -3.963 9.774 -2.264 1.00 2.00 H new ATOM 168 N THR A 512 -2.763 10.160 2.653 1.00 42.22 N ATOM 169 CA THR A 512 -2.992 10.385 4.027 1.00 10.42 C ATOM 170 C THR A 512 -2.194 11.647 4.408 1.00 5.43 C ATOM 171 O THR A 512 -1.126 11.915 3.821 1.00 43.33 O ATOM 172 CB THR A 512 -2.574 9.114 4.872 1.00 75.15 C ATOM 173 OG1 THR A 512 -3.186 9.128 6.164 1.00 12.22 O ATOM 174 CG2 THR A 512 -1.065 9.004 5.031 1.00 42.24 C ATOM 0 H THR A 512 -1.809 10.349 2.345 1.00 42.22 H new ATOM 0 HA THR A 512 -4.048 10.546 4.242 1.00 10.42 H new ATOM 0 HB THR A 512 -2.926 8.245 4.316 1.00 75.15 H new ATOM 0 HG1 THR A 512 -4.123 8.853 6.085 1.00 12.22 H new ATOM 0 HG21 THR A 512 -0.825 8.117 5.618 1.00 42.24 H new ATOM 0 HG22 THR A 512 -0.600 8.926 4.048 1.00 42.24 H new ATOM 0 HG23 THR A 512 -0.687 9.890 5.541 1.00 42.24 H new ATOM 182 N HIS A 513 -2.735 12.455 5.284 1.00 22.02 N ATOM 183 CA HIS A 513 -2.035 13.650 5.742 1.00 1.13 C ATOM 184 C HIS A 513 -1.742 13.469 7.185 1.00 51.34 C ATOM 185 O HIS A 513 -2.648 13.170 7.982 1.00 55.50 O ATOM 186 CB HIS A 513 -2.826 14.961 5.533 1.00 34.34 C ATOM 187 CG HIS A 513 -3.119 15.327 4.106 1.00 13.25 C ATOM 188 ND1 HIS A 513 -2.610 16.447 3.483 1.00 53.52 N ATOM 189 CD2 HIS A 513 -3.924 14.731 3.194 1.00 70.02 C ATOM 190 CE1 HIS A 513 -3.104 16.498 2.247 1.00 40.15 C ATOM 191 NE2 HIS A 513 -3.914 15.476 2.019 1.00 44.32 N ATOM 0 H HIS A 513 -3.656 12.316 5.700 1.00 22.02 H new ATOM 0 HA HIS A 513 -1.129 13.756 5.145 1.00 1.13 H new ATOM 0 HB2 HIS A 513 -3.771 14.882 6.070 1.00 34.34 H new ATOM 0 HB3 HIS A 513 -2.267 15.777 5.990 1.00 34.34 H new ATOM 0 HD1 HIS A 513 -1.966 17.121 3.897 1.00 53.52 H new ATOM 0 HD2 HIS A 513 -4.485 13.822 3.354 1.00 70.02 H new ATOM 0 HE1 HIS A 513 -2.874 17.270 1.527 1.00 40.15 H new ATOM 199 N VAL A 514 -0.525 13.647 7.546 1.00 52.43 N ATOM 200 CA VAL A 514 -0.122 13.358 8.884 1.00 33.43 C ATOM 201 C VAL A 514 0.262 14.603 9.602 1.00 21.21 C ATOM 202 O VAL A 514 0.466 15.658 8.985 1.00 33.01 O ATOM 203 CB VAL A 514 1.041 12.324 8.940 1.00 42.41 C ATOM 204 CG1 VAL A 514 0.611 11.012 8.309 1.00 44.10 C ATOM 205 CG2 VAL A 514 2.297 12.857 8.253 1.00 33.25 C ATOM 0 H VAL A 514 0.216 13.992 6.936 1.00 52.43 H new ATOM 0 HA VAL A 514 -0.982 12.911 9.383 1.00 33.43 H new ATOM 0 HB VAL A 514 1.283 12.151 9.989 1.00 42.41 H new ATOM 0 HG11 VAL A 514 1.434 10.299 8.355 1.00 44.10 H new ATOM 0 HG12 VAL A 514 -0.247 10.612 8.850 1.00 44.10 H new ATOM 0 HG13 VAL A 514 0.336 11.182 7.268 1.00 44.10 H new ATOM 0 HG21 VAL A 514 3.088 12.110 8.311 1.00 33.25 H new ATOM 0 HG22 VAL A 514 2.076 13.072 7.207 1.00 33.25 H new ATOM 0 HG23 VAL A 514 2.624 13.771 8.750 1.00 33.25 H new ATOM 215 N SER A 515 0.340 14.505 10.890 1.00 62.20 N ATOM 216 CA SER A 515 0.762 15.598 11.667 1.00 14.04 C ATOM 217 C SER A 515 2.251 15.537 11.745 1.00 73.42 C ATOM 218 O SER A 515 2.824 14.465 11.764 1.00 15.20 O ATOM 219 CB SER A 515 0.160 15.535 13.067 1.00 42.22 C ATOM 220 OG SER A 515 0.536 16.674 13.835 1.00 0.42 O ATOM 0 H SER A 515 0.112 13.664 11.420 1.00 62.20 H new ATOM 0 HA SER A 515 0.433 16.533 11.213 1.00 14.04 H new ATOM 0 HB2 SER A 515 -0.926 15.481 12.998 1.00 42.22 H new ATOM 0 HB3 SER A 515 0.493 14.627 13.570 1.00 42.22 H new ATOM 0 HG SER A 515 0.137 16.613 14.728 1.00 0.42 H new ATOM 226 N GLU A 516 2.873 16.654 11.761 1.00 72.14 N ATOM 227 CA GLU A 516 4.290 16.696 11.880 1.00 34.12 C ATOM 228 C GLU A 516 4.697 16.491 13.354 1.00 50.11 C ATOM 229 O GLU A 516 5.862 16.259 13.675 1.00 12.51 O ATOM 230 CB GLU A 516 4.776 18.012 11.358 1.00 1.20 C ATOM 231 CG GLU A 516 6.249 18.071 11.162 1.00 21.35 C ATOM 232 CD GLU A 516 6.662 19.373 10.635 1.00 53.55 C ATOM 233 OE1 GLU A 516 6.589 19.585 9.395 1.00 21.35 O ATOM 234 OE2 GLU A 516 7.094 20.225 11.408 1.00 2.52 O ATOM 0 H GLU A 516 2.422 17.566 11.693 1.00 72.14 H new ATOM 0 HA GLU A 516 4.745 15.896 11.296 1.00 34.12 H new ATOM 0 HB2 GLU A 516 4.284 18.220 10.408 1.00 1.20 H new ATOM 0 HB3 GLU A 516 4.479 18.800 12.051 1.00 1.20 H new ATOM 0 HG2 GLU A 516 6.752 17.884 12.110 1.00 21.35 H new ATOM 0 HG3 GLU A 516 6.559 17.283 10.475 1.00 21.35 H new ATOM 241 N SER A 517 3.716 16.525 14.231 1.00 64.14 N ATOM 242 CA SER A 517 3.949 16.349 15.643 1.00 15.41 C ATOM 243 C SER A 517 3.667 14.898 16.040 1.00 51.12 C ATOM 244 O SER A 517 3.503 14.573 17.216 1.00 75.31 O ATOM 245 CB SER A 517 3.065 17.318 16.426 1.00 33.43 C ATOM 246 OG SER A 517 3.313 18.662 16.017 1.00 51.34 O ATOM 0 H SER A 517 2.738 16.675 13.983 1.00 64.14 H new ATOM 0 HA SER A 517 4.991 16.565 15.877 1.00 15.41 H new ATOM 0 HB2 SER A 517 2.015 17.071 16.267 1.00 33.43 H new ATOM 0 HB3 SER A 517 3.259 17.215 17.494 1.00 33.43 H new ATOM 0 HG SER A 517 2.861 19.279 16.630 1.00 51.34 H new ATOM 252 N ILE A 518 3.624 14.036 15.047 1.00 15.01 N ATOM 253 CA ILE A 518 3.388 12.641 15.266 1.00 21.52 C ATOM 254 C ILE A 518 4.739 11.914 15.312 1.00 75.32 C ATOM 255 O ILE A 518 5.757 12.444 14.805 1.00 3.32 O ATOM 256 CB ILE A 518 2.491 12.067 14.134 1.00 4.05 C ATOM 257 CG1 ILE A 518 1.762 10.827 14.609 1.00 1.23 C ATOM 258 CG2 ILE A 518 3.307 11.736 12.879 1.00 62.01 C ATOM 259 CD1 ILE A 518 0.753 10.356 13.624 1.00 64.04 C ATOM 0 H ILE A 518 3.753 14.291 14.068 1.00 15.01 H new ATOM 0 HA ILE A 518 2.868 12.495 16.213 1.00 21.52 H new ATOM 0 HB ILE A 518 1.764 12.837 13.876 1.00 4.05 H new ATOM 0 HG12 ILE A 518 2.484 10.032 14.795 1.00 1.23 H new ATOM 0 HG13 ILE A 518 1.269 11.039 15.558 1.00 1.23 H new ATOM 0 HG21 ILE A 518 2.646 11.337 12.110 1.00 62.01 H new ATOM 0 HG22 ILE A 518 3.789 12.641 12.509 1.00 62.01 H new ATOM 0 HG23 ILE A 518 4.067 10.994 13.124 1.00 62.01 H new ATOM 0 HD11 ILE A 518 0.257 9.465 14.009 1.00 64.04 H new ATOM 0 HD12 ILE A 518 0.014 11.140 13.457 1.00 64.04 H new ATOM 0 HD13 ILE A 518 1.248 10.117 12.682 1.00 64.04 H new ATOM 271 N GLY A 519 4.764 10.758 15.921 1.00 24.25 N ATOM 272 CA GLY A 519 5.968 9.989 15.982 1.00 75.15 C ATOM 273 C GLY A 519 5.933 8.852 14.996 1.00 63.44 C ATOM 274 O GLY A 519 6.770 8.767 14.084 1.00 1.14 O ATOM 0 H GLY A 519 3.960 10.332 16.381 1.00 24.25 H new ATOM 0 HA2 GLY A 519 6.824 10.630 15.773 1.00 75.15 H new ATOM 0 HA3 GLY A 519 6.102 9.597 16.990 1.00 75.15 H new ATOM 278 N ILE A 520 4.951 8.000 15.156 1.00 61.53 N ATOM 279 CA ILE A 520 4.771 6.845 14.310 1.00 25.41 C ATOM 280 C ILE A 520 3.394 6.890 13.694 1.00 45.11 C ATOM 281 O ILE A 520 2.401 7.053 14.398 1.00 11.42 O ATOM 282 CB ILE A 520 4.916 5.501 15.111 1.00 11.23 C ATOM 283 CG1 ILE A 520 6.345 5.308 15.650 1.00 41.12 C ATOM 284 CG2 ILE A 520 4.487 4.292 14.270 1.00 30.02 C ATOM 285 CD1 ILE A 520 7.400 5.169 14.572 1.00 53.23 C ATOM 0 H ILE A 520 4.245 8.090 15.887 1.00 61.53 H new ATOM 0 HA ILE A 520 5.546 6.873 13.544 1.00 25.41 H new ATOM 0 HB ILE A 520 4.244 5.571 15.966 1.00 11.23 H new ATOM 0 HG12 ILE A 520 6.600 6.156 16.285 1.00 41.12 H new ATOM 0 HG13 ILE A 520 6.367 4.420 16.281 1.00 41.12 H new ATOM 0 HG21 ILE A 520 4.601 3.381 14.858 1.00 30.02 H new ATOM 0 HG22 ILE A 520 3.444 4.405 13.976 1.00 30.02 H new ATOM 0 HG23 ILE A 520 5.111 4.229 13.378 1.00 30.02 H new ATOM 0 HD11 ILE A 520 8.378 5.037 15.035 1.00 53.23 H new ATOM 0 HD12 ILE A 520 7.173 4.303 13.950 1.00 53.23 H new ATOM 0 HD13 ILE A 520 7.409 6.067 13.954 1.00 53.23 H new ATOM 297 N MET A 521 3.333 6.786 12.401 1.00 63.32 N ATOM 298 CA MET A 521 2.059 6.679 11.726 1.00 4.13 C ATOM 299 C MET A 521 1.868 5.244 11.310 1.00 61.52 C ATOM 300 O MET A 521 2.835 4.579 10.917 1.00 50.23 O ATOM 301 CB MET A 521 1.952 7.613 10.502 1.00 53.31 C ATOM 302 CG MET A 521 2.938 7.316 9.380 1.00 13.21 C ATOM 303 SD MET A 521 2.648 8.340 7.935 1.00 71.32 S ATOM 304 CE MET A 521 3.891 7.730 6.819 1.00 22.34 C ATOM 0 H MET A 521 4.146 6.772 11.785 1.00 63.32 H new ATOM 0 HA MET A 521 1.275 6.992 12.415 1.00 4.13 H new ATOM 0 HB2 MET A 521 0.940 7.550 10.103 1.00 53.31 H new ATOM 0 HB3 MET A 521 2.100 8.641 10.834 1.00 53.31 H new ATOM 0 HG2 MET A 521 3.954 7.477 9.739 1.00 13.21 H new ATOM 0 HG3 MET A 521 2.862 6.265 9.100 1.00 13.21 H new ATOM 0 HE1 MET A 521 3.809 8.249 5.864 1.00 22.34 H new ATOM 0 HE2 MET A 521 4.879 7.906 7.244 1.00 22.34 H new ATOM 0 HE3 MET A 521 3.748 6.661 6.664 1.00 22.34 H new ATOM 314 N GLU A 522 0.667 4.760 11.463 1.00 21.31 N ATOM 315 CA GLU A 522 0.309 3.424 11.065 1.00 35.14 C ATOM 316 C GLU A 522 -0.796 3.451 10.037 1.00 3.22 C ATOM 317 O GLU A 522 -1.896 3.962 10.292 1.00 61.31 O ATOM 318 CB GLU A 522 -0.124 2.595 12.247 1.00 64.13 C ATOM 319 CG GLU A 522 1.000 2.149 13.147 1.00 55.33 C ATOM 320 CD GLU A 522 0.508 1.271 14.252 1.00 74.31 C ATOM 321 OE1 GLU A 522 0.252 0.074 14.006 1.00 53.24 O ATOM 322 OE2 GLU A 522 0.340 1.762 15.391 1.00 71.41 O ATOM 0 H GLU A 522 -0.103 5.289 11.873 1.00 21.31 H new ATOM 0 HA GLU A 522 1.197 2.968 10.627 1.00 35.14 H new ATOM 0 HB2 GLU A 522 -0.837 3.171 12.837 1.00 64.13 H new ATOM 0 HB3 GLU A 522 -0.651 1.713 11.882 1.00 64.13 H new ATOM 0 HG2 GLU A 522 1.745 1.612 12.560 1.00 55.33 H new ATOM 0 HG3 GLU A 522 1.496 3.023 13.570 1.00 55.33 H new ATOM 329 N VAL A 523 -0.510 2.910 8.894 1.00 73.14 N ATOM 330 CA VAL A 523 -1.461 2.871 7.802 1.00 20.42 C ATOM 331 C VAL A 523 -2.001 1.458 7.638 1.00 13.21 C ATOM 332 O VAL A 523 -1.227 0.502 7.597 1.00 62.22 O ATOM 333 CB VAL A 523 -0.804 3.334 6.491 1.00 74.34 C ATOM 334 CG1 VAL A 523 -1.828 3.410 5.359 1.00 52.40 C ATOM 335 CG2 VAL A 523 -0.123 4.674 6.702 1.00 33.12 C ATOM 0 H VAL A 523 0.389 2.479 8.681 1.00 73.14 H new ATOM 0 HA VAL A 523 -2.283 3.548 8.035 1.00 20.42 H new ATOM 0 HB VAL A 523 -0.051 2.601 6.200 1.00 74.34 H new ATOM 0 HG11 VAL A 523 -1.335 3.740 4.444 1.00 52.40 H new ATOM 0 HG12 VAL A 523 -2.268 2.425 5.199 1.00 52.40 H new ATOM 0 HG13 VAL A 523 -2.612 4.119 5.625 1.00 52.40 H new ATOM 0 HG21 VAL A 523 0.341 4.997 5.770 1.00 33.12 H new ATOM 0 HG22 VAL A 523 -0.861 5.412 7.015 1.00 33.12 H new ATOM 0 HG23 VAL A 523 0.641 4.576 7.473 1.00 33.12 H new ATOM 345 N LYS A 524 -3.311 1.346 7.558 1.00 21.40 N ATOM 346 CA LYS A 524 -4.002 0.070 7.449 1.00 4.13 C ATOM 347 C LYS A 524 -3.952 -0.516 6.053 1.00 40.14 C ATOM 348 O LYS A 524 -4.219 0.166 5.045 1.00 61.32 O ATOM 349 CB LYS A 524 -5.451 0.209 7.920 1.00 2.11 C ATOM 350 CG LYS A 524 -5.571 0.419 9.414 1.00 54.22 C ATOM 351 CD LYS A 524 -5.326 -0.877 10.168 1.00 21.11 C ATOM 352 CE LYS A 524 -5.162 -0.649 11.657 1.00 55.35 C ATOM 353 NZ LYS A 524 -6.321 0.025 12.276 1.00 72.34 N ATOM 0 H LYS A 524 -3.939 2.150 7.567 1.00 21.40 H new ATOM 0 HA LYS A 524 -3.474 -0.629 8.097 1.00 4.13 H new ATOM 0 HB2 LYS A 524 -5.916 1.048 7.402 1.00 2.11 H new ATOM 0 HB3 LYS A 524 -6.006 -0.686 7.639 1.00 2.11 H new ATOM 0 HG2 LYS A 524 -4.854 1.173 9.737 1.00 54.22 H new ATOM 0 HG3 LYS A 524 -6.564 0.800 9.653 1.00 54.22 H new ATOM 0 HD2 LYS A 524 -6.159 -1.559 9.996 1.00 21.11 H new ATOM 0 HD3 LYS A 524 -4.432 -1.361 9.775 1.00 21.11 H new ATOM 0 HE2 LYS A 524 -5.003 -1.609 12.149 1.00 55.35 H new ATOM 0 HE3 LYS A 524 -4.268 -0.050 11.830 1.00 55.35 H new ATOM 0 HZ1 LYS A 524 -6.184 0.075 13.306 1.00 72.34 H new ATOM 0 HZ2 LYS A 524 -6.410 0.987 11.891 1.00 72.34 H new ATOM 0 HZ3 LYS A 524 -7.187 -0.512 12.068 1.00 72.34 H new ATOM 367 N VAL A 525 -3.604 -1.775 6.009 1.00 65.42 N ATOM 368 CA VAL A 525 -3.540 -2.535 4.776 1.00 52.31 C ATOM 369 C VAL A 525 -4.597 -3.609 4.852 1.00 34.44 C ATOM 370 O VAL A 525 -4.729 -4.271 5.888 1.00 64.13 O ATOM 371 CB VAL A 