USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 508 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 511 LYS NZ :NH3+ -165:sc= -0.0118 (180deg=-0.237) USER MOD Set 2.1: A 509 HIS : no HD1:sc= -1.54 X(o=-0.43,f=-0.22) USER MOD Set 2.2: A 510 LYS NZ :NH3+ 154:sc= 1.11 (180deg=0.725) USER MOD Set 3.1: A 482 ASN : amide:sc= 1.37 K(o=2,f=-7.9!) USER MOD Set 3.2: A 483 HIS : no HE2:sc= 0.623 K(o=2,f=-2.8!) USER MOD Set 4.1: A 446 CYS SG : rot -170:sc= -1.21 USER MOD Set 4.2: A 494 GLN : amide:sc= 0.752 K(o=-0.46,f=-4.3!) USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A 475 HIS : no HD1:sc= -0.0186 K(o=-0.019,f=-0.66) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 479 MET CE :methyl -167:sc= -0.0521 (180deg=-0.319) USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl -152:sc= -0.749 (180deg=-1.26) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 503 MET CE :methyl 166:sc= -0.0646 (180deg=-0.332) USER MOD Single : A 506 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.52) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.0303 K(o=-0.03,f=-0.61) USER MOD Single : A 513 MET CE :methyl 143:sc=-0.00976 (180deg=-1.83!) USER MOD Single : A 514 LYS NZ :NH3+ -125:sc= 0.354 (180deg=-1.16!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.3!) USER MOD Single : A 523 CYS SG : rot 62:sc= -0.468 USER MOD Single : A 524 SER OG : rot 180:sc= 0.266 USER MOD Single : A 528 MET CE :methyl 160:sc= 0 (180deg=-0.113) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.931 8.688 -4.192 1.00 33.15 N ATOM 77 CA VAL A 443 1.837 9.101 -3.323 1.00 71.42 C ATOM 78 C VAL A 443 1.129 7.893 -2.674 1.00 3.30 C ATOM 79 O VAL A 443 0.987 6.805 -3.277 1.00 30.30 O ATOM 80 CB VAL A 443 0.812 9.989 -4.096 1.00 20.41 C ATOM 81 CG1 VAL A 443 -0.277 10.541 -3.176 1.00 12.51 C ATOM 82 CG2 VAL A 443 1.521 11.131 -4.815 1.00 52.32 C ATOM 0 HA VAL A 443 2.273 9.696 -2.520 1.00 71.42 H new ATOM 0 HB VAL A 443 0.328 9.350 -4.835 1.00 20.41 H new ATOM 0 HG11 VAL A 443 -0.968 11.153 -3.756 1.00 12.51 H new ATOM 0 HG12 VAL A 443 -0.821 9.714 -2.719 1.00 12.51 H new ATOM 0 HG13 VAL A 443 0.180 11.150 -2.396 1.00 12.51 H new ATOM 0 HG21 VAL A 443 0.788 11.737 -5.347 1.00 52.32 H new ATOM 0 HG22 VAL A 443 2.044 11.751 -4.087 1.00 52.32 H new ATOM 0 HG23 VAL A 443 2.239 10.723 -5.526 1.00 52.32 H new ATOM 92 N ARG A 444 0.750 8.072 -1.434 1.00 11.41 N ATOM 93 CA ARG A 444 0.080 7.062 -0.668 1.00 74.03 C ATOM 94 C ARG A 444 -1.412 7.178 -0.855 1.00 1.21 C ATOM 95 O ARG A 444 -2.144 7.626 0.023 1.00 61.24 O ATOM 96 CB ARG A 444 0.509 7.134 0.797 1.00 11.50 C ATOM 97 CG ARG A 444 2.006 6.938 0.954 1.00 44.11 C ATOM 98 CD ARG A 444 2.485 7.107 2.375 1.00 70.51 C ATOM 99 NE ARG A 444 3.958 6.997 2.446 1.00 53.34 N ATOM 100 CZ ARG A 444 4.717 7.357 3.490 1.00 14.11 C ATOM 101 NH1 ARG A 444 4.154 7.749 4.618 1.00 54.41 N ATOM 102 NH2 ARG A 444 6.045 7.292 3.406 1.00 71.10 N ATOM 0 H ARG A 444 0.903 8.941 -0.923 1.00 11.41 H new ATOM 0 HA ARG A 444 0.368 6.074 -1.026 1.00 74.03 H new ATOM 0 HB2 ARG A 444 0.223 8.100 1.213 1.00 11.50 H new ATOM 0 HB3 ARG A 444 -0.020 6.372 1.369 1.00 11.50 H new ATOM 0 HG2 ARG A 444 2.273 5.941 0.604 1.00 44.11 H new ATOM 0 HG3 ARG A 444 2.528 7.651 0.315 1.00 44.11 H new ATOM 0 HD2 ARG A 444 2.169 8.077 2.758 1.00 70.51 H new ATOM 0 HD3 ARG A 444 2.028 6.349 3.011 1.00 70.51 H new ATOM 0 HE ARG A 444 4.437 6.614 1.631 1.00 53.34 H new ATOM 0 HH11 ARG A 444 3.138 7.779 4.697 1.00 54.41 H new ATOM 0 HH12 ARG A 444 4.736 8.022 5.410 1.00 54.41 H new ATOM 0 HH21 ARG A 444 6.486 6.968 2.546 1.00 71