525 -2.167 -3.216 4.591 1.00 11.21 C ATOM 372 CG1 VAL A 525 -2.000 -3.763 3.178 1.00 44.42 C ATOM 373 CG2 VAL A 525 -1.056 -2.275 4.937 1.00 54.34 C ATOM 0 H VAL A 525 -3.352 -2.314 6.837 1.00 65.42 H new ATOM 0 HA VAL A 525 -3.696 -1.858 3.936 1.00 52.31 H new ATOM 0 HB VAL A 525 -2.122 -4.062 5.276 1.00 11.21 H new ATOM 0 HG11 VAL A 525 -1.022 -4.235 3.084 1.00 44.42 H new ATOM 0 HG12 VAL A 525 -2.779 -4.499 2.978 1.00 44.42 H new ATOM 0 HG13 VAL A 525 -2.079 -2.947 2.460 1.00 44.42 H new ATOM 0 HG21 VAL A 525 -0.098 -2.777 4.799 1.00 54.34 H new ATOM 0 HG22 VAL A 525 -1.104 -1.401 4.288 1.00 54.34 H new ATOM 0 HG23 VAL A 525 -1.155 -1.961 5.976 1.00 54.34 H new ATOM 383 N LEU A 526 -5.332 -3.785 3.786 1.00 25.01 N ATOM 384 CA LEU A 526 -6.430 -4.715 3.777 1.00 51.41 C ATOM 385 C LEU A 526 -5.955 -6.127 3.521 1.00 5.50 C ATOM 386 O LEU A 526 -4.933 -6.354 2.862 1.00 25.03 O ATOM 387 CB LEU A 526 -7.550 -4.301 2.793 1.00 32.04 C ATOM 388 CG LEU A 526 -8.305 -2.976 3.092 1.00 61.11 C ATOM 389 CD1 LEU A 526 -8.884 -2.951 4.484 1.00 24.24 C ATOM 390 CD2 LEU A 526 -7.434 -1.783 2.887 1.00 5.31 C ATOM 0 H LEU A 526 -5.188 -3.291 2.905 1.00 25.01 H new ATOM 0 HA LEU A 526 -6.871 -4.690 4.774 1.00 51.41 H new ATOM 0 HB2 LEU A 526 -7.113 -4.223 1.797 1.00 32.04 H new ATOM 0 HB3 LEU A 526 -8.283 -5.107 2.757 1.00 32.04 H new ATOM 0 HG LEU A 526 -9.129 -2.933 2.379 1.00 61.11 H new ATOM 0 HD11 LEU A 526 -9.402 -2.006 4.646 1.00 24.24 H new ATOM 0 HD12 LEU A 526 -9.588 -3.775 4.600 1.00 24.24 H new ATOM 0 HD13 LEU A 526 -8.081 -3.055 5.214 1.00 24.24 H new ATOM 0 HD21 LEU A 526 -8.000 -0.877 3.107 1.00 5.31 H new ATOM 0 HD22 LEU A 526 -6.573 -1.843 3.552 1.00 5.31 H new ATOM 0 HD23 LEU A 526 -7.092 -1.755 1.852 1.00 5.31 H new ATOM 402 N ARG A 527 -6.694 -7.049 4.048 1.00 50.41 N ATOM 403 CA ARG A 527 -6.369 -8.445 4.020 1.00 63.55 C ATOM 404 C ARG A 527 -7.121 -9.143 2.898 1.00 31.14 C ATOM 405 O ARG A 527 -8.273 -8.807 2.608 1.00 2.32 O ATOM 406 CB ARG A 527 -6.776 -9.019 5.364 1.00 31.21 C ATOM 407 CG ARG A 527 -6.518 -10.490 5.614 1.00 15.32 C ATOM 408 CD ARG A 527 -7.157 -10.853 6.937 1.00 3.54 C ATOM 409 NE ARG A 527 -6.992 -12.256 7.328 1.00 20.25 N ATOM 410 CZ ARG A 527 -8.023 -13.127 7.444 1.00 52.25 C ATOM 411 NH1 ARG A 527 -9.228 -12.800 6.992 1.00 35.41 N ATOM 412 NH2 ARG A 527 -7.839 -14.312 7.990 1.00 2.32 N ATOM 0 H ARG A 527 -7.572 -6.847 4.527 1.00 50.41 H new ATOM 0 HA ARG A 527 -5.304 -8.592 3.840 1.00 63.55 H new ATOM 0 HB2 ARG A 527 -6.260 -8.453 6.139 1.00 31.21 H new ATOM 0 HB3 ARG A 527 -7.843 -8.840 5.495 1.00 31.21 H new ATOM 0 HG2 ARG A 527 -6.937 -11.094 4.809 1.00 15.32 H new ATOM 0 HG3 ARG A 527 -5.447 -10.691 5.639 1.00 15.32 H new ATOM 0 HD2 ARG A 527 -6.733 -10.220 7.716 1.00 3.54 H new ATOM 0 HD3 ARG A 527 -8.222 -10.626 6.886 1.00 3.54 H new ATOM 0 HE ARG A 527 -6.050 -12.595 7.523 1.00 20.25 H new ATOM 0 HH11 ARG A 527 -9.380 -11.891 6.556 1.00 35.41 H new ATOM 0 HH12 ARG A 527 -10.002 -13.458 7.081 1.00 35.41 H new ATOM 0 HH21 ARG A 527 -6.915 -14.579 8.329 1.00 2.32 H new ATOM 0 HH22 ARG A 527 -8.621 -14.962 8.074 1.00 2.32 H new ATOM 426 N THR A 528 -6.461 -10.098 2.282 1.00 54.41 N ATOM 427 CA THR A 528 -7.032 -10.902 1.232 1.00 54.33 C ATOM 428 C THR A 528 -8.284 -11.662 1.691 1.00 75.24 C ATOM 429 O THR A 528 -8.436 -12.001 2.873 1.00 14.53 O ATOM 430 CB THR A 528 -5.982 -11.909 0.661 1.00 45.20 C ATOM 431 OG1 THR A 528 -6.600 -12.772 -0.296 1.00 54.55 O ATOM 432 CG2 THR A 528 -5.356 -12.752 1.765 1.00 43.22 C ATOM 0 H THR A 528 -5.495 -10.340 2.503 1.00 54.41 H new ATOM 0 HA THR A 528 -7.332 -10.211 0.444 1.00 54.33 H new ATOM 0 HB THR A 528 -5.194 -11.326 0.183 1.00 45.20 H new ATOM 0 HG1 THR A 528 -6.070 -13.591 -0.388 1.00 54.55 H new ATOM 0 HG21 THR A 528 -4.631 -13.440 1.330 1.00 43.22 H new ATOM 0 HG22 THR A 528 -4.854 -12.100 2.480 1.00 43.22 H new ATOM 0 HG23 THR A 528 -6.134 -13.319 2.275 1.00 43.22 H new ATOM 440 N SER A 529 -9.166 -11.916 0.744 1.00 14.23 N ATOM 441 CA SER A 529 -10.362 -12.681 0.969 1.00 12.25 C ATOM 442 C SER A 529 -9.993 -14.177 1.007 1.00 10.14 C ATOM 443 O SER A 529 -10.735 -15.000 1.533 1.00 62.12 O ATOM 444 CB SER A 529 -11.368 -12.383 -0.167 1.00 35.35 C ATOM 445 OG SER A 529 -12.607 -13.055 0.010 1.00 1.45 O ATOM 0 H SER A 529 -9.064 -11.588 -0.216 1.00 14.23 H new ATOM 0 HA SER A 529 -10.823 -12.412 1.919 1.00 12.25 H new ATOM 0 HB2 SER A 529 -11.546 -11.309 -0.217 1.00 35.35 H new ATOM 0 HB3 SER A 529 -10.931 -12.679 -1.121 1.00 35.35 H new ATOM 0 HG SER A 529 -13.208 -12.834 -0.732 1.00 1.45 H new ATOM 451 N GLY A 530 -8.816 -14.498 0.479 1.00 3.21 N ATOM 452 CA GLY A 530 -8.345 -15.861 0.453 1.00 33.45 C ATOM 453 C GLY A 530 -7.189 -16.058 1.403 1.00 54.23 C ATOM 454 O GLY A 530 -6.122 -16.555 1.022 1.00 63.15 O ATOM 0 H GLY A 530 -8.175 -13.822 0.064 1.00 3.21 H new ATOM 0 HA2 GLY A 530 -9.159 -16.535 0.722 1.00 33.45 H new ATOM 0 HA3 GLY A 530 -8.036 -16.122 -0.559 1.00 33.45 H new ATOM 458 N ALA A 531 -7.388 -15.662 2.636 1.00 73.24 N ATOM 459 CA ALA A 531 -6.372 -15.778 3.642 1.00 10.43 C ATOM 460 C ALA A 531 -6.373 -17.176 4.205 1.00 65.42 C ATOM 461 O ALA A 531 -7.154 -17.511 5.089 1.00 24.32 O ATOM 462 CB ALA A 531 -6.562 -14.745 4.734 1.00 23.11 C ATOM 0 H ALA A 531 -8.261 -15.250 2.966 1.00 73.24 H new ATOM 0 HA ALA A 531 -5.401 -15.586 3.185 1.00 10.43 H new ATOM 0 HB1 ALA A 531 -5.777 -14.858 5.482 1.00 23.11 H new ATOM 0 HB2 ALA A 531 -6.511 -13.745 4.302 1.00 23.11 H new ATOM 0 HB3 ALA A 531 -7.535 -14.888 5.205 1.00 23.11 H new ATOM 468 N ARG A 532 -5.558 -17.998 3.620 1.00 44.20 N ATOM 469 CA ARG A 532 -5.419 -19.370 4.001 1.00 3.43 C ATOM 470 C ARG A 532 -3.967 -19.782 4.121 1.00 15.41 C ATOM 471 O ARG A 532 -3.636 -20.961 4.100 1.00 65.00 O ATOM 472 CB ARG A 532 -6.223 -20.261 3.059 1.00 52.34 C ATOM 473 CG ARG A 532 -6.109 -19.956 1.586 1.00 40.03 C ATOM 474 CD ARG A 532 -4.692 -20.079 1.100 1.00 20.13 C ATOM 475 NE ARG A 532 -4.586 -20.056 -0.356 1.00 24.04 N ATOM 476 CZ ARG A 532 -3.458 -20.257 -1.051 1.00 24.12 C ATOM 477 NH1 ARG A 532 -2.343 -20.597 -0.439 1.00 13.35 N ATOM 478 NH2 ARG A 532 -3.466 -20.150 -2.367 1.00 33.44 N ATOM 0 H ARG A 532 -4.955 -17.726 2.844 1.00 44.20 H new ATOM 0 HA ARG A 532 -5.835 -19.498 5.000 1.00 3.43 H new ATOM 0 HB2 ARG A 532 -5.914 -21.294 3.219 1.00 52.34 H new ATOM 0 HB3 ARG A 532 -7.274 -20.196 3.341 1.00 52.34 H new ATOM 0 HG2 ARG A 532 -6.747 -20.637 1.023 1.00 40.03 H new ATOM 0 HG3 ARG A 532 -6.473 -18.947 1.394 1.00 40.03 H new ATOM 0 HD2 ARG A 532 -4.099 -19.264 1.515 1.00 20.13 H new ATOM 0 HD3 ARG A 532 -4.264 -21.008 1.476 1.00 20.13 H new ATOM 0 HE ARG A 532 -5.438 -19.872 -0.886 1.00 24.04 H new ATOM 0 HH11 ARG A 532 -2.332 -20.710 0.575 1.00 13.35 H new ATOM 0 HH12 ARG A 532 -1.491 -20.747 -0.979 1.00 13.35 H new ATOM 0 HH21 ARG A 532 -4.331 -19.914 -2.854 1.00 33.44 H new ATOM 0 HH22 ARG A 532 -2.608 -20.303 -2.896 1.00 33.44 H new ATOM 492 N GLY A 533 -3.117 -18.800 4.279 1.00 13.42 N ATOM 493 CA GLY A 533 -1.713 -19.040 4.359 1.00 63.03 C ATOM 494 C GLY A 533 -1.000 -17.752 4.607 1.00 25.40 C ATOM 495 O GLY A 533 -1.649 -16.705 4.714 1.00 24.10 O ATOM 0 H GLY A 533 -3.384 -17.819 4.355 1.00 13.42 H new ATOM 0 HA2 GLY A 533 -1.499 -19.746 5.161 1.00 63.03 H new ATOM 0 HA3 GLY A 533 -1.357 -19.492 3.433 1.00 63.03 H new ATOM 499 N ASN A 534 0.295 -17.811 4.692 1.00 35.24 N ATOM 500 CA ASN A 534 1.116 -16.650 4.944 1.00 11.34 C ATOM 501 C ASN A 534 1.522 -16.007 3.636 1.00 3.03 C ATOM 502 O ASN A 534 2.046 -16.664 2.745 1.00 74.15 O ATOM 503 CB ASN A 534 2.351 -17.051 5.773 1.00 20.24 C ATOM 504 CG ASN A 534 3.349 -15.914 6.074 1.00 11.45 C ATOM 505 OD1 ASN A 534 4.545 -16.156 6.225 1.00 32.11 O ATOM 506 ND2 ASN A 534 2.892 -14.696 6.204 1.00 64.43 N ATOM 0 H ASN A 534 0.825 -18.676 4.588 1.00 35.24 H new ATOM 0 HA ASN A 534 0.543 -15.920 5.516 1.00 11.34 H new ATOM 0 HB2 ASN A 534 2.010 -17.471 6.719 1.00 20.24 H new ATOM 0 HB3 ASN A 534 2.880 -17.844 5.244 1.00 20.24 H new ATOM 0 HD21 ASN A 534 3.530 -13.934 6.433 1.00 64.43 H new ATOM 0 HD22 ASN A 534 1.898 -14.508 6.076 1.00 64.43 H new ATOM 513 N VAL A 535 1.229 -14.749 3.513 1.00 72.10 N ATOM 514 CA VAL A 535 1.595 -13.974 2.372 1.00 72.22 C ATOM 515 C VAL A 535 2.388 -12.795 2.861 1.00 3.22 C ATOM 516 O VAL A 535 1.973 -12.098 3.795 1.00 63.02 O ATOM 517 CB VAL A 535 0.359 -13.473 1.576 1.00 63.44 C ATOM 518 CG1 VAL A 535 0.788 -12.675 0.355 1.00 14.51 C ATOM 519 CG2 VAL A 535 -0.501 -14.634 1.147 1.00 54.00 C ATOM 0 H VAL A 535 0.717 -14.222 4.221 1.00 72.10 H new ATOM 0 HA VAL A 535 2.176 -14.599 1.694 1.00 72.22 H new ATOM 0 HB VAL A 535 -0.220 -12.824 2.233 1.00 63.44 H new ATOM 0 HG11 VAL A 535 -0.095 -12.335 -0.186 1.00 14.51 H new ATOM 0 HG12 VAL A 535 1.374 -11.812 0.672 1.00 14.51 H new ATOM 0 HG13 VAL A 535 1.393 -13.305 -0.297 1.00 14.51 H new ATOM 0 HG21 VAL A 535 -1.362 -14.263 0.591 1.00 54.00 H new ATOM 0 HG22 VAL A 535 0.081 -15.303 0.512 1.00 54.00 H new ATOM 0 HG23 VAL A 535 -0.844 -15.177 2.027 1.00 54.00 H new ATOM 529 N ILE A 536 3.522 -12.600 2.290 1.00 12.33 N ATOM 530 CA ILE A 536 4.361 -11.509 2.668 1.00 51.22 C ATOM 531 C ILE A 536 4.193 -10.381 1.680 1.00 2.33 C ATOM 532 O ILE A 536 4.109 -10.616 0.467 1.00 72.21 O ATOM 533 CB ILE A 536 5.848 -11.941 2.781 1.00 14.45 C ATOM 534 CG1 ILE A 536 6.017 -13.012 3.855 1.00 60.52 C ATOM 535 CG2 ILE A 536 6.734 -10.766 3.086 1.00 24.21 C ATOM 536 CD1 ILE A 536 5.550 -12.574 5.223 1.00 21.40 C ATOM 0 H ILE A 536 3.899 -13.189 1.547 1.00 12.33 H new ATOM 0 HA ILE A 536 4.059 -11.164 3.657 1.00 51.22 H new ATOM 0 HB ILE A 536 6.145 -12.355 1.818 1.00 14.45 H new ATOM 0 HG12 ILE A 536 5.463 -13.903 3.559 1.00 60.52 H new ATOM 0 HG13 ILE A 536 7.068 -13.295 3.912 1.00 60.52 H new ATOM 0 HG21 ILE A 536 7.769 -11.100 3.159 1.00 24.21 H new ATOM 0 HG22 ILE A 536 6.646 -10.028 2.289 1.00 24.21 H new ATOM 0 HG23 ILE A 536 6.430 -10.317 4.032 1.00 24.21 H new ATOM 0 HD11 ILE A 536 5.700 -13.385 5.936 1.00 21.40 H new ATOM 0 HD12 ILE A 536 6.121 -11.702 5.540 1.00 21.40 H new ATOM 0 HD13 ILE A 536 4.491 -12.319 5.182 1.00 21.40 H new ATOM 548 N VAL A 537 4.081 -9.183 2.190 1.00 72.30 N ATOM 549 CA VAL A 537 3.911 -8.020 1.355 1.00 35.03 C ATOM 550 C VAL A 537 5.073 -7.041 1.591 1.00 4.22 C ATOM 551 O VAL A 537 5.179 -6.459 2.666 1.00 65.24 O ATOM 552 CB VAL A 537 2.562 -7.295 1.639 1.00 54.10 C ATOM 553 CG1 VAL A 537 2.353 -6.134 0.678 1.00 65.21 C ATOM 554 CG2 VAL A 537 1.385 -8.262 1.573 1.00 54.54 C ATOM 0 H VAL A 537 4.105 -8.985 3.190 1.00 72.30 H new ATOM 0 HA VAL A 537 3.902 -8.355 0.318 1.00 35.03 H new ATOM 0 HB VAL A 537 2.613 -6.897 2.652 1.00 54.10 H new ATOM 0 HG11 VAL A 537 1.404 -5.646 0.898 1.00 65.21 H new ATOM 0 HG12 VAL A 537 3.166 -5.416 0.792 1.00 65.21 H new ATOM 0 HG13 VAL A 537 2.340 -6.507 -0.346 1.00 65.21 H new ATOM 0 HG21 VAL A 537 0.460 -7.723 1.776 1.00 54.54 H new ATOM 0 HG22 VAL A 537 1.335 -8.707 0.579 1.00 54.54 H new ATOM 0 HG23 VAL A 537 1.518 -9.048 2.316 1.00 54.54 H new ATOM 564 N PRO A 538 5.977 -6.886 0.622 1.00 43.20 N ATOM 565 CA PRO A 538 7.099 -5.954 0.745 1.00 10.12 C ATOM 566 C PRO A 538 6.642 -4.493 0.594 1.00 33.15 C ATOM 567 O PRO A 538 5.750 -4.199 -0.192 1.00 54.34 O ATOM 568 CB PRO A 538 8.025 -6.352 -0.410 1.00 31.13 C ATOM 569 CG PRO A 538 7.140 -7.002 -1.419 1.00 45.15 C ATOM 570 CD PRO A 538 5.985 -7.607 -0.667 1.00 72.00 C ATOM 0 HA PRO A 538 7.579 -6.010 1.722 1.00 10.12 H new ATOM 0 HB2 PRO A 538 8.526 -5.480 -0.830 1.00 31.13 H new ATOM 0 HB3 PRO A 538 8.804 -7.035 -0.072 1.00 31.13 H new ATOM 0 HG2 PRO A 538 6.786 -6.273 -2.148 1.00 45.15 H new ATOM 0 HG3 PRO A 538 7.684 -7.768 -1.972 1.00 45.15 H new ATOM 0 HD2 PRO A 538 5.046 -7.474 -1.204 1.00 72.00 H new ATOM 0 HD3 PRO A 538 6.121 -8.679 -0.523 1.00 72.00 H new ATOM 578 N TYR A 539 7.246 -3.592 1.341 1.00 22.14 N ATOM 579 CA TYR A 539 6.886 -2.180 1.278 1.00 52.12 C ATOM 580 C TYR A 539 8.122 -1.334 1.460 1.00 13.31 C ATOM 581 O TYR A 539 9.133 -1.830 1.989 1.00 41.51 O ATOM 582 CB TYR A 539 5.837 -1.814 2.349 1.00 30.11 C ATOM 583 CG TYR A 539 6.329 -1.869 3.788 1.00 41.32 C ATOM 584 CD1 TYR A 539 6.322 -3.053 4.493 1.00 13.24 C ATOM 585 CD2 TYR A 539 6.782 -0.719 4.437 1.00 63.13 C ATOM 586 CE1 TYR A 539 6.750 -3.106 5.798 1.00 61.53 C ATOM 587 CE2 TYR A 539 7.216 -0.762 5.744 1.00 74.11 C ATOM 588 CZ TYR A 539 7.198 -1.960 6.422 1.00 5.30 C ATOM 589 OH TYR A 539 7.629 -2.017 7.729 1.00 21.13 O ATOM 0 H TYR A 539 7.992 -3.808 2.003 1.00 22.14 H new ATOM 0 HA TYR A 539 6.446 -1.986 0.300 1.00 52.12 H new ATOM 0 HB2 TYR A 539 5.471 -0.808 2.146 1.00 30.11 H new ATOM 0 HB3 TYR A 539 4.987 -2.489 2.247 1.00 30.11 H new ATOM 0 HD1 TYR A 539 5.974 -3.955 4.012 1.00 13.24 H new ATOM 0 HD2 TYR A 539 6.792 0.221 3.905 1.00 63.13 H new ATOM 0 HE1 TYR A 539 6.736 -4.043 6.334 1.00 61.53 H new ATOM 0 HE2 TYR A 539 7.567 0.135 6.232 1.00 74.11 H new ATOM 0 HH TYR A 539 7.913 -1.125 8.019 1.00 21.13 H new ATOM 599 N LYS A 540 8.049 -0.082 1.046 1.00 23.35 N ATOM 600 CA LYS A 540 9.161 0.840 1.164 1.00 70.42 C ATOM 601 C LYS A 540 8.671 2.288 1.069 1.00 4.24 C ATOM 602 O LYS A 540 7.553 2.539 0.588 1.00 45.43 O ATOM 603 CB LYS A 540 10.179 0.567 0.061 1.00 15.02 C ATOM 604 CG LYS A 540 9.624 0.746 -1.333 1.00 22.24 C ATOM 605 CD LYS A 540 10.675 0.496 -2.370 1.00 1.20 C ATOM 606 CE LYS A 540 10.124 0.740 -3.749 1.00 61.32 C ATOM 607 NZ LYS A 540 11.128 0.518 -4.806 1.00 42.41 N ATOM 0 H LYS A 540 7.216 0.323 0.619 1.00 23.35 H new ATOM 0 HA LYS A 540 9.632 0.694 2.136 1.00 70.42 H new ATOM 0 HB2 LYS A 540 11.031 1.234 0.192 1.00 15.02 H new ATOM 0 HB3 LYS A 540 10.552 -0.452 0.166 1.00 15.02 H new ATOM 0 HG2 LYS A 540 8.789 0.062 -1.485 1.00 22.24 H new ATOM 0 HG3 LYS A 540 9.233 1.757 -1.444 1.00 22.24 H new ATOM 0 HD2 LYS A 540 11.531 1.148 -2.193 1.00 1.20 H new ATOM 0 HD3 LYS A 540 11.034 -0.530 -2.292 1.00 1.20 H new ATOM 0 HE2 LYS A 540 9.272 0.082 -3.918 1.00 61.32 H new ATOM 0 HE3 LYS A 540 9.754 1.763 -3.813 1.00 61.32 H new ATOM 0 HZ1 LYS A 540 10.699 0.699 -5.736 1.00 42.41 H new ATOM 0 HZ2 LYS A 540 11.931 1.164 -4.663 1.00 42.41 H new ATOM 0 HZ3 LYS A 540 11.463 -0.466 -4.765 1.00 42.41 H new ATOM 621 N THR A 541 9.486 3.210 1.547 1.00 71.43 N ATOM 622 CA THR A 541 9.205 4.630 1.470 1.00 14.11 C ATOM 623 C THR A 541 9.972 5.295 0.316 1.00 53.24 C ATOM 624 O THR A 541 11.199 5.452 0.371 1.00 35.32 O ATOM 625 CB THR A 541 9.564 5.343 2.797 1.00 61.42 C ATOM 626 OG1 THR A 541 10.783 4.804 3.347 1.00 14.44 O ATOM 627 CG2 THR A 541 8.467 5.226 3.828 1.00 52.10 C ATOM 0 H THR A 541 10.371 2.991 2.004 1.00 71.43 H new ATOM 0 HA THR A 541 8.135 4.730 1.286 1.00 14.11 H new ATOM 0 HB THR A 541 9.695 6.398 2.557 1.00 61.42 H new ATOM 0 HG1 THR A 541 11.511 4.917 2.701 1.00 14.44 H new ATOM 0 HG21 THR A 541 8.768 5.742 4.740 1.00 52.10 H new ATOM 0 HG22 THR A 541 7.554 5.677 3.440 1.00 52.10 H new ATOM 0 HG23 THR A 541 8.287 4.174 4.049 1.00 52.10 H new ATOM 635 N ILE A 542 9.266 5.662 -0.716 1.00 54.24 N ATOM 636 CA ILE A 542 9.865 6.335 -1.853 1.00 20.43 C ATOM 637 C ILE A 542 9.992 7.808 -1.494 1.00 33.54 C ATOM 638 O ILE A 542 9.010 8.410 -1.061 1.00 21.31 O ATOM 639 CB ILE A 542 9.008 6.210 -3.172 1.00 23.35 C ATOM 640 CG1 ILE A 542 8.801 4.750 -3.643 1.00 73.23 C ATOM 641 CG2 ILE A 542 9.614 7.029 -4.304 1.00 52.11 C ATOM 642 CD1 ILE A 542 7.809 3.942 -2.836 1.00 74.21 C ATOM 0 H ILE A 542 8.261 5.508 -0.801 1.00 54.24 H new ATOM 0 HA ILE A 542 10.828 5.866 -2.056 1.00 20.43 H new ATOM 0 HB ILE A 542 8.026 6.607 -2.915 1.00 23.35 H new ATOM 0 HG12 ILE A 542 8.472 4.765 -4.682 1.00 73.23 H new ATOM 0 HG13 ILE A 542 9.764 4.239 -3.621 1.00 73.23 H new ATOM 0 HG21 ILE A 542 9.001 6.922 -5.199 1.00 52.11 H new ATOM 0 HG22 ILE A 542 9.652 8.079 -4.013 1.00 52.11 H new ATOM 0 HG23 ILE A 542 10.623 6.673 -4.511 1.00 52.11 H new ATOM 0 HD11 ILE A 542 7.738 2.936 -3.248 1.00 74.21 H new ATOM 0 HD12 ILE A 542 8.142 3.887 -1.800 1.00 74.21 H new ATOM 0 HD13 ILE A 542 6.831 4.421 -2.878 1.00 74.21 H new ATOM 654 N GLU A 543 11.184 8.368 -1.655 1.00 33.13 N ATOM 655 CA GLU A 543 11.438 9.765 -1.315 1.00 14.42 C ATOM 656 C GLU A 543 10.613 10.701 -2.183 1.00 11.44 C ATOM 657 O GLU A 543 9.770 11.448 -1.672 1.00 51.03 O ATOM 658 CB GLU A 543 12.924 10.103 -1.442 1.00 64.31 C ATOM 659 CG GLU A 543 13.813 9.303 -0.521 1.00 1.43 C ATOM 660 CD GLU A 543 15.265 9.689 -0.618 1.00 24.23 C ATOM 661 OE1 GLU A 543 15.998 9.093 -1.440 1.00 13.31 O ATOM 662 OE2 GLU A 543 15.712 10.561 0.146 1.00 72.51 O ATOM 0 H GLU A 543 11.997 7.873 -2.022 1.00 33.13 H new ATOM 0 HA GLU A 543 11.139 9.906 -0.276 1.00 14.42 H new ATOM 0 HB2 GLU A 543 13.238 9.934 -2.472 1.00 64.31 H new ATOM 0 HB3 GLU A 543 13.064 11.164 -1.236 1.00 64.31 H new ATOM 0 HG2 GLU A 543 13.476 9.437 0.507 1.00 1.43 H new ATOM 0 HG3 GLU A 543 13.709 8.244 -0.755 1.00 1.43 H new ATOM 669 N GLY A 544 10.864 10.667 -3.488 1.00 44.43 N ATOM 670 CA GLY A 544 10.132 11.494 -4.431 1.00 75.40 C ATOM 671 C GLY A 544 10.528 12.954 -4.340 1.00 62.51 C ATOM 672 O GLY A 544 11.198 13.486 -5.220 1.00 50.12 O ATOM 0 H GLY A 544 11.573 10.071 -3.915 1.00 44.43 H new ATOM 0 HA2 GLY A 544 10.312 11.133 -5.444 1.00 75.40 H new ATOM 0 HA3 GLY A 544 9.063 11.397 -4.243 1.00 75.40 H new ATOM 676 N THR A 545 10.109 13.585 -3.286 1.00 20.04 N ATOM 677 CA THR A 545 10.424 14.957 -3.031 1.00 1.32 C ATOM 678 C THR A 545 10.759 15.159 -1.539 1.00 71.10 C ATOM 679 O THR A 545 11.074 16.269 -1.102 1.00 40.41 O ATOM 680 CB THR A 545 9.272 15.894 -3.501 1.00 4.31 C ATOM 681 OG1 THR A 545 9.552 17.276 -3.195 1.00 21.45 O ATOM 682 CG2 THR A 545 7.947 15.486 -2.889 1.00 3.02 C ATOM 0 H THR A 545 9.529 13.153 -2.567 1.00 20.04 H new ATOM 0 HA THR A 545 11.307 15.226 -3.610 1.00 1.32 H new ATOM 0 HB THR A 545 9.202 15.791 -4.584 1.00 4.31 H new ATOM 0 HG1 THR A 545 10.111 17.326 -2.391 1.00 21.45 H new ATOM 0 HG21 THR A 545 7.163 16.159 -3.236 1.00 3.02 H new ATOM 0 HG22 THR A 545 7.707 14.465 -3.187 1.00 3.02 H new ATOM 0 HG23 THR A 545 8.016 15.540 -1.803 1.00 3.02 H new ATOM 690 N ALA A 546 10.662 14.092 -0.764 1.00 20.31 N ATOM 691 CA ALA A 546 11.055 14.120 0.615 1.00 31.33 C ATOM 692 C ALA A 546 12.481 13.592 0.735 1.00 70.21 C ATOM 693 O ALA A 546 13.038 13.082 -0.237 1.00 21.24 O ATOM 694 CB ALA A 546 10.103 13.293 1.445 1.00 52.22 C ATOM 0 H ALA A 546 10.308 13.190 -1.082 1.00 20.31 H new ATOM 0 HA ALA A 546 11.021 15.144 0.988 1.00 31.33 H new ATOM 0 HB1 ALA A 546 10.412 13.322 2.490 1.00 52.22 H new ATOM 0 HB2 ALA A 546 9.095 13.697 1.353 1.00 52.22 H new ATOM 0 HB3 ALA A 546 10.114 12.262 1.092 1.00 52.22 H new ATOM 700 N ARG A 547 13.065 13.714 1.895 1.00 33.30 N ATOM 701 CA ARG A 547 14.426 13.284 2.098 1.00 33.13 C ATOM 702 C ARG A 547 14.437 12.127 3.110 1.00 30.13 C ATOM 703 O ARG A 547 14.100 12.314 4.301 1.00 13.33 O ATOM 704 CB ARG A 547 15.237 14.471 2.617 1.00 73.32 C ATOM 705 CG ARG A 547 16.704 14.470 2.242 1.00 44.23 C ATOM 706 CD ARG A 547 16.882 14.605 0.747 1.00 54.35 C ATOM 707 NE ARG A 547 18.270 14.882 0.381 1.00 44.42 N ATOM 708 CZ ARG A 547 18.664 15.860 -0.452 1.00 12.14 C ATOM 709 NH1 ARG A 547 17.770 16.642 -1.059 1.00 4.52 N ATOM 710 NH2 ARG A 547 19.942 16.045 -0.682 1.00 4.42 N ATOM 0 H ARG A 547 12.618 14.110 2.722 1.00 33.30 H new ATOM 0 HA ARG A 547 14.868 12.933 1.165 1.00 33.13 H new ATOM 0 HB2 ARG A 547 14.785 15.389 2.243 1.00 73.32 H new ATOM 0 HB3 ARG A 547 15.157 14.496 3.704 1.00 73.32 H new ATOM 0 HG2 ARG A 547 17.213 15.291 2.748 1.00 44.23 H new ATOM 0 HG3 ARG A 547 17.170 13.546 2.585 1.00 44.23 H new ATOM 0 HD2 ARG A 547 16.555 13.687 0.259 1.00 54.35 H new ATOM 0 HD3 ARG A 547 16.243 15.407 0.377 1.00 54.35 H new ATOM 0 HE ARG A 547 18.993 14.289 0.788 1.00 44.42 H new ATOM 0 HH11 ARG A 547 16.773 16.501 -0.893 1.00 4.52 H new ATOM 0 HH12 ARG A 547 18.083 17.381 -1.689 1.00 4.52 H new ATOM 0 HH21 ARG A 547 20.633 15.447 -0.229 1.00 4.42 H new ATOM 0 HH22 ARG A 547 20.244 16.786 -1.314 1.00 4.42 H new ATOM 724 N GLY A 548 14.785 10.947 2.646 1.00 51.22 N ATOM 725 CA GLY A 548 14.755 9.769 3.484 1.00 20.35 C ATOM 726 C GLY A 548 16.083 9.439 4.095 1.00 52.35 C ATOM 727 O GLY A 548 17.107 9.984 3.695 1.00 25.41 O ATOM 0 H GLY A 548 15.093 10.778 1.689 1.00 51.22 H new ATOM 0 HA2 GLY A 548 14.024 9.916 4.279 1.00 20.35 H new ATOM 0 HA3 GLY A 548 14.415 8.920 2.892 1.00 20.35 H new ATOM 731 N GLY A 549 16.063 8.551 5.066 1.00 23.25 N ATOM 732 CA GLY A 549 17.279 8.151 5.736 1.00 10.12 C ATOM 733 C GLY A 549 17.435 8.849 7.061 1.00 50.32 C ATOM 734 O GLY A 549 18.541 9.017 7.563 1.00 22.42 O ATOM 0 H GLY A 549 15.218 8.093 5.408 1.00 23.25 H new ATOM 0 HA2 GLY A 549 17.272 7.072 5.891 1.00 10.12 H new ATOM 0 HA3 GLY A 549 18.136 8.377 5.102 1.00 10.12 H new ATOM 738 N GLY A 550 16.317 9.290 7.619 1.00 33.33 N ATOM 739 CA GLY A 550 16.343 9.964 8.894 1.00 54.34 C ATOM 740 C GLY A 550 16.486 11.455 8.725 1.00 62.13 C ATOM 741 O GLY A 550 16.645 12.179 9.693 1.00 42.14 O ATOM 0 H GLY A 550 15.389 9.191 7.206 1.00 33.33 H new ATOM 0 HA2 GLY A 550 15.427 9.745 9.442 1.00 54.34 H new ATOM 0 HA3 GLY A 550 17.171 9.583 9.492 1.00 54.34 H new ATOM 745 N GLU A 551 16.429 11.905 7.483 1.00 12.33 N ATOM 746 CA GLU A 551 16.575 13.313 7.161 1.00 60.12 C ATOM 747 C GLU A 551 15.281 14.055 7.508 1.00 52.22 C ATOM 748 O GLU A 551 15.217 14.786 8.485 1.00 14.51 O ATOM 749 CB GLU A 551 16.842 13.468 5.671 1.00 23.12 C ATOM 750 CG GLU A 551 18.008 12.672 5.127 1.00 75.31 C ATOM 751 CD GLU A 551 19.350 13.152 5.596 1.00 74.30 C ATOM 752 OE1 GLU A 551 19.887 14.097 4.980 1.00 52.33 O ATOM 753 OE2 GLU A 551 19.918 12.558 6.536 1.00 52.51 O ATOM 0 H GLU A 551 16.280 11.305 6.671 1.00 12.33 H new ATOM 0 HA GLU A 551 17.405 13.727 7.733 1.00 60.12 H new ATOM 0 HB2 GLU A 551 15.943 13.178 5.127 1.00 23.12 H new ATOM 0 HB3 GLU A 551 17.016 14.523 5.460 1.00 23.12 H new ATOM 0 HG2 GLU A 551 17.887 11.628 5.415 1.00 75.31 H new ATOM 0 HG3 GLU A 551 17.982 12.708 4.038 1.00 75.31 H new ATOM 760 N ASP A 552 14.243 13.811 6.722 1.00 53.32 N ATOM 761 CA ASP A 552 12.939 14.429 6.962 1.00 1.11 C ATOM 762 C ASP A 552 11.996 13.329 7.397 1.00 23.00 C ATOM 763 O ASP A 552 11.033 13.546 8.125 1.00 12.44 O ATOM 764 CB ASP A 552 12.405 15.105 5.683 1.00 25.13 C ATOM 765 CG ASP A 552 11.671 16.420 5.954 1.00 60.11 C ATOM 766 OD1 ASP A 552 11.411 16.799 7.059 1.00 62.33 O ATOM 767 OD2 ASP A 552 11.429 17.231 5.059 1.00 10.42 O ATOM 0 H ASP A 552 14.274 13.191 5.913 1.00 53.32 H new ATOM 0 HA ASP A 552 13.024 15.200 7.728 1.00 1.11 H new ATOM 0 HB2 ASP A 552 13.238 15.295 5.006 1.00 25.13 H new ATOM 0 HB3 ASP A 552 11.729 14.419 5.173 1.00 25.13 H new ATOM 772 N PHE A 553 12.293 12.123 6.939 1.00 5.44 N ATOM 773 CA PHE A 553 11.565 10.959 7.352 1.00 23.14 C ATOM 774 C PHE A 553 12.527 9.806 7.510 1.00 2.23 C ATOM 775 O PHE A 553 13.627 9.801 6.904 1.00 20.03 O ATOM 776 CB PHE A 553 10.445 10.579 6.369 1.00 31.01 C ATOM 777 CG PHE A 553 10.880 9.992 5.042 1.00 50.42 C ATOM 778 CD1 PHE A 553 11.129 10.795 3.949 1.00 71.12 C ATOM 779 CD2 PHE A 553 10.994 8.623 4.893 1.00 2.52 C ATOM 780 CE1 PHE A 553 11.478 10.242 2.730 1.00 64.12 C ATOM 781 CE2 PHE A 553 11.354 8.067 3.687 1.00 33.04 C ATOM 782 CZ PHE A 553 11.591 8.875 2.602 1.00 72.32 C ATOM 0 H PHE A 553 13.044 11.936 6.274 1.00 5.44 H new ATOM 0 HA PHE A 553 11.084 11.189 8.303 1.00 23.14 H new ATOM 0 HB2 PHE A 553 9.789 9.861 6.861 1.00 31.01 H new ATOM 0 HB3 PHE A 553 9.850 11.470 6.169 1.00 31.01 H new ATOM 0 HD1 PHE A 553 11.051 11.868 4.046 1.00 71.12 H new ATOM 0 HD2 PHE A 553 10.797 7.979 5.737 1.00 2.52 H new ATOM 0 HE1 PHE A 553 11.662 10.881 1.879 1.00 64.12 H new ATOM 0 HE2 PHE A 553 11.450 6.995 3.594 1.00 33.04 H new ATOM 0 HZ PHE A 553 11.865 8.440 1.652 1.00 72.32 H new ATOM 792 N GLU A 554 12.143 8.853 8.298 1.00 61.02 N ATOM 793 CA GLU A 554 12.926 7.682 8.523 1.00 0.42 C ATOM 794 C GLU A 554 12.483 6.658 7.465 1.00 50.43 C ATOM 795 O GLU A 554 11.285 6.369 7.337 1.00 4.33 O ATOM 796 CB GLU A 554 12.630 7.210 9.944 1.00 45.11 C ATOM 797 CG GLU A 554 13.648 6.294 10.592 1.00 74.14 C ATOM 798 CD GLU A 554 13.831 4.998 9.884 1.00 24.34 C ATOM 799 OE1 GLU A 554 13.039 4.075 10.129 1.00 74.21 O ATOM 800 OE2 GLU A 554 14.753 4.892 9.063 1.00 3.31 O ATOM 0 H GLU A 554 11.262 8.868 8.811 1.00 61.02 H new ATOM 0 HA GLU A 554 14.000 7.843 8.434 1.00 0.42 H new ATOM 0 HB2 GLU A 554 12.516 8.091 10.576 1.00 45.11 H new ATOM 0 HB3 GLU A 554 11.669 6.696 9.937 1.00 45.11 H new ATOM 0 HG2 GLU A 554 14.607 6.809 10.640 1.00 74.14 H new ATOM 0 HG3 GLU A 554 13.342 6.095 11.619 1.00 74.14 H new ATOM 807 N ASP A 555 13.434 6.127 6.726 1.00 41.41 N ATOM 808 CA ASP A 555 13.146 5.252 5.586 1.00 13.10 C ATOM 809 C ASP A 555 12.810 3.852 6.027 1.00 24.21 C ATOM 810 O ASP A 555 13.671 3.124 6.525 1.00 61.34 O ATOM 811 CB ASP A 555 14.328 5.213 4.608 1.00 74.23 C ATOM 812 CG ASP A 555 14.103 4.242 3.458 1.00 74.22 C ATOM 813 OD1 ASP A 555 13.371 4.590 2.525 1.00 31.42 O ATOM 814 OD2 ASP A 555 14.688 3.139 3.456 1.00 43.40 O ATOM 0 H ASP A 555 14.429 6.283 6.890 1.00 41.41 H new ATOM 0 HA ASP A 555 12.277 5.671 5.079 1.00 13.10 H new ATOM 0 HB2 ASP A 555 14.497 6.213 4.207 1.00 74.23 H new ATOM 0 HB3 ASP A 555 15.232 4.929 5.147 1.00 74.23 H new ATOM 819 N THR A 556 11.584 3.469 5.835 1.00 12.20 N ATOM 820 CA THR A 556 11.163 2.173 6.229 1.00 3.01 C ATOM 821 C THR A 556 10.909 1.315 5.006 1.00 73.54 C ATOM 822 O THR A 556 10.150 1.672 4.093 1.00 12.42 O ATOM 823 CB THR A 556 9.934 2.187 7.197 1.00 71.41 C ATOM 824 OG1 THR A 556 9.610 0.860 7.653 1.00 75.44 O ATOM 825 CG2 THR A 556 8.710 2.809 6.562 1.00 65.13 C ATOM 0 H THR A 556 10.860 4.044 5.405 1.00 12.20 H new ATOM 0 HA THR A 556 11.976 1.732 6.806 1.00 3.01 H new ATOM 0 HB THR A 556 10.227 2.800 8.049 1.00 71.41 H new ATOM 0 HG1 THR A 556 8.839 0.901 8.257 1.00 75.44 H new ATOM 0 HG21 THR A 556 7.884 2.795 7.273 1.00 65.13 H new ATOM 0 HG22 THR A 556 8.930 3.839 6.281 1.00 65.13 H new ATOM 0 HG23 THR A 556 8.433 2.242 5.674 1.00 65.13 H new ATOM 833 N CYS A 557 11.589 0.235 4.967 1.00 1.44 N ATOM 834 CA CYS A 557 11.472 -0.719 3.935 1.00 14.42 C ATOM 835 C CYS A 557 11.585 -2.086 4.554 1.00 52.34 C ATOM 836 O CYS A 557 12.444 -2.314 5.415 1.00 34.35 O ATOM 837 CB CYS A 557 12.523 -0.453 2.845 1.00 73.50 C ATOM 838 SG CYS A 557 14.145 0.037 3.485 1.00 14.12 S ATOM 0 H CYS A 557 12.270 -0.019 5.682 1.00 1.44 H new ATOM 0 HA CYS A 557 10.505 -0.651 3.436 1.00 14.42 H new ATOM 0 HB2 CYS A 557 12.640 -1.353 2.241 1.00 73.50 H new ATOM 0 HB3 CYS A 557 12.154 0.330 2.183 1.00 73.50 H new ATOM 0 HG CYS A 557 14.263 1.330 3.425 1.00 14.12 H new ATOM 844 N GLY A 558 10.698 -2.959 4.188 1.00 74.42 N ATOM 845 CA GLY A 558 10.665 -4.257 4.767 1.00 2.20 C ATOM 846 C GLY A 558 9.559 -5.057 4.179 1.00 50.52 C ATOM 847 O GLY A 558 9.177 -4.823 3.019 1.00 4.43 O ATOM 0 H GLY A 558 9.981 -2.789 3.482 1.00 74.42 H new ATOM 0 HA2 GLY A 558 11.617 -4.761 4.599 1.00 2.20 H new ATOM 0 HA3 GLY A 558 10.532 -4.178 5.846 1.00 2.20 H new ATOM 851 N GLU A 559 9.005 -5.943 4.955 1.00 2.53 N ATOM 852 CA GLU A 559 7.978 -6.850 4.503 1.00 73.52 C ATOM 853 C GLU A 559 6.937 -7.091 5.613 1.00 21.11 C ATOM 854 O GLU A 559 7.289 -7.308 6.776 1.00 11.43 O ATOM 855 CB GLU A 559 8.613 -8.177 4.051 1.00 32.42 C ATOM 856 CG GLU A 559 9.439 -8.109 2.760 1.00 44.15 C ATOM 857 CD GLU A 559 10.069 -9.437 2.377 1.00 15.31 C ATOM 858 OE1 GLU A 559 11.164 -9.756 2.876 1.00 23.34 O ATOM 859 OE2 GLU A 559 9.497 -10.181 1.553 1.00 53.14 O ATOM 0 H GLU A 559 9.255 -6.061 5.937 1.00 2.53 H new ATOM 0 HA GLU A 559 7.463 -6.402 3.653 1.00 73.52 H new ATOM 0 HB2 GLU A 559 9.254 -8.544 4.853 1.00 32.42 H new ATOM 0 HB3 GLU A 559 7.819 -8.912 3.915 1.00 32.42 H new ATOM 0 HG2 GLU A 559 8.799 -7.770 1.945 1.00 44.15 H new ATOM 0 HG3 GLU A 559 10.225 -7.363 2.879 1.00 44.15 H new ATOM 866 N LEU A 560 5.676 -7.019 5.250 1.00 15.14 N ATOM 867 CA LEU A 560 4.561 -7.229 6.173 1.00 5.10 C ATOM 868 C LEU A 560 4.104 -8.675 6.119 1.00 60.15 C ATOM 869 O LEU A 560 4.137 -9.303 5.051 1.00 50.40 O ATOM 870 CB LEU A 560 3.385 -6.324 5.796 1.00 74.30 C ATOM 871 CG LEU A 560 3.622 -4.821 5.897 1.00 21.40 C ATOM 872 CD1 LEU A 560 2.468 -4.069 5.287 1.00 41.45 C ATOM 873 CD2 LEU A 560 3.805 -4.396 7.346 1.00 73.04 C ATOM 0 H LEU A 560 5.382 -6.811 4.296 1.00 15.14 H new ATOM 0 HA LEU A 560 4.900 -6.988 7.181 1.00 5.10 H new ATOM 0 HB2 LEU A 560 3.092 -6.555 4.772 1.00 74.30 H new ATOM 0 HB3 LEU A 560 2.540 -6.580 6.435 1.00 74.30 H new ATOM 0 HG LEU A 560 4.534 -4.585 5.349 1.00 21.40 H new ATOM 0 HD11 LEU A 560 2.650 -2.997 5.366 1.00 41.45 H new ATOM 0 HD12 LEU A 560 2.369 -4.344 4.237 1.00 41.45 H new ATOM 0 HD13 LEU A 560 1.549 -4.321 5.816 1.00 41.45 H new ATOM 0 HD21 LEU A 560 3.972 -3.320 7.391 1.00 73.04 H new ATOM 0 HD22 LEU A 560 2.910 -4.648 7.915 1.00 73.04 H new ATOM 0 HD23 LEU A 560 4.664 -4.915 7.772 1.00 73.04 H new ATOM 885 N GLU A 561 3.665 -9.193 7.244 1.00 50.43 N ATOM 886 CA GLU A 561 3.228 -10.559 7.341 1.00 5.02 C ATOM 887 C GLU A 561 1.700 -10.662 7.432 1.00 42.15 C ATOM 888 O GLU A 561 1.088 -10.207 8.401 1.00 43.22 O ATOM 889 CB GLU A 561 3.877 -11.216 8.561 1.00 42.10 C ATOM 890 CG GLU A 561 3.492 -12.663 8.783 1.00 22.41 C ATOM 891 CD GLU A 561 4.130 -13.243 10.014 1.00 34.22 C ATOM 892 OE1 GLU A 561 3.605 -13.027 11.129 1.00 13.54 O ATOM 893 OE2 GLU A 561 5.178 -13.918 9.893 1.00 11.31 O ATOM 0 H GLU A 561 3.603 -8.672 8.119 1.00 50.43 H new ATOM 0 HA GLU A 561 3.536 -11.080 6.434 1.00 5.02 H new ATOM 0 HB2 GLU A 561 4.960 -11.155 8.456 1.00 42.10 H new ATOM 0 HB3 GLU A 561 3.610 -10.643 9.449 1.00 42.10 H new ATOM 0 HG2 GLU A 561 2.408 -12.739 8.869 1.00 22.41 H new ATOM 0 HG3 GLU A 561 3.785 -13.252 7.914 1.00 22.41 H new ATOM 900 N PHE A 562 1.099 -11.212 6.410 1.00 73.32 N ATOM 901 CA PHE A 562 -0.311 -11.537 6.423 1.00 12.32 C ATOM 902 C PHE A 562 -0.457 -13.025 6.468 1.00 64.43 C ATOM 903 O PHE A 562 0.345 -13.739 5.877 1.00 21.23 O ATOM 904 CB PHE A 562 -1.030 -11.013 5.198 1.00 35.25 C ATOM 905 CG PHE A 562 -1.458 -9.591 5.275 1.00 4.12 C ATOM 906 CD1 PHE A 562 -2.706 -9.279 5.782 1.00 73.11 C ATOM 907 CD2 PHE A 562 -0.649 -8.574 4.812 1.00 1.13 C ATOM 908 CE1 PHE A 562 -3.140 -7.976 5.830 1.00 72.42 C ATOM 909 CE2 PHE A 562 -1.079 -7.265 4.850 1.00 61.32 C ATOM 910 CZ PHE A 562 -2.330 -6.968 5.362 1.00 14.23 C ATOM 0 H PHE A 562 1.573 -11.450 5.539 1.00 73.32 H new ATOM 0 HA PHE A 562 -0.758 -11.066 7.299 1.00 12.32 H new ATOM 0 HB2 PHE A 562 -0.377 -11.133 4.334 1.00 35.25 H new ATOM 0 HB3 PHE A 562 -1.910 -11.631 5.020 1.00 35.25 H new ATOM 0 HD1 PHE A 562 -3.347 -10.069 6.145 1.00 73.11 H new ATOM 0 HD2 PHE A 562 0.329 -8.805 4.417 1.00 1.13 H new ATOM 0 HE1 PHE A 562 -4.114 -7.744 6.234 1.00 72.42 H new ATOM 0 HE2 PHE A 562 -0.442 -6.474 4.482 1.00 61.32 H new ATOM 0 HZ PHE A 562 -2.670 -5.944 5.394 1.00 14.23 H new ATOM 920 N GLN A 563 -1.442 -13.509 7.161 1.00 65.15 N ATOM 921 CA GLN A 563 -1.645 -14.936 7.279 1.00 61.23 C ATOM 922 C GLN A 563 -3.126 -15.203 7.348 1.00 23.10 C ATOM 923 O GLN A 563 -3.941 -14.300 7.146 1.00 74.23 O ATOM 924 CB GLN A 563 -1.014 -15.489 8.567 1.00 62.12 C ATOM 925 CG GLN A 563 0.427 -15.166 8.815 1.00 0.44 C ATOM 926 CD GLN A 563 0.872 -15.759 10.129 1.00 33.45 C ATOM 927 OE1 GLN A 563 0.082 -15.896 11.062 1.00 14.44 O ATOM 928 NE2 GLN A 563 2.083 -16.180 10.196 1.00 4.54 N ATOM 0 H GLN A 563 -2.126 -12.940 7.659 1.00 65.15 H new ATOM 0 HA GLN A 563 -1.181 -15.418 6.419 1.00 61.23 H new ATOM 0 HB2 GLN A 563 -1.594 -15.120 9.413 1.00 62.12 H new ATOM 0 HB3 GLN A 563 -1.120 -16.574 8.557 1.00 62.12 H new ATOM 0 HG2 GLN A 563 1.041 -15.558 8.004 1.00 0.44 H new ATOM 0 HG3 GLN A 563 0.569 -14.085 8.828 1.00 0.44 H new ATOM 0 HE21 GLN A 563 2.713 -16.050 9.404 1.00 4.54 H new ATOM 0 HE22 GLN A 563 2.416 -16.644 11.041 1.00 4.54 H new ATOM 937 N ASN A 564 -3.472 -16.430 7.631 1.00 40.25 N ATOM 938 CA ASN A 564 -4.846 -16.802 7.884 1.00 14.22 C ATOM 939 C ASN A 564 -5.170 -16.385 9.305 1.00 31.25 C ATOM 940 O ASN A 564 -6.216 -15.826 9.587 1.00 33.23 O ATOM 941 CB ASN A 564 -5.020 -18.315 7.714 1.00 40.20 C ATOM 942 CG ASN A 564 -6.415 -18.821 8.047 1.00 33.03 C ATOM 943 OD1 ASN A 564 -7.414 -18.119 7.891 1.00 74.54 O ATOM 944 ND2 ASN A 564 -6.493 -20.050 8.466 1.00 32.15 N ATOM 0 H ASN A 564 -2.811 -17.204 7.694 1.00 40.25 H new ATOM 0 HA ASN A 564 -5.519 -16.311 7.181 1.00 14.22 H new ATOM 0 HB2 ASN A 564 -4.784 -18.584 6.684 1.00 40.20 H new ATOM 0 HB3 ASN A 564 -4.298 -18.827 8.350 1.00 40.20 H new ATOM 0 HD21 ASN A 564 -7.403 -20.460 8.676 1.00 32.15 H new ATOM 0 HD22 ASN A 564 -5.644 -20.603 8.584 1.00 32.15 H new ATOM 951 N ASP A 565 -4.198 -16.579 10.171 1.00 34.42 N ATOM 952 CA ASP A 565 -4.329 -16.261 11.597 1.00 32.15 C ATOM 953 C ASP A 565 -3.931 -14.820 11.872 1.00 65.14 C ATOM 954 O ASP A 565 -4.014 -14.342 13.000 1.00 14.20 O ATOM 955 CB ASP A 565 -3.449 -17.190 12.450 1.00 61.13 C ATOM 956 CG ASP A 565 -3.814 -18.647 12.331 1.00 63.30 C ATOM 957 OD1 ASP A 565 -4.680 -19.138 13.107 1.00 11.44 O ATOM 958 OD2 ASP A 565 -3.246 -19.338 11.473 1.00 10.42 O ATOM 0 H ASP A 565 -3.288 -16.962 9.916 1.00 34.42 H new ATOM 0 HA ASP A 565 -5.376 -16.405 11.865 1.00 32.15 H new ATOM 0 HB2 ASP A 565 -2.407 -17.060 12.156 1.00 61.13 H new ATOM 0 HB3 ASP A 565 -3.525 -16.890 13.495 1.00 61.13 H new ATOM 963 N GLU A 566 -3.503 -14.133 10.850 1.00 74.54 N ATOM 964 CA GLU A 566 -3.057 -12.772 10.987 1.00 3.53 C ATOM 965 C GLU A 566 -3.966 -11.874 10.181 1.00 24.41 C ATOM 966 O GLU A 566 -4.144 -12.086 8.969 1.00 62.14 O ATOM 967 CB GLU A 566 -1.610 -12.650 10.507 1.00 15.13 C ATOM 968 CG GLU A 566 -0.986 -11.290 10.712 1.00 21.13 C ATOM 969 CD GLU A 566 -0.983 -10.886 12.154 1.00 13.44 C ATOM 970 OE1 GLU A 566 -0.207 -11.455 12.942 1.00 21.14 O ATOM 971 OE2 GLU A 566 -1.725 -9.987 12.518 1.00 22.24 O ATOM 0 H GLU A 566 -3.453 -14.499 9.899 1.00 74.54 H new ATOM 0 HA GLU A 566 -3.095 -12.470 12.034 1.00 3.53 H new ATOM 0 HB2 GLU A 566 -1.006 -13.393 11.027 1.00 15.13 H new ATOM 0 HB3 GLU A 566 -1.572 -12.895 9.446 1.00 15.13 H new ATOM 0 HG2 GLU A 566 0.037 -11.300 10.336 1.00 21.13 H new ATOM 0 HG3 GLU A 566 -1.532 -10.549 10.129 1.00 21.13 H new ATOM 978 N ILE A 567 -4.553 -10.891 10.817 1.00 54.24 N ATOM 979 CA ILE A 567 -5.448 -10.020 10.132 1.00 54.32 C ATOM 980 C ILE A 567 -4.905 -8.624 10.203 1.00 42.41 C ATOM 981 O ILE A 567 -4.369 -8.223 11.251 1.00 53.31 O ATOM 982 CB ILE A 567 -6.931 -10.088 10.684 1.00 43.13 C ATOM 983 CG1 ILE A 567 -7.113 -9.351 12.026 1.00 72.10 C ATOM 984 CG2 ILE A 567 -7.402 -11.530 10.817 1.00 31.32 C ATOM 985 CD1 ILE A 567 -7.620 -7.934 11.887 1.00 63.03 C ATOM 0 H ILE A 567 -4.421 -10.682 11.807 1.00 54.24 H new ATOM 0 HA ILE A 567 -5.512 -10.347 9.094 1.00 54.32 H new ATOM 0 HB ILE A 567 -7.547 -9.573 9.947 1.00 43.13 H new ATOM 0 HG12 ILE A 567 -7.809 -9.915 12.647 1.00 72.10 H new ATOM 0 HG13 ILE A 567 -6.158 -9.334 12.552 1.00 72.10 H new ATOM 0 HG21 ILE A 567 -8.423 -11.546 11.198 1.00 31.32 H new ATOM 0 HG22 ILE A 567 -7.371 -12.014 9.841 1.00 31.32 H new ATOM 0 HG23 ILE A 567 -6.749 -12.064 11.507 1.00 31.32 H new ATOM 0 HD11 ILE A 567 -7.721 -7.485 12.875 1.00 63.03 H new ATOM 0 HD12 ILE A 567 -6.915 -7.352 11.294 1.00 63.03 H new ATOM 0 HD13 ILE A 567 -8.591 -7.942 11.391 1.00 63.03 H new ATOM 997 N VAL A 568 -5.035 -7.916 9.089 1.00 1.15 N ATOM 998 CA VAL A 568 -4.611 -6.523 8.880 1.00 41.23 C ATOM 999 C VAL A 568 -3.106 -6.284 9.176 1.00 51.41 C ATOM 1000 O VAL A 568 -2.431 -7.088 9.814 1.00 20.30 O ATOM 1001 CB VAL A 568 -5.523 -5.504 9.664 1.00 61.21 C ATOM 1002 CG1 VAL A 568 -5.084 -5.282 11.101 1.00 24.14 C ATOM 1003 CG2 VAL A 568 -5.694 -4.191 8.915 1.00 14.04 C ATOM 0 H VAL A 568 -5.463 -8.315 8.254 1.00 1.15 H new ATOM 0 HA VAL A 568 -4.743 -6.335 7.814 1.00 41.23 H new ATOM 0 HB VAL A 568 -6.504 -5.975 9.721 1.00 61.21 H new ATOM 0 HG11 VAL A 568 -5.756 -4.570 11.581 1.00 24.14 H new ATOM 0 HG12 VAL A 568 -5.113 -6.229 11.641 1.00 24.14 H new ATOM 0 HG13 VAL A 568 -4.068 -4.888 11.114 1.00 24.14 H new ATOM 0 HG21 VAL A 568 -6.330 -3.522 9.494 1.00 14.04 H new ATOM 0 HG22 VAL A 568 -4.719 -3.727 8.767 1.00 14.04 H new ATOM 0 HG23 VAL A 568 -6.156 -4.382 7.946 1.00 14.04 H new ATOM 1013 N LYS A 569 -2.578 -5.222 8.650 1.00 55.22 N ATOM 1014 CA LYS A 569 -1.217 -4.819 8.916 1.00 13.23 C ATOM 1015 C LYS A 569 -1.132 -3.335 8.873 1.00 62.10 C ATOM 1016 O LYS A 569 -2.044 -2.672 8.352 1.00 4.15 O ATOM 1017 CB LYS A 569 -0.211 -5.430 7.923 1.00 42.43 C ATOM 1018 CG LYS A 569 0.164 -6.906 8.144 1.00 2.13 C ATOM 1019 CD LYS A 569 1.266 -7.114 9.204 1.00 40.14 C ATOM 1020 CE LYS A 569 0.849 -6.857 10.663 1.00 21.31 C ATOM 1021 NZ LYS A 569 -0.209 -7.788 11.135 1.00 70.32 N ATOM 0 H LYS A 569 -3.079 -4.599 8.016 1.00 55.22 H new ATOM 0 HA LYS A 569 -0.949 -5.190 9.905 1.00 13.23 H new ATOM 0 HB2 LYS A 569 -0.620 -5.329 6.918 1.00 42.43 H new ATOM 0 HB3 LYS A 569 0.703 -4.837 7.956 1.00 42.43 H new ATOM 0 HG2 LYS A 569 -0.727 -7.457 8.446 1.00 2.13 H new ATOM 0 HG3 LYS A 569 0.497 -7.333 7.198 1.00 2.13 H new ATOM 0 HD2 LYS A 569 1.631 -8.138 9.125 1.00 40.14 H new ATOM 0 HD3 LYS A 569 2.103 -6.458 8.964 1.00 40.14 H new ATOM 0 HE2 LYS A 569 1.723 -6.952 11.307 1.00 21.31 H new ATOM 0 HE3 LYS A 569 0.492 -5.831 10.758 1.00 21.31 H new ATOM 0 HZ1 LYS A 569 -0.237 -7.783 12.175 1.00 70.32 H new ATOM 0 HZ2 LYS A 569 -1.131 -7.483 10.762 1.00 70.32 H new ATOM 0 HZ3 LYS A 569 -0.000 -8.750 10.799 1.00 70.32 H new ATOM 1035 N THR A 570 -0.081 -2.813 9.420 1.00 43.34 N ATOM 1036 CA THR A 570 0.153 -1.403 9.431 1.00 71.20 C ATOM 1037 C THR A 570 1.582 -1.091 9.065 1.00 3.24 C ATOM 1038 O THR A 570 2.511 -1.756 9.522 1.00 54.11 O ATOM 1039 CB THR A 570 -0.175 -0.757 10.806 1.00 1.11 C ATOM 1040 OG1 THR A 570 0.354 -1.539 11.896 1.00 13.21 O ATOM 1041 CG2 THR A 570 -1.659 -0.545 10.999 1.00 33.30 C ATOM 0 H THR A 570 0.648 -3.360 9.877 1.00 43.34 H new ATOM 0 HA THR A 570 -0.519 -0.976 8.687 1.00 71.20 H new ATOM 0 HB THR A 570 0.308 0.220 10.807 1.00 1.11 H new ATOM 0 HG1 THR A 570 0.349 -1.003 12.716 1.00 13.21 H new ATOM 0 HG21 THR A 570 -1.838 -0.092 11.974 1.00 33.30 H new ATOM 0 HG22 THR A 570 -2.037 0.114 10.217 1.00 33.30 H new ATOM 0 HG23 THR A 570 -2.174 -1.504 10.945 1.00 33.30 H new ATOM 1049 N ILE A 571 1.763 -0.134 8.202 1.00 11.23 N ATOM 1050 CA ILE A 571 3.090 0.337 7.928 1.00 30.52 C ATOM 1051 C ILE A 571 3.401 1.373 8.968 1.00 54.43 C ATOM 1052 O ILE A 571 2.681 2.367 9.074 1.00 1.21 O ATOM 1053 CB ILE A 571 3.288 0.967 6.503 1.00 44.24 C ATOM 1054 CG1 ILE A 571 3.138 -0.056 5.374 1.00 62.31 C ATOM 1055 CG2 ILE A 571 4.643 1.626 6.396 1.00 1.30 C ATOM 1056 CD1 ILE A 571 1.742 -0.505 5.118 1.00 45.22 C ATOM 0 H ILE A 571 1.019 0.331 7.681 1.00 11.23 H new ATOM 0 HA ILE A 571 3.758 -0.524 7.954 1.00 30.52 H new ATOM 0 HB ILE A 571 2.499 1.710 6.387 1.00 44.24 H new ATOM 0 HG12 ILE A 571 3.540 0.375 4.457 1.00 62.31 H new ATOM 0 HG13 ILE A 571 3.747 -0.928 5.610 1.00 62.31 H new ATOM 0 HG21 ILE A 571 4.761 2.056 5.401 1.00 1.30 H new ATOM 0 HG22 ILE A 571 4.724 2.414 7.144 1.00 1.30 H new ATOM 0 HG23 ILE A 571 5.423 0.884 6.565 1.00 1.30 H new ATOM 0 HD11 ILE A 571 1.736 -1.228 4.302 1.00 45.22 H new ATOM 0 HD12 ILE A 571 1.339 -0.970 6.018 1.00 45.22 H new ATOM 0 HD13 ILE A 571 1.128 0.353 4.846 1.00 45.22 H new ATOM 1068 N SER A 572 4.400 1.121 9.750 1.00 14.30 N ATOM 1069 CA SER A 572 4.804 2.025 10.772 1.00 53.41 C ATOM 1070 C SER A 572 5.984 2.842 10.263 1.00 33.11 C ATOM 1071 O SER A 572 7.015 2.284 9.865 1.00 21.13 O ATOM 1072 CB SER A 572 5.178 1.226 12.012 1.00 73.42 C ATOM 1073 OG SER A 572 4.106 0.353 12.373 1.00 1.41 O ATOM 0 H SER A 572 4.963 0.272 9.695 1.00 14.30 H new ATOM 0 HA SER A 572 3.996 2.709 11.033 1.00 53.41 H new ATOM 0 HB2 SER A 572 6.082 0.647 11.822 1.00 73.42 H new ATOM 0 HB3 SER A 572 5.400 1.903 12.837 1.00 73.42 H new ATOM 0 HG SER A 572 4.355 -0.159 13.171 1.00 1.41 H new ATOM 1079 N VAL A 573 5.825 4.140 10.225 1.00 3.14 N ATOM 1080 CA VAL A 573 6.869 5.018 9.727 1.00 41.35 C ATOM 1081 C VAL A 573 7.214 6.034 10.794 1.00 63.14 C ATOM 1082 O VAL A 573 6.311 6.603 11.427 1.00 5.44 O ATOM 1083 CB VAL A 573 6.430 5.781 8.437 1.00 42.15 C ATOM 1084 CG1 VAL A 573 7.585 6.588 7.843 1.00 15.03 C ATOM 1085 CG2 VAL A 573 5.842 4.837 7.399 1.00 4.11 C ATOM 0 H VAL A 573 4.980 4.621 10.533 1.00 3.14 H new ATOM 0 HA VAL A 573 7.731 4.398 9.479 1.00 41.35 H new ATOM 0 HB VAL A 573 5.648 6.481 8.732 1.00 42.15 H new ATOM 0 HG11 VAL A 573 7.244 7.106 6.947 1.00 15.03 H new ATOM 0 HG12 VAL A 573 7.932 7.318 8.574 1.00 15.03 H new ATOM 0 HG13 VAL A 573 8.403 5.916 7.584 1.00 15.03 H new ATOM 0 HG21 VAL A 573 5.548 5.405 6.516 1.00 4.11 H new ATOM 0 HG22 VAL A 573 6.588 4.093 7.120 1.00 4.11 H new ATOM 0 HG23 VAL A 573 4.968 4.337 7.816 1.00 4.11 H new ATOM 1095 N LYS A 574 8.494 6.237 11.005 1.00 3.30 N ATOM 1096 CA LYS A 574 8.985 7.201 11.948 1.00 11.13 C ATOM 1097 C LYS A 574 9.126 8.550 11.258 1.00 4.12 C ATOM 1098 O LYS A 574 9.885 8.702 10.286 1.00 23.12 O ATOM 1099 CB LYS A 574 10.327 6.710 12.535 1.00 2.23 C ATOM 1100 CG LYS A 574 11.064 7.673 13.468 1.00 63.33 C ATOM 1101 CD LYS A 574 10.270 7.997 14.718 1.00 74.22 C ATOM 1102 CE LYS A 574 11.114 8.787 15.707 1.00 15.31 C ATOM 1103 NZ LYS A 574 10.384 9.079 16.958 1.00 52.20 N ATOM 0 H LYS A 574 9.230 5.727 10.517 1.00 3.30 H new ATOM 0 HA LYS A 574 8.284 7.318 12.775 1.00 11.13 H new ATOM 0 HB2 LYS A 574 10.141 5.784 13.080 1.00 2.23 H new ATOM 0 HB3 LYS A 574 10.991 6.465 11.706 1.00 2.23 H new ATOM 0 HG2 LYS A 574 12.021 7.236 13.753 1.00 63.33 H new ATOM 0 HG3 LYS A 574 11.283 8.596 12.932 1.00 63.33 H new ATOM 0 HD2 LYS A 574 9.382 8.571 14.451 1.00 74.22 H new ATOM 0 HD3 LYS A 574 9.925 7.074 15.184 1.00 74.22 H new ATOM 0 HE2 LYS A 574 12.019 8.225 15.939 1.00 15.31 H new ATOM 0 HE3 LYS A 574 11.430 9.723 15.246 1.00 15.31 H new ATOM 0 HZ1 LYS A 574 10.999 9.618 17.601 1.00 52.20 H new ATOM 0 HZ2 LYS A 574 9.534 9.638 16.742 1.00 52.20 H new ATOM 0 HZ3 LYS A 574 10.105 8.187 17.413 1.00 52.20 H new ATOM 1117 N VAL A 575 8.363 9.492 11.715 1.00 14.32 N ATOM 1118 CA VAL A 575 8.410 10.828 11.186 1.00 50.22 C ATOM 1119 C VAL A 575 9.487 11.583 11.936 1.00 11.41 C ATOM 1120 O VAL A 575 9.581 11.470 13.161 1.00 70.21 O ATOM 1121 CB VAL A 575 7.030 11.538 11.330 1.00 33.43 C ATOM 1122 CG1 VAL A 575 7.061 12.951 10.752 1.00 61.23 C ATOM 1123 CG2 VAL A 575 5.943 10.713 10.649 1.00 11.40 C ATOM 0 H VAL A 575 7.687 9.361 12.467 1.00 14.32 H new ATOM 0 HA VAL A 575 8.640 10.800 10.121 1.00 50.22 H new ATOM 0 HB VAL A 575 6.806 11.620 12.394 1.00 33.43 H new ATOM 0 HG11 VAL A 575 6.081 13.414 10.871 1.00 61.23 H new ATOM 0 HG12 VAL A 575 7.809 13.543 11.279 1.00 61.23 H new ATOM 0 HG13 VAL A 575 7.315 12.905 9.693 1.00 61.23 H new ATOM 0 HG21 VAL A 575 4.983 11.218 10.755 1.00 11.40 H new ATOM 0 HG22 VAL A 575 6.180 10.602 9.591 1.00 11.40 H new ATOM 0 HG23 VAL A 575 5.889 9.728 11.114 1.00 11.40 H new ATOM 1133 N ILE A 576 10.317 12.288 11.222 1.00 33.31 N ATOM 1134 CA ILE A 576 11.408 13.008 11.827 1.00 60.12 C ATOM 1135 C ILE A 576 10.964 14.455 12.028 1.00 32.35 C ATOM 1136 O ILE A 576 9.999 14.904 11.400 1.00 71.14 O ATOM 1137 CB ILE A 576 12.693 12.943 10.915 1.00 2.21 C ATOM 1138 CG1 ILE A 576 13.041 11.487 10.553 1.00 33.31 C ATOM 1139 CG2 ILE A 576 13.904 13.618 11.560 1.00 32.15 C ATOM 1140 CD1 ILE A 576 13.308 10.569 11.727 1.00 53.35 C ATOM 0 H ILE A 576 10.260 12.382 10.208 1.00 33.31 H new ATOM 0 HA ILE A 576 11.666 12.558 12.786 1.00 60.12 H new ATOM 0 HB ILE A 576 12.452 13.493 10.005 1.00 2.21 H new ATOM 0 HG12 ILE A 576 12.221 11.071 9.968 1.00 33.31 H new ATOM 0 HG13 ILE A 576 13.921 11.491 9.910 1.00 33.31 H new ATOM 0 HG21 ILE A 576 14.761 13.545 10.890 1.00 32.15 H new ATOM 0 HG22 ILE A 576 13.679 14.668 11.747 1.00 32.15 H new ATOM 0 HG23 ILE A 576 14.137 13.123 12.503 1.00 32.15 H new ATOM 0 HD11 ILE A 576 13.543 9.569 11.361 1.00 53.35 H new ATOM 0 HD12 ILE A 576 14.150 10.952 12.304 1.00 53.35 H new ATOM 0 HD13 ILE A 576 12.423 10.524 12.362 1.00 53.35 H new ATOM 1152 N ASP A 577 11.609 15.151 12.934 1.00 51.24 N ATOM 1153 CA ASP A 577 11.325 16.547 13.168 1.00 73.32 C ATOM 1154 C ASP A 577 11.760 17.341 11.951 1.00 11.35 C ATOM 1155 O ASP A 577 12.922 17.310 11.542 1.00 14.55 O ATOM 1156 CB ASP A 577 11.991 17.066 14.461 1.00 11.00 C ATOM 1157 CG ASP A 577 13.503 17.020 14.449 1.00 11.11 C ATOM 1158 OD1 ASP A 577 14.088 15.924 14.597 1.00 14.52 O ATOM 1159 OD2 ASP A 577 14.141 18.086 14.317 1.00 50.00 O ATOM 0 H ASP A 577 12.344 14.767 13.528 1.00 51.24 H new ATOM 0 HA ASP A 577 10.253 16.673 13.317 1.00 73.32 H new ATOM 0 HB2 ASP A 577 11.673 18.094 14.631 1.00 11.00 H new ATOM 0 HB3 ASP A 577 11.629 16.477 15.303 1.00 11.00 H new ATOM 1164 N ASP A 578 10.811 17.993 11.360 1.00 12.24 N ATOM 1165 CA ASP A 578 10.983 18.708 10.106 1.00 22.42 C ATOM 1166 C ASP A 578 11.902 19.909 10.267 1.00 62.14 C ATOM 1167 O ASP A 578 11.650 20.814 11.078 1.00 34.23 O ATOM 1168 CB ASP A 578 9.623 19.095 9.604 1.00 70.43 C ATOM 1169 CG ASP A 578 9.557 19.707 8.243 1.00 24.22 C ATOM 1170 OD1 ASP A 578 10.290 19.242 7.319 1.00 60.12 O ATOM 1171 OD2 ASP A 578 8.693 20.632 8.050 1.00 5.43 O ATOM 0 H ASP A 578 9.864 18.053 11.735 1.00 12.24 H new ATOM 0 HA ASP A 578 11.469 18.065 9.373 1.00 22.42 H new ATOM 0 HB2 ASP A 578 8.994 18.205 9.607 1.00 70.43 H new ATOM 0 HB3 ASP A 578 9.186 19.797 10.314 1.00 70.43 H new ATOM 1176 N GLU A 579 12.944 19.889 9.477 1.00 5.50 N ATOM 1177 CA GLU A 579 14.048 20.821 9.520 1.00 2.30 C ATOM 1178 C GLU A 579 13.819 22.082 8.677 1.00 32.34 C ATOM 1179 O GLU A 579 14.452 23.111 8.930 1.00 65.41 O ATOM 1180 CB GLU A 579 15.352 20.128 9.039 1.00 24.22 C ATOM 1181 CG GLU A 579 15.391 19.711 7.541 1.00 12.54 C ATOM 1182 CD GLU A 579 14.420 18.601 7.134 1.00 71.43 C ATOM 1183 OE1 GLU A 579 13.164 18.832 7.121 1.00 71.14 O ATOM 1184 OE2 GLU A 579 14.865 17.524 6.756 1.00 42.20 O ATOM 0 H GLU A 579 13.054 19.186 8.746 1.00 5.50 H new ATOM 0 HA GLU A 579 14.134 21.136 10.560 1.00 2.30 H new ATOM 0 HB2 GLU A 579 16.189 20.800 9.230 1.00 24.22 H new ATOM 0 HB3 GLU A 579 15.512 19.238 9.647 1.00 24.22 H new ATOM 0 HG2 GLU A 579 15.183 20.591 6.933 1.00 12.54 H new ATOM 0 HG3 GLU A 579 16.404 19.389 7.299 1.00 12.54 H new ATOM 1191 N GLU A 580 12.964 22.021 7.673 1.00 41.22 N ATOM 1192 CA GLU A 580 12.793 23.188 6.836 1.00 73.23 C ATOM 1193 C GLU A 580 11.377 23.713 6.909 1.00 42.11 C ATOM 1194 O GLU A 580 10.539 23.148 7.625 1.00 62.24 O ATOM 1195 CB GLU A 580 13.244 22.971 5.346 1.00 54.32 C ATOM 1196 CG GLU A 580 12.353 22.086 4.434 1.00 3.03 C ATOM 1197 CD GLU A 580 12.488 20.588 4.616 1.00 71.30 C ATOM 1198 OE1 GLU A 580 13.386 19.980 4.015 1.00 3.42 O ATOM 1199 OE2 GLU A 580 11.660 19.965 5.326 1.00 11.42 O ATOM 0 H GLU A 580 12.398 21.209 7.425 1.00 41.22 H new ATOM 0 HA GLU A 580 13.465 23.944 7.242 1.00 73.23 H new ATOM 0 HB2 GLU A 580 13.330 23.951 4.878 1.00 54.32 H new ATOM 0 HB3 GLU A 580 14.243 22.535 5.360 1.00 54.32 H new ATOM 0 HG2 GLU A 580 11.312 22.359 4.604 1.00 3.03 H new ATOM 0 HG3 GLU A 580 12.580 22.327 3.396 1.00 3.03 H new ATOM 1206 N TYR A 581 11.134 24.824 6.225 1.00 34.45 N ATOM 1207 CA TYR A 581 9.805 25.399 6.093 1.00 3.13 C ATOM 1208 C TYR A 581 8.908 24.376 5.402 1.00 54.44 C ATOM 1209 O TYR A 581 9.402 23.506 4.647 1.00 60.43 O ATOM 1210 CB TYR A 581 9.832 26.714 5.284 1.00 44.01 C ATOM 1211 CG TYR A 581 10.098 26.541 3.799 1.00 61.33 C ATOM 1212 CD1 TYR A 581 9.057 26.225 2.940 1.00 34.24 C ATOM 1213 CD2 TYR A 581 11.369 26.669 3.265 1.00 3.42 C ATOM 1214 CE1 TYR A 581 9.254 26.043 1.615 1.00 23.05 C ATOM 1215 CE2 TYR A 581 11.583 26.490 1.913 1.00 14.55 C ATOM 1216 CZ TYR A 581 10.521 26.176 1.090 1.00 32.34 C ATOM 1217 OH TYR A 581 10.731 25.992 -0.258 1.00 22.55 O ATOM 0 H TYR A 581 11.860 25.354 5.743 1.00 34.45 H new ATOM 0 HA TYR A 581 9.420 25.639 7.084 1.00 3.13 H new ATOM 0 HB2 TYR A 581 8.876 27.222 5.411 1.00 44.01 H new ATOM 0 HB3 TYR A 581 10.598 27.366 5.703 1.00 44.01 H new ATOM 0 HD1 TYR A 581 8.060 26.121 3.341 1.00 34.24 H new ATOM 0 HD2 TYR A 581 12.200 26.911 3.911 1.00 3.42 H new ATOM 0 HE1 TYR A 581 8.423 25.795 0.972 1.00 23.05 H new ATOM 0 HE2 TYR A 581 12.576 26.595 1.502 1.00 14.55 H new ATOM 0 HH TYR A 581 11.680 26.124 -0.462 1.00 22.55 H new ATOM 1227 N GLU A 582 7.638 24.437 5.621 1.00 12.34 N ATOM 1228 CA GLU A 582 6.816 23.437 5.051 1.00 24.51 C ATOM 1229 C GLU A 582 6.416 23.709 3.636 1.00 44.03 C ATOM 1230 O GLU A 582 5.562 24.548 3.340 1.00 24.20 O ATOM 1231 CB GLU A 582 5.611 23.112 5.894 1.00 41.40 C ATOM 1232 CG GLU A 582 4.902 21.822 5.499 1.00 50.13 C ATOM 1233 CD GLU A 582 5.815 20.626 5.631 1.00 24.20 C ATOM 1234 OE1 GLU A 582 6.481 20.477 6.689 1.00 24.41 O ATOM 1235 OE2 GLU A 582 5.912 19.837 4.712 1.00 2.43 O ATOM 0 H GLU A 582 7.161 25.149 6.175 1.00 12.34 H new ATOM 0 HA GLU A 582 7.454 22.554 5.029 1.00 24.51 H new ATOM 0 HB2 GLU A 582 5.920 23.039 6.937 1.00 41.40 H new ATOM 0 HB3 GLU A 582 4.902 23.938 5.829 1.00 41.40 H new ATOM 0 HG2 GLU A 582 4.023 21.681 6.128 1.00 50.13 H new ATOM 0 HG3 GLU A 582 4.549 21.900 4.471 1.00 50.13 H new ATOM 1242 N LYS A 583 7.095 23.042 2.778 1.00 41.21 N ATOM 1243 CA LYS A 583 6.628 22.844 1.467 1.00 13.53 C ATOM 1244 C LYS A 583 6.009 21.480 1.560 1.00 21.42 C ATOM 1245 O LYS A 583 6.611 20.587 2.176 1.00 32.50 O ATOM 1246 CB LYS A 583 7.746 22.851 0.408 1.00 70.41 C ATOM 1247 CG LYS A 583 8.814 21.773 0.572 1.00 54.15 C ATOM 1248 CD LYS A 583 9.625 21.602 -0.696 1.00 21.43 C ATOM 1249 CE LYS A 583 10.372 22.863 -1.063 1.00 15.34 C ATOM 1250 NZ LYS A 583 11.216 22.696 -2.267 1.00 12.23 N ATOM 0 H LYS A 583 8.001 22.615 2.973 1.00 41.21 H new ATOM 0 HA LYS A 583 5.955 23.640 1.147 1.00 13.53 H new ATOM 0 HB2 LYS A 583 7.291 22.740 -0.576 1.00 70.41 H new ATOM 0 HB3 LYS A 583 8.233 23.826 0.426 1.00 70.41 H new ATOM 0 HG2 LYS A 583 9.476 22.037 1.397 1.00 54.15 H new ATOM 0 HG3 LYS A 583 8.341 20.827 0.834 1.00 54.15 H new ATOM 0 HD2 LYS A 583 10.335 20.785 -0.565 1.00 21.43 H new ATOM 0 HD3 LYS A 583 8.963 21.321 -1.515 1.00 21.43 H new ATOM 0 HE2 LYS A 583 9.657 23.667 -1.234 1.00 15.34 H new ATOM 0 HE3 LYS A 583 10.998 23.167 -0.224 1.00 15.34 H new ATOM 0 HZ1 LYS A 583 11.706 23.590 -2.474 1.00 12.23 H new ATOM 0 HZ2 LYS A 583 11.918 21.948 -2.098 1.00 12.23 H new ATOM 0 HZ3 LYS A 583 10.618 22.433 -3.076 1.00 12.23 H new ATOM 1264 N ASN A 584 4.843 21.300 1.038 1.00 15.42 N ATOM 1265 CA ASN A 584 4.165 20.028 1.207 1.00 34.10 C ATOM 1266 C ASN A 584 4.728 18.963 0.328 1.00 73.22 C ATOM 1267 O ASN A 584 4.194 18.654 -0.741 1.00 64.12 O ATOM 1268 CB ASN A 584 2.644 20.109 1.080 1.00 51.15 C ATOM 1269 CG ASN A 584 1.955 20.804 2.245 1.00 23.13 C ATOM 1270 OD1 ASN A 584 0.908 21.440 2.068 1.00 11.14 O ATOM 1271 ND2 ASN A 584 2.475 20.664 3.436 1.00 52.24 N ATOM 0 H ASN A 584 4.333 21.997 0.496 1.00 15.42 H new ATOM 0 HA ASN A 584 4.362 19.746 2.241 1.00 34.10 H new ATOM 0 HB2 ASN A 584 2.396 20.636 0.159 1.00 51.15 H new ATOM 0 HB3 ASN A 584 2.245 19.099 0.987 1.00 51.15 H new ATOM 0 HD21 ASN A 584 2.017 21.084 4.245 1.00 52.24 H new ATOM 0 HD22 ASN A 584 3.339 20.135 3.556 1.00 52.24 H new ATOM 1278 N LYS A 585 5.848 18.449 0.750 1.00 24.02 N ATOM 1279 CA LYS A 585 6.487 17.385 0.077 1.00 4.21 C ATOM 1280 C LYS A 585 5.811 16.112 0.544 1.00 12.25 C ATOM 1281 O LYS A 585 5.058 16.129 1.530 1.00 30.43 O ATOM 1282 CB LYS A 585 8.030 17.362 0.353 1.00 3.35 C ATOM 1283 CG LYS A 585 8.506 16.577 1.593 1.00 3.10 C ATOM 1284 CD LYS A 585 8.049 17.149 2.921 1.00 64.33 C ATOM 1285 CE LYS A 585 8.761 18.467 3.254 1.00 21.32 C ATOM 1286 NZ LYS A 585 8.364 19.003 4.579 1.00 64.53 N ATOM 0 H LYS A 585 6.339 18.771 1.584 1.00 24.02 H new ATOM 0 HA LYS A 585 6.391 17.499 -1.003 1.00 4.21 H new ATOM 0 HB2 LYS A 585 8.525 16.944 -0.524 1.00 3.35 H new ATOM 0 HB3 LYS A 585 8.372 18.392 0.452 1.00 3.35 H new ATOM 0 HG2 LYS A 585 8.150 15.550 1.514 1.00 3.10 H new ATOM 0 HG3 LYS A 585 9.595 16.539 1.585 1.00 3.10 H new ATOM 0 HD2 LYS A 585 6.972 17.316 2.893 1.00 64.33 H new ATOM 0 HD3 LYS A 585 8.239 16.424 3.713 1.00 64.33 H new ATOM 0 HE2 LYS A 585 9.839 18.309 3.237 1.00 21.32 H new ATOM 0 HE3 LYS A 585 8.535 19.204 2.484 1.00 21.32 H new ATOM 0 HZ1 LYS A 585 8.676 19.992 4.661 1.00 64.53 H new ATOM 0 HZ2 LYS A 585 7.330 18.957 4.676 1.00 64.53 H new ATOM 0 HZ3 LYS A 585 8.808 18.436 5.330 1.00 64.53 H new ATOM 1300 N THR A 586 6.053 15.044 -0.115 1.00 41.15 N ATOM 1301 CA THR A 586 5.408 13.842 0.218 1.00 70.31 C ATOM 1302 C THR A 586 6.215 12.662 -0.238 1.00 44.14 C ATOM 1303 O THR A 586 6.933 12.731 -1.247 1.00 3.12 O ATOM 1304 CB THR A 586 3.956 13.837 -0.344 1.00 3.14 C ATOM 1305 OG1 THR A 586 3.329 12.581 -0.157 1.00 51.30 O ATOM 1306 CG2 THR A 586 3.891 14.227 -1.802 1.00 30.50 C ATOM 0 H THR A 586 6.703 14.982 -0.898 1.00 41.15 H new ATOM 0 HA THR A 586 5.330 13.762 1.302 1.00 70.31 H new ATOM 0 HB THR A 586 3.416 14.593 0.226 1.00 3.14 H new ATOM 0 HG1 THR A 586 3.565 12.226 0.725 1.00 51.30 H new ATOM 0 HG21 THR A 586 2.854 14.206 -2.138 1.00 30.50 H new ATOM 0 HG22 THR A 586 4.293 15.232 -1.928 1.00 30.50 H new ATOM 0 HG23 THR A 586 4.479 13.525 -2.393 1.00 30.50 H new ATOM 1314 N PHE A 587 6.153 11.638 0.554 1.00 31.23 N ATOM 1315 CA PHE A 587 6.800 10.403 0.293 1.00 30.23 C ATOM 1316 C PHE A 587 5.759 9.356 0.032 1.00 54.02 C ATOM 1317 O PHE A 587 4.631 9.435 0.566 1.00 3.03 O ATOM 1318 CB PHE A 587 7.778 10.003 1.417 1.00 64.54 C ATOM 1319 CG PHE A 587 7.357 10.349 2.832 1.00 22.51 C ATOM 1320 CD1 PHE A 587 6.388 9.636 3.508 1.00 75.15 C ATOM 1321 CD2 PHE A 587 7.978 11.385 3.488 1.00 63.13 C ATOM 1322 CE1 PHE A 587 6.058 9.971 4.815 1.00 34.11 C ATOM 1323 CE2 PHE A 587 7.651 11.715 4.778 1.00 53.31 C ATOM 1324 CZ PHE A 587 6.691 11.006 5.441 1.00 73.52 C ATOM 0 H PHE A 587 5.630 11.645 1.430 1.00 31.23 H new ATOM 0 HA PHE A 587 7.422 10.508 -0.596 1.00 30.23 H new ATOM 0 HB2 PHE A 587 7.939 8.926 1.362 1.00 64.54 H new ATOM 0 HB3 PHE A 587 8.738 10.480 1.220 1.00 64.54 H new ATOM 0 HD1 PHE A 587 5.885 8.815 3.019 1.00 75.15 H new ATOM 0 HD2 PHE A 587 8.741 11.952 2.976 1.00 63.13 H new ATOM 0 HE1 PHE A 587 5.297 9.410 5.338 1.00 34.11 H new ATOM 0 HE2 PHE A 587 8.153 12.535 5.269 1.00 53.31 H new ATOM 0 HZ PHE A 587 6.433 11.263 6.458 1.00 73.52 H new ATOM 1334 N PHE A 588 6.100 8.404 -0.778 1.00 65.21 N ATOM 1335 CA PHE A 588 5.146 7.435 -1.204 1.00 0.34 C ATOM 1336 C PHE A 588 5.412 6.127 -0.519 1.00 12.12 C ATOM 1337 O PHE A 588 6.552 5.679 -0.450 1.00 53.22 O ATOM 1338 CB PHE A 588 5.223 7.236 -2.724 1.00 63.34 C ATOM 1339 CG PHE A 588 5.331 8.517 -3.514 1.00 34.43 C ATOM 1340 CD1 PHE A 588 4.337 9.475 -3.466 1.00 22.12 C ATOM 1341 CD2 PHE A 588 6.437 8.751 -4.308 1.00 13.20 C ATOM 1342 CE1 PHE A 588 4.445 10.643 -4.194 1.00 0.51 C ATOM 1343 CE2 PHE A 588 6.552 9.913 -5.038 1.00 60.31 C ATOM 1344 CZ PHE A 588 5.555 10.860 -4.982 1.00 53.11 C ATOM 0 H PHE A 588 7.038 8.278 -1.158 1.00 65.21 H new ATOM 0 HA PHE A 588 4.150 7.792 -0.943 1.00 0.34 H new ATOM 0 HB2 PHE A 588 6.084 6.608 -2.953 1.00 63.34 H new ATOM 0 HB3 PHE A 588 4.336 6.694 -3.053 1.00 63.34 H new ATOM 0 HD1 PHE A 588 3.465 9.308 -2.851 1.00 22.12 H new ATOM 0 HD2 PHE A 588 7.223 8.012 -4.357 1.00 13.20 H new ATOM 0 HE1 PHE A 588 3.662 11.385 -4.146 1.00 0.51 H new ATOM 0 HE2 PHE A 588 7.423 10.081 -5.654 1.00 60.31 H new ATOM 0 HZ PHE A 588 5.642 11.772 -5.554 1.00 53.11 H new ATOM 1354 N LEU A 589 4.400 5.546 0.025 1.00 44.03 N ATOM 1355 CA LEU A 589 4.520 4.239 0.572 1.00 73.10 C ATOM 1356 C LEU A 589 3.888 3.329 -0.449 1.00 40.21 C ATOM 1357 O LEU A 589 2.710 3.483 -0.790 1.00 32.05 O ATOM 1358 CB LEU A 589 3.793 4.120 1.926 1.00 70.22 C ATOM 1359 CG LEU A 589 4.304 3.049 2.914 1.00 12.00 C ATOM 1360 CD1 LEU A 589 4.283 1.647 2.340 1.00 53.42 C ATOM 1361 CD2 LEU A 589 5.675 3.404 3.404 1.00 33.33 C ATOM 0 H LEU A 589 3.471 5.960 0.103 1.00 44.03 H new ATOM 0 HA LEU A 589 5.562 3.985 0.768 1.00 73.10 H new ATOM 0 HB2 LEU A 589 3.845 5.089 2.423 1.00 70.22 H new ATOM 0 HB3 LEU A 589 2.740 3.920 1.727 1.00 70.22 H new ATOM 0 HG LEU A 589 3.611 3.043 3.755 1.00 12.00 H new ATOM 0 HD11 LEU A 589 4.654 0.943 3.085 1.00 53.42 H new ATOM 0 HD12 LEU A 589 3.262 1.381 2.067 1.00 53.42 H new ATOM 0 HD13 LEU A 589 4.918 1.607 1.455 1.00 53.42 H new ATOM 0 HD21 LEU A 589 6.022 2.640 4.100 1.00 33.33 H new ATOM 0 HD22 LEU A 589 6.360 3.463 2.558 1.00 33.33 H new ATOM 0 HD23 LEU A 589 5.642 4.368 3.911 1.00 33.33 H new ATOM 1373 N GLU A 590 4.647 2.450 -0.971 1.00 22.42 N ATOM 1374 CA GLU A 590 4.157 1.564 -1.964 1.00 34.14 C ATOM 1375 C GLU A 590 4.526 0.164 -1.570 1.00 33.55 C ATOM 1376 O GLU A 590 5.584 -0.063 -0.960 1.00 42.54 O ATOM 1377 CB GLU A 590 4.754 1.928 -3.321 1.00 55.44 C ATOM 1378 CG GLU A 590 4.162 1.183 -4.502 1.00 54.44 C ATOM 1379 CD GLU A 590 4.865 1.520 -5.784 1.00 60.32 C ATOM 1380 OE1 GLU A 590 5.865 0.861 -6.110 1.00 33.10 O ATOM 1381 OE2 GLU A 590 4.442 2.461 -6.494 1.00 75.14 O ATOM 0 H GLU A 590 5.628 2.318 -0.727 1.00 22.42 H new ATOM 0 HA GLU A 590 3.073 1.641 -2.046 1.00 34.14 H new ATOM 0 HB2 GLU A 590 4.624 2.998 -3.483 1.00 55.44 H new ATOM 0 HB3 GLU A 590 5.827 1.738 -3.292 1.00 55.44 H new ATOM 0 HG2 GLU A 590 4.226 0.110 -4.324 1.00 54.44 H new ATOM 0 HG3 GLU A 590 3.104 1.428 -4.593 1.00 54.44 H new ATOM 1388 N ILE A 591 3.656 -0.750 -1.867 1.00 71.12 N ATOM 1389 CA ILE A 591 3.886 -2.125 -1.587 1.00 52.45 C ATOM 1390 C ILE A 591 4.189 -2.837 -2.877 1.00 1.12 C ATOM 1391 O ILE A 591 3.785 -2.380 -3.958 1.00 50.52 O ATOM 1392 CB ILE A 591 2.692 -2.800 -0.851 1.00 14.11 C ATOM 1393 CG1 ILE A 591 1.381 -2.661 -1.646 1.00 74.13 C ATOM 1394 CG2 ILE A 591 2.541 -2.233 0.556 1.00 2.34 C ATOM 1395 CD1 ILE A 591 0.186 -3.315 -0.976 1.00 25.15 C ATOM 0 H ILE A 591 2.760 -0.557 -2.314 1.00 71.12 H new ATOM 0 HA ILE A 591 4.736 -2.195 -0.908 1.00 52.45 H new ATOM 0 HB ILE A 591 2.910 -3.865 -0.772 1.00 14.11 H new ATOM 0 HG12 ILE A 591 1.168 -1.602 -1.795 1.00 74.13 H new ATOM 0 HG13 ILE A 591 1.518 -3.101 -2.634 1.00 74.13 H new ATOM 0 HG21 ILE A 591 1.701 -2.717 1.055 1.00 2.34 H new ATOM 0 HG22 ILE A 591 3.454 -2.416 1.122 1.00 2.34 H new ATOM 0 HG23 ILE A 591 2.359 -1.160 0.498 1.00 2.34 H new ATOM 0 HD11 ILE A 591 -0.700 -3.175 -1.595 1.00 25.15 H new ATOM 0 HD12 ILE A 591 0.377 -4.381 -0.851 1.00 25.15 H new ATOM 0 HD13 ILE A 591 0.022 -2.859 0.000 1.00 25.15 H new ATOM 1407 N GLY A 592 4.923 -3.888 -2.781 1.00 25.34 N ATOM 1408 CA GLY A 592 5.285 -4.635 -3.932 1.00 23.32 C ATOM 1409 C GLY A 592 4.410 -5.837 -4.099 1.00 41.22 C ATOM 1410 O GLY A 592 3.342 -5.930 -3.480 1.00 71.42 O ATOM 0 H GLY A 592 5.289 -4.254 -1.902 1.00 25.34 H new ATOM 0 HA2 GLY A 592 5.210 -4.003 -4.817 1.00 23.32 H new ATOM 0 HA3 GLY A 592 6.326 -4.949 -3.852 1.00 23.32 H new ATOM 1414 N GLU A 593 4.861 -6.743 -4.912 1.00 3.33 N ATOM 1415 CA GLU A 593 4.155 -7.956 -5.206 1.00 43.43 C ATOM 1416 C GLU A 593 4.081 -8.849 -3.968 1.00 34.42 C ATOM 1417 O GLU A 593 5.124 -9.206 -3.384 1.00 11.40 O ATOM 1418 CB GLU A 593 4.870 -8.680 -6.336 1.00 52.53 C ATOM 1419 CG GLU A 593 4.339 -10.059 -6.622 1.00 14.22 C ATOM 1420 CD GLU A 593 5.404 -10.977 -7.181 1.00 44.52 C ATOM 1421 OE1 GLU A 593 6.606 -10.815 -6.806 1.00 75.43 O ATOM 1422 OE2 GLU A 593 5.067 -11.914 -7.925 1.00 53.13 O ATOM 0 H GLU A 593 5.752 -6.659 -5.402 1.00 3.33 H new ATOM 0 HA GLU A 593 3.136 -7.717 -5.509 1.00 43.43 H new ATOM 0 HB2 GLU A 593 4.794 -8.079 -7.242 1.00 52.53 H new ATOM 0 HB3 GLU A 593 5.929 -8.755 -6.091 1.00 52.53 H new ATOM 0 HG2 GLU A 593 3.936 -10.489 -5.705 1.00 14.22 H new ATOM 0 HG3 GLU A 593 3.514 -9.989 -7.331 1.00 14.22 H new ATOM 1429 N PRO A 594 2.864 -9.186 -3.523 1.00 51.02 N ATOM 1430 CA PRO A 594 2.683 -10.088 -2.419 1.00 52.40 C ATOM 1431 C PRO A 594 3.143 -11.501 -2.800 1.00 61.41 C ATOM 1432 O PRO A 594 2.927 -11.971 -3.927 1.00 50.51 O ATOM 1433 CB PRO A 594 1.183 -10.040 -2.118 1.00 62.50 C ATOM 1434 CG PRO A 594 0.539 -9.465 -3.327 1.00 12.13 C ATOM 1435 CD PRO A 594 1.587 -8.700 -4.077 1.00 4.54 C ATOM 0 HA PRO A 594 3.273 -9.809 -1.546 1.00 52.40 H new ATOM 0 HB2 PRO A 594 0.796 -11.037 -1.907 1.00 62.50 H new ATOM 0 HB3 PRO A 594 0.981 -9.427 -1.240 1.00 62.50 H new ATOM 0 HG2 PRO A 594 0.121 -10.255 -3.951 1.00 12.13 H new ATOM 0 HG3 PRO A 594 -0.286 -8.810 -3.047 1.00 12.13 H new ATOM 0 HD2 PRO A 594 1.523 -8.885 -5.149 1.00 4.54 H new ATOM 0 HD3 PRO A 594 1.474 -7.626 -3.932 1.00 4.54 H new ATOM 1443 N ARG A 595 3.766 -12.155 -1.877 1.00 35.43 N ATOM 1444 CA ARG A 595 4.377 -13.437 -2.115 1.00 71.31 C ATOM 1445 C ARG A 595 3.792 -14.476 -1.176 1.00 70.31 C ATOM 1446 O ARG A 595 3.792 -14.292 0.048 1.00 43.52 O ATOM 1447 CB ARG A 595 5.907 -13.306 -1.948 1.00 51.25 C ATOM 1448 CG ARG A 595 6.306 -12.641 -0.641 1.00 43.32 C ATOM 1449 CD ARG A 595 7.793 -12.401 -0.514 1.00 2.02 C ATOM 1450 NE ARG A 595 8.555 -13.637 -0.404 1.00 13.04 N ATOM 1451 CZ ARG A 595 9.731 -13.752 0.217 1.00 45.55 C ATOM 1452 NH1 ARG A 595 10.233 -12.733 0.928 1.00 13.32 N ATOM 1453 NH2 ARG A 595 10.390 -14.903 0.157 1.00 14.20 N ATOM 0 H ARG A 595 3.871 -11.817 -0.921 1.00 35.43 H new ATOM 0 HA ARG A 595 4.171 -13.768 -3.133 1.00 71.31 H new ATOM 0 HB2 ARG A 595 6.359 -14.297 -1.998 1.00 51.25 H new ATOM 0 HB3 ARG A 595 6.310 -12.729 -2.781 1.00 51.25 H new ATOM 0 HG2 ARG A 595 5.784 -11.688 -0.553 1.00 43.32 H new ATOM 0 HG3 ARG A 595 5.975 -13.264 0.190 1.00 43.32 H new ATOM 0 HD2 ARG A 595 8.142 -11.840 -1.381 1.00 2.02 H new ATOM 0 HD3 ARG A 595 7.983 -11.782 0.363 1.00 2.02 H new ATOM 0 HE ARG A 595 8.162 -14.475 -0.832 1.00 13.04 H new ATOM 0 HH11 ARG A 595 9.715 -11.857 0.999 1.00 13.32 H new ATOM 0 HH12 ARG A 595 11.133 -12.833 1.398 1.00 13.32 H new ATOM 0 HH21 ARG A 595 9.997 -15.689 -0.360 1.00 14.20 H new ATOM 0 HH22 ARG A 595 11.289 -15.001 0.628 1.00 14.20 H new ATOM 1467 N LEU A 596 3.239 -15.520 -1.747 1.00 5.23 N ATOM 1468 CA LEU A 596 2.658 -16.591 -0.980 1.00 51.50 C ATOM 1469 C LEU A 596 3.797 -17.430 -0.411 1.00 45.33 C ATOM 1470 O LEU A 596 4.641 -17.936 -1.163 1.00 1.24 O ATOM 1471 CB LEU A 596 1.802 -17.491 -1.888 1.00 21.54 C ATOM 1472 CG LEU A 596 0.502 -18.081 -1.295 1.00 14.33 C ATOM 1473 CD1 LEU A 596 0.634 -18.494 0.172 1.00 11.20 C ATOM 1474 CD2 LEU A 596 -0.666 -17.148 -1.521 1.00 55.14 C ATOM 0 H LEU A 596 3.180 -15.649 -2.757 1.00 5.23 H new ATOM 0 HA LEU A 596 2.031 -16.178 -0.189 1.00 51.50 H new ATOM 0 HB2 LEU A 596 1.535 -16.916 -2.775 1.00 21.54 H new ATOM 0 HB3 LEU A 596 2.425 -18.321 -2.222 1.00 21.54 H new ATOM 0 HG LEU A 596 0.306 -19.007 -1.836 1.00 14.33 H new ATOM 0 HD11 LEU A 596 -0.315 -18.899 0.523 1.00 11.20 H new ATOM 0 HD12 LEU A 596 1.410 -19.253 0.268 1.00 11.20 H new ATOM 0 HD13 LEU A 596 0.901 -17.624 0.772 1.00 11.20 H new ATOM 0 HD21 LEU A 596 -1.569 -17.585 -1.095 1.00 55.14 H new ATOM 0 HD22 LEU A 596 -0.465 -16.190 -1.041 1.00 55.14 H new ATOM 0 HD23 LEU A 596 -0.807 -16.995 -2.591 1.00 55.14 H new ATOM 1486 N VAL A 597 3.823 -17.590 0.877 1.00 32.03 N ATOM 1487 CA VAL A 597 4.854 -18.371 1.517 1.00 71.55 C ATOM 1488 C VAL A 597 4.406 -19.817 1.607 1.00 41.21 C ATOM 1489 O VAL A 597 3.980 -20.320 2.665 1.00 33.15 O ATOM 1490 CB VAL A 597 5.180 -17.871 2.918 1.00 41.41 C ATOM 1491 CG1 VAL A 597 6.401 -18.584 3.511 1.00 71.22 C ATOM 1492 CG2 VAL A 597 5.329 -16.365 2.966 1.00 31.10 C ATOM 0 H VAL A 597 3.138 -17.188 1.517 1.00 32.03 H new ATOM 0 HA VAL A 597 5.755 -18.276 0.911 1.00 71.55 H new ATOM 0 HB VAL A 597 4.326 -18.123 3.547 1.00 41.41 H new ATOM 0 HG11 VAL A 597 6.598 -18.197 4.511 1.00 71.22 H new ATOM 0 HG12 VAL A 597 6.205 -19.655 3.568 1.00 71.22 H new ATOM 0 HG13 VAL A 597 7.269 -18.408 2.876 1.00 71.22 H new ATOM 0 HG21 VAL A 597 5.561 -16.055 3.985 1.00 31.10 H new ATOM 0 HG22 VAL A 597 6.136 -16.058 2.300 1.00 31.10 H new ATOM 0 HG23 VAL A 597 4.398 -15.897 2.647 1.00 31.10 H new ATOM 2055 N ARG A 633 -1.419 -16.526 -7.651 1.00 11.43 N ATOM 2056 CA ARG A 633 -0.593 -15.671 -6.826 1.00 31.33 C ATOM 2057 C ARG A 633 -1.414 -14.504 -6.337 1.00 12.02 C ATOM 2058 O ARG A 633 -2.361 -14.104 -6.994 1.00 61.41 O ATOM 2059 CB ARG A 633 0.599 -15.162 -7.635 1.00 71.21 C ATOM 2060 CG ARG A 633 1.390 -16.274 -8.263 1.00 21.23 C ATOM 2061 CD ARG A 633 2.558 -15.771 -9.070 1.00 64.44 C ATOM 2062 NE ARG A 633 3.147 -16.882 -9.807 1.00 32.12 N ATOM 2063 CZ ARG A 633 4.316 -17.460 -9.545 1.00 70.33 C ATOM 2064 NH1 ARG A 633 5.157 -16.926 -8.664 1.00 60.32 N ATOM 2065 NH2 ARG A 633 4.649 -18.551 -10.203 1.00 42.22 N ATOM 0 HA ARG A 633 -0.224 -16.239 -5.972 1.00 31.33 H new ATOM 0 HB2 ARG A 633 0.243 -14.489 -8.415 1.00 71.21 H new ATOM 0 HB3 ARG A 633 1.252 -14.579 -6.985 1.00 71.21 H new ATOM 0 HG2 ARG A 633 1.754 -16.942 -7.482 1.00 21.23 H new ATOM 0 HG3 ARG A 633 0.735 -16.862 -8.906 1.00 21.23 H new ATOM 0 HD2 ARG A 633 2.230 -14.994 -9.761 1.00 64.44 H new ATOM 0 HD3 ARG A 633 3.302 -15.320 -8.413 1.00 64.44 H new ATOM 0 HE ARG A 633 2.614 -17.250 -10.595 1.00 32.12 H new ATOM 0 HH11 ARG A 633 4.909 -16.063 -8.180 1.00 60.32 H new ATOM 0 HH12 ARG A 633 6.050 -17.379 -8.472 1.00 60.32 H new ATOM 0 HH21 ARG A 633 4.014 -18.939 -10.901 1.00 42.22 H new ATOM 0 HH22 ARG A 633 5.542 -19.008 -10.015 1.00 42.22 H new ATOM 2079 N PRO A 634 -1.106 -13.974 -5.160 1.00 42.45 N ATOM 2080 CA PRO A 634 -1.805 -12.817 -4.642 1.00 44.22 C ATOM 2081 C PRO A 634 -1.364 -11.563 -5.364 1.00 43.35 C ATOM 2082 O PRO A 634 -0.191 -11.417 -5.725 1.00 55.13 O ATOM 2083 CB PRO A 634 -1.416 -12.780 -3.165 1.00 11.22 C ATOM 2084 CG PRO A 634 -0.117 -13.516 -3.074 1.00 22.50 C ATOM 2085 CD PRO A 634 -0.049 -14.453 -4.246 1.00 11.10 C ATOM 0 HA PRO A 634 -2.885 -12.874 -4.780 1.00 44.22 H new ATOM 0 HB2 PRO A 634 -1.311 -11.754 -2.813 1.00 11.22 H new ATOM 0 HB3 PRO A 634 -2.179 -13.253 -2.547 1.00 11.22 H new ATOM 0 HG2 PRO A 634 0.721 -12.819 -3.091 1.00 22.50 H new ATOM 0 HG3 PRO A 634 -0.054 -14.069 -2.137 1.00 22.50 H new ATOM 0 HD2 PRO A 634 0.931 -14.424 -4.722 1.00 11.10 H new ATOM 0 HD3 PRO A 634 -0.225 -15.485 -3.941 1.00 11.10 H new ATOM 2093 N ILE A 635 -2.285 -10.682 -5.595 1.00 40.03 N ATOM 2094 CA ILE A 635 -1.990 -9.473 -6.313 1.00 73.33 C ATOM 2095 C ILE A 635 -2.558 -8.280 -5.570 1.00 41.33 C ATOM 2096 O ILE A 635 -3.023 -8.399 -4.426 1.00 25.12 O ATOM 2097 CB ILE A 635 -2.508 -9.474 -7.812 1.00 24.12 C ATOM 2098 CG1 ILE A 635 -4.040 -9.357 -7.953 1.00 24.41 C ATOM 2099 CG2 ILE A 635 -1.979 -10.660 -8.607 1.00 15.25 C ATOM 2100 CD1 ILE A 635 -4.820 -10.408 -7.277 1.00 75.22 C ATOM 0 H ILE A 635 -3.256 -10.774 -5.296 1.00 40.03 H new ATOM 0 HA ILE A 635 -0.903 -9.407 -6.367 1.00 73.33 H new ATOM 0 HB ILE A 635 -2.094 -8.562 -8.243 1.00 24.12 H new ATOM 0 HG12 ILE A 635 -4.351 -8.389 -7.561 1.00 24.41 H new ATOM 0 HG13 ILE A 635 -4.292 -9.367 -9.013 1.00 24.41 H new ATOM 0 HG21 ILE A 635 -2.362 -10.615 -9.626 1.00 15.25 H new ATOM 0 HG22 ILE A 635 -0.890 -10.628 -8.627 1.00 15.25 H new ATOM 0 HG23 ILE A 635 -2.306 -11.588 -8.137 1.00 15.25 H new ATOM 0 HD11 ILE A 635 -5.884 -10.232 -7.438 1.00 75.22 H new ATOM 0 HD12 ILE A 635 -4.547 -11.382 -7.683 1.00 75.22 H new ATOM 0 HD13 ILE A 635 -4.607 -10.388 -6.208 1.00 75.22 H new ATOM 2112 N LEU A 636 -2.522 -7.151 -6.205 1.00 21.11 N ATOM 2113 CA LEU A 636 -2.998 -5.943 -5.620 1.00 73.34 C ATOM 2114 C LEU A 636 -4.504 -5.806 -5.789 1.00 30.42 C ATOM 2115 O LEU A 636 -5.118 -6.471 -6.633 1.00 74.34 O ATOM 2116 CB LEU A 636 -2.225 -4.704 -6.168 1.00 60.13 C ATOM 2117 CG LEU A 636 -2.463 -4.196 -7.636 1.00 31.12 C ATOM 2118 CD1 LEU A 636 -2.558 -5.307 -8.669 1.00 61.31 C ATOM 2119 CD2 LEU A 636 -3.637 -3.235 -7.734 1.00 15.42 C ATOM 0 H LEU A 636 -2.158 -7.044 -7.152 1.00 21.11 H new ATOM 0 HA LEU A 636 -2.802 -5.987 -4.549 1.00 73.34 H new ATOM 0 HB2 LEU A 636 -2.441 -3.870 -5.501 1.00 60.13 H new ATOM 0 HB3 LEU A 636 -1.161 -4.921 -6.072 1.00 60.13 H new ATOM 0 HG LEU A 636 -1.561 -3.639 -7.887 1.00 31.12 H new ATOM 0 HD11 LEU A 636 -2.723 -4.874 -9.655 1.00 61.31 H new ATOM 0 HD12 LEU A 636 -1.630 -5.879 -8.674 1.00 61.31 H new ATOM 0 HD13 LEU A 636 -3.389 -5.966 -8.419 1.00 61.31 H new ATOM 0 HD21 LEU A 636 -3.759 -2.914 -8.768 1.00 15.42 H new ATOM 0 HD22 LEU A 636 -4.546 -3.736 -7.400 1.00 15.42 H new ATOM 0 HD23 LEU A 636 -3.449 -2.366 -7.104 1.00 15.42 H new ATOM 2131 N GLY A 637 -5.081 -4.974 -4.976 1.00 34.23 N ATOM 2132 CA GLY A 637 -6.482 -4.714 -5.057 1.00 64.42 C ATOM 2133 C GLY A 637 -6.788 -3.651 -6.045 1.00 12.14 C ATOM 2134 O GLY A 637 -6.850 -3.905 -7.251 1.00 2.44 O ATOM 0 H GLY A 637 -4.595 -4.459 -4.242 1.00 34.23 H new ATOM 0 HA2 GLY A 637 -7.006 -5.629 -5.333 1.00 64.42 H new ATOM 0 HA3 GLY A 637 -6.854 -4.417 -4.076 1.00 64.42 H new ATOM 2138 N GLU A 638 -6.973 -2.473 -5.577 1.00 72.13 N ATOM 2139 CA GLU A 638 -7.286 -1.407 -6.458 1.00 51.44 C ATOM 2140 C GLU A 638 -6.166 -0.391 -6.465 1.00 51.41 C ATOM 2141 O GLU A 638 -5.659 -0.010 -7.528 1.00 54.11 O ATOM 2142 CB GLU A 638 -8.605 -0.770 -6.054 1.00 55.23 C ATOM 2143 CG GLU A 638 -9.174 0.186 -7.091 1.00 23.32 C ATOM 2144 CD GLU A 638 -9.463 -0.519 -8.403 1.00 54.55 C ATOM 2145 OE1 GLU A 638 -10.566 -1.078 -8.559 1.00 65.41 O ATOM 2146 OE2 GLU A 638 -8.582 -0.557 -9.287 1.00 73.54 O ATOM 0 H GLU A 638 -6.914 -2.221 -4.591 1.00 72.13 H new ATOM 0 HA GLU A 638 -7.393 -1.796 -7.470 1.00 51.44 H new ATOM 0 HB2 GLU A 638 -9.334 -1.558 -5.863 1.00 55.23 H new ATOM 0 HB3 GLU A 638 -8.465 -0.231 -5.117 1.00 55.23 H new ATOM 0 HG2 GLU A 638 -10.091 0.634 -6.709 1.00 23.32 H new ATOM 0 HG3 GLU A 638 -8.469 0.999 -7.262 1.00 23.32 H new ATOM 2153 N HIS A 639 -5.739 0.013 -5.299 1.00 15.11 N ATOM 2154 CA HIS A 639 -4.734 1.037 -5.212 1.00 3.10 C ATOM 2155 C HIS A 639 -3.595 0.676 -4.274 1.00 34.51 C ATOM 2156 O HIS A 639 -3.787 0.428 -3.069 1.00 45.11 O ATOM 2157 CB HIS A 639 -5.346 2.417 -4.858 1.00 32.45 C ATOM 2158 CG HIS A 639 -6.142 2.457 -3.579 1.00 54.51 C ATOM 2159 ND1 HIS A 639 -5.665 2.954 -2.388 1.00 61.11 N ATOM 2160 CD2 HIS A 639 -7.413 2.063 -3.332 1.00 20.21 C ATOM 2161 CE1 HIS A 639 -6.633 2.848 -1.482 1.00 13.23 C ATOM 2162 NE2 HIS A 639 -7.718 2.311 -2.003 1.00 22.14 N ATOM 0 H HIS A 639 -6.068 -0.348 -4.403 1.00 15.11 H new ATOM 0 HA HIS A 639 -4.298 1.113 -6.208 1.00 3.10 H new ATOM 0 HB2 HIS A 639 -4.540 3.147 -4.788 1.00 32.45 H new ATOM 0 HB3 HIS A 639 -5.991 2.732 -5.678 1.00 32.45 H new ATOM 0 HD2 HIS A 639 -8.084 1.625 -4.056 1.00 20.21 H new ATOM 0 HE1 HIS A 639 -6.542 3.161 -0.453 1.00 13.23 H new ATOM 0 HE2 HIS A 639 -8.599 2.118 -1.527 1.00 22.14 H new ATOM 2170 N THR A 640 -2.427 0.616 -4.829 1.00 25.03 N ATOM 2171 CA THR A 640 -1.247 0.427 -4.078 1.00 42.01 C ATOM 2172 C THR A 640 -0.411 1.676 -4.229 1.00 65.14 C ATOM 2173 O THR A 640 0.359 1.817 -5.174 1.00 34.12 O ATOM 2174 CB THR A 640 -0.480 -0.811 -4.558 1.00 13.24 C ATOM 2175 OG1 THR A 640 -0.335 -0.755 -5.984 1.00 31.43 O ATOM 2176 CG2 THR A 640 -1.238 -2.064 -4.180 1.00 24.01 C ATOM 0 H THR A 640 -2.273 0.699 -5.834 1.00 25.03 H new ATOM 0 HA THR A 640 -1.489 0.257 -3.029 1.00 42.01 H new ATOM 0 HB THR A 640 0.503 -0.831 -4.087 1.00 13.24 H new ATOM 0 HG1 THR A 640 -0.045 0.143 -6.248 1.00 31.43 H new ATOM 0 HG21 THR A 640 -0.688 -2.940 -4.524 1.00 24.01 H new ATOM 0 HG22 THR A 640 -1.350 -2.108 -3.097 1.00 24.01 H new ATOM 0 HG23 THR A 640 -2.223 -2.048 -4.647 1.00 24.01 H new ATOM 2184 N LYS A 641 -0.618 2.580 -3.329 1.00 2.44 N ATOM 2185 CA LYS A 641 -0.018 3.880 -3.331 1.00 4.34 C ATOM 2186 C LYS A 641 -0.439 4.541 -2.062 1.00 21.10 C ATOM 2187 O LYS A 641 -1.582 4.380 -1.644 1.00 4.20 O ATOM 2188 CB LYS A 641 -0.550 4.718 -4.534 1.00 35.04 C ATOM 2189 CG LYS A 641 -0.149 6.202 -4.538 1.00 12.21 C ATOM 2190 CD LYS A 641 1.343 6.416 -4.734 1.00 20.35 C ATOM 2191 CE LYS A 641 1.702 7.893 -4.628 1.00 71.52 C ATOM 2192 NZ LYS A 641 0.993 8.754 -5.605 1.00 22.41 N ATOM 0 H LYS A 641 -1.239 2.428 -2.534 1.00 2.44 H new ATOM 0 HA LYS A 641 1.066 3.805 -3.415 1.00 4.34 H new ATOM 0 HB2 LYS A 641 -0.194 4.261 -5.458 1.00 35.04 H new ATOM 0 HB3 LYS A 641 -1.638 4.654 -4.545 1.00 35.04 H new ATOM 0 HG2 LYS A 641 -0.691 6.717 -5.331 1.00 12.21 H new ATOM 0 HG3 LYS A 641 -0.455 6.657 -3.596 1.00 12.21 H new ATOM 0 HD2 LYS A 641 1.897 5.849 -3.986 1.00 20.35 H new ATOM 0 HD3 LYS A 641 1.644 6.034 -5.710 1.00 20.35 H new ATOM 0 HE2 LYS A 641 1.475 8.241 -3.620 1.00 71.52 H new ATOM 0 HE3 LYS A 641 2.777 8.007 -4.770 1.00 71.52 H new ATOM 0 HZ1 LYS A 641 1.337 9.732 -5.519 1.00 22.41 H new ATOM 0 HZ2 LYS A 641 1.173 8.407 -6.569 1.00 22.41 H new ATOM 0 HZ3 LYS A 641 -0.029 8.728 -5.413 1.00 22.41 H new ATOM 2206 N LEU A 642 0.463 5.187 -1.429 1.00 40.14 N ATOM 2207 CA LEU A 642 0.156 5.977 -0.293 1.00 11.00 C ATOM 2208 C LEU A 642 0.981 7.223 -0.361 1.00 34.10 C ATOM 2209 O LEU A 642 2.190 7.185 -0.169 1.00 64.32 O ATOM 2210 CB LEU A 642 0.453 5.252 0.994 1.00 73.13 C ATOM 2211 CG LEU A 642 0.134 6.032 2.258 1.00 33.23 C ATOM 2212 CD1 LEU A 642 -1.357 6.183 2.461 1.00 11.12 C ATOM 2213 CD2 LEU A 642 0.782 5.411 3.455 1.00 14.32 C ATOM 0 H LEU A 642 1.450 5.185 -1.686 1.00 40.14 H new ATOM 0 HA LEU A 642 -0.910 6.204 -0.301 1.00 11.00 H new ATOM 0 HB2 LEU A 642 -0.112 4.320 1.008 1.00 73.13 H new ATOM 0 HB3 LEU A 642 1.509 4.984 1.007 1.00 73.13 H new ATOM 0 HG LEU A 642 0.548 7.033 2.134 1.00 33.23 H new ATOM 0 HD11 LEU A 642 -1.545 6.746 3.375 1.00 11.12 H new ATOM 0 HD12 LEU A 642 -1.788 6.714 1.612 1.00 11.12 H new ATOM 0 HD13 LEU A 642 -1.815 5.197 2.542 1.00 11.12 H new ATOM 0 HD21 LEU A 642 0.536 5.991 4.344 1.00 14.32 H new ATOM 0 HD22 LEU A 642 0.420 4.390 3.576 1.00 14.32 H new ATOM 0 HD23 LEU A 642 1.863 5.399 3.318 1.00 14.32 H new ATOM 2225 N GLU A 643 0.357 8.283 -0.699 1.00 22.43 N ATOM 2226 CA GLU A 643 1.000 9.539 -0.773 1.00 61.33 C ATOM 2227 C GLU A 643 0.775 10.221 0.561 1.00 20.14 C ATOM 2228 O GLU A 643 -0.349 10.606 0.898 1.00 5.23 O ATOM 2229 CB GLU A 643 0.407 10.319 -1.941 1.00 12.23 C ATOM 2230 CG GLU A 643 1.193 11.527 -2.378 1.00 70.13 C ATOM 2231 CD GLU A 643 0.757 11.990 -3.737 1.00 33.13 C ATOM 2232 OE1 GLU A 643 1.111 11.315 -4.737 1.00 54.43 O ATOM 2233 OE2 GLU A 643 0.041 13.008 -3.847 1.00 64.13 O ATOM 0 H GLU A 643 -0.635 8.306 -0.937 1.00 22.43 H new ATOM 0 HA GLU A 643 2.072 9.460 -0.953 1.00 61.33 H new ATOM 0 HB2 GLU A 643 0.306 9.645 -2.792 1.00 12.23 H new ATOM 0 HB3 GLU A 643 -0.598 10.640 -1.668 1.00 12.23 H new ATOM 0 HG2 GLU A 643 1.060 12.332 -1.656 1.00 70.13 H new ATOM 0 HG3 GLU A 643 2.256 11.287 -2.396 1.00 70.13 H new ATOM 2240 N VAL A 644 1.805 10.253 1.363 1.00 4.45 N ATOM 2241 CA VAL A 644 1.711 10.817 2.679 1.00 45.24 C ATOM 2242 C VAL A 644 2.141 12.252 2.642 1.00 1.31 C ATOM 2243 O VAL A 644 3.333 12.538 2.486 1.00 10.13 O ATOM 2244 CB VAL A 644 2.622 10.074 3.659 1.00 31.22 C ATOM 2245 CG1 VAL A 644 2.407 10.581 5.078 1.00 34.33 C ATOM 2246 CG2 VAL A 644 2.405 8.576 3.557 1.00 21.34 C ATOM 0 H VAL A 644 2.728 9.890 1.123 1.00 4.45 H new ATOM 0 HA VAL A 644 0.676 10.731 3.008 1.00 45.24 H new ATOM 0 HB VAL A 644 3.660 10.273 3.394 1.00 31.22 H new ATOM 0 HG11 VAL A 644 3.063 10.041 5.761 1.00 34.33 H new ATOM 0 HG12 VAL A 644 2.635 11.646 5.122 1.00 34.33 H new ATOM 0 HG13 VAL A 644 1.369 10.419 5.369 1.00 34.33 H new ATOM 0 HG21 VAL A 644 3.061 8.065 4.261 1.00 21.34 H new ATOM 0 HG22 VAL A 644 1.367 8.342 3.793 1.00 21.34 H new ATOM 0 HG23 VAL A 644 2.631 8.244 2.544 1.00 21.34 H new ATOM 2256 N ILE A 645 1.212 13.144 2.736 1.00 72.22 N ATOM 2257 CA ILE A 645 1.535 14.533 2.728 1.00 71.43 C ATOM 2258 C ILE A 645 1.783 14.967 4.165 1.00 54.42 C ATOM 2259 O ILE A 645 0.955 14.717 5.056 1.00 41.11 O ATOM 2260 CB ILE A 645 0.437 15.434 2.062 1.00 4.11 C ATOM 2261 CG1 ILE A 645 0.197 15.077 0.565 1.00 53.02 C ATOM 2262 CG2 ILE A 645 0.817 16.898 2.179 1.00 41.13 C ATOM 2263 CD1 ILE A 645 -0.605 13.810 0.315 1.00 32.14 C ATOM 0 H ILE A 645 0.217 12.935 2.820 1.00 72.22 H new ATOM 0 HA ILE A 645 2.426 14.667 2.115 1.00 71.43 H new ATOM 0 HB ILE A 645 -0.493 15.245 2.598 1.00 4.11 H new ATOM 0 HG12 ILE A 645 -0.317 15.912 0.088 1.00 53.02 H new ATOM 0 HG13 ILE A 645 1.165 14.976 0.074 1.00 53.02 H new ATOM 0 HG21 ILE A 645 0.047 17.512 1.713 1.00 41.13 H new ATOM 0 HG22 ILE A 645 0.908 17.167 3.231 1.00 41.13 H new ATOM 0 HG23 ILE A 645 1.770 17.068 1.677 1.00 41.13 H new ATOM 0 HD11 ILE A 645 -0.714 13.654 -0.758 1.00 32.14 H new ATOM 0 HD12 ILE A 645 -0.086 12.958 0.755 1.00 32.14 H new ATOM 0 HD13 ILE A 645 -1.591 13.908 0.769 1.00 32.14 H new ATOM 2275 N ILE A 646 2.917 15.563 4.399 1.00 50.05 N ATOM 2276 CA ILE A 646 3.284 15.962 5.733 1.00 74.24 C ATOM 2277 C ILE A 646 3.107 17.450 5.834 1.00 13.21 C ATOM 2278 O ILE A 646 3.384 18.175 4.868 1.00 55.33 O ATOM 2279 CB ILE A 646 4.770 15.602 6.112 1.00 14.31 C ATOM 2280 CG1 ILE A 646 5.174 14.207 5.591 1.00 1.55 C ATOM 2281 CG2 ILE A 646 4.971 15.661 7.633 1.00 23.30 C ATOM 2282 CD1 ILE A 646 5.603 14.197 4.130 1.00 5.20 C ATOM 0 H ILE A 646 3.608 15.785 3.682 1.00 50.05 H new ATOM 0 HA ILE A 646 2.644 15.418 6.427 1.00 74.24 H new ATOM 0 HB ILE A 646 5.410 16.343 5.633 1.00 14.31 H new ATOM 0 HG12 ILE A 646 5.991 13.824 6.202 1.00 1.55 H new ATOM 0 HG13 ILE A 646 4.334 13.525 5.718 1.00 1.55 H new ATOM 0 HG21 ILE A 646 6.004 15.409 7.874 1.00 23.30 H new ATOM 0 HG22 ILE A 646 4.750 16.667 7.990 1.00 23.30 H new ATOM 0 HG23 ILE A 646 4.302 14.949 8.116 1.00 23.30 H new ATOM 0 HD11 ILE A 646 5.872 13.182 3.837 1.00 5.20 H new ATOM 0 HD12 ILE A 646 4.781 14.549 3.507 1.00 5.20 H new ATOM 0 HD13 ILE A 646 6.464 14.853 3.999 1.00 5.20 H new ATOM 2294 N GLU A 647 2.607 17.896 6.956 1.00 25.52 N ATOM 2295 CA GLU A 647 2.391 19.287 7.201 1.00 15.33 C ATOM 2296 C GLU A 647 2.319 19.569 8.698 1.00 54.23 C ATOM 2297 O GLU A 647 1.800 18.731 9.467 1.00 53.44 O ATOM 2298 CB GLU A 647 1.147 19.795 6.423 1.00 40.00 C ATOM 2299 CG GLU A 647 -0.095 18.887 6.482 1.00 74.41 C ATOM 2300 CD GLU A 647 -1.206 19.369 5.557 1.00 11.24 C ATOM 2301 OE1 GLU A 647 -1.821 20.427 5.825 1.00 3.34 O ATOM 2302 OE2 GLU A 647 -1.482 18.705 4.527 1.00 34.44 O ATOM 0 H GLU A 647 2.337 17.291 7.732 1.00 25.52 H new ATOM 0 HA GLU A 647 3.244 19.851 6.823 1.00 15.33 H new ATOM 0 HB2 GLU A 647 0.875 20.777 6.811 1.00 40.00 H new ATOM 0 HB3 GLU A 647 1.426 19.931 5.378 1.00 40.00 H new ATOM 0 HG2 GLU A 647 0.187 17.870 6.209 1.00 74.41 H new ATOM 0 HG3 GLU A 647 -0.468 18.850 7.506 1.00 74.41 H new ATOM 2309 N GLU A 648 2.932 20.703 9.105 1.00 3.50 N ATOM 2310 CA GLU A 648 2.935 21.217 10.487 1.00 62.01 C ATOM 2311 C GLU A 648 1.566 21.064 11.114 1.00 42.03 C ATOM 2312 O GLU A 648 0.554 21.369 10.463 1.00 62.34 O ATOM 2313 CB GLU A 648 3.401 22.714 10.541 1.00 12.11 C ATOM 2314 CG GLU A 648 4.943 22.991 10.583 1.00 51.54 C ATOM 2315 CD GLU A 648 5.756 22.404 9.438 1.00 23.54 C ATOM 2316 OE1 GLU A 648 5.258 21.773 8.582 1.00 34.21 O ATOM 2317 OE2 GLU A 648 6.985 22.455 9.404 1.00 73.55 O ATOM 0 H GLU A 648 3.452 21.300 8.461 1.00 3.50 H new ATOM 0 HA GLU A 648 3.649 20.626 11.060 1.00 62.01 H new ATOM 0 HB2 GLU A 648 2.991 23.225 9.670 1.00 12.11 H new ATOM 0 HB3 GLU A 648 2.953 23.174 11.421 1.00 12.11 H new ATOM 0 HG2 GLU A 648 5.098 24.070 10.597 1.00 51.54 H new ATOM 0 HG3 GLU A 648 5.337 22.600 11.521 1.00 51.54 H new ATOM 2324 N SER A 649 1.574 20.612 12.370 1.00 34.33 N ATOM 2325 CA SER A 649 0.411 20.209 13.156 1.00 50.41 C ATOM 2326 C SER A 649 -0.856 21.004 12.853 1.00 10.52 C ATOM 2327 O SER A 649 -0.997 22.188 13.203 1.00 63.01 O ATOM 2328 CB SER A 649 0.744 20.243 14.657 1.00 4.40 C ATOM 2329 OG SER A 649 -0.349 19.790 15.461 1.00 24.14 O ATOM 0 H SER A 649 2.444 20.513 12.894 1.00 34.33 H new ATOM 0 HA SER A 649 0.183 19.186 12.857 1.00 50.41 H new ATOM 0 HB2 SER A 649 1.617 19.619 14.848 1.00 4.40 H new ATOM 0 HB3 SER A 649 1.009 21.260 14.946 1.00 4.40 H new ATOM 0 HG SER A 649 -0.096 19.826 16.407 1.00 24.14 H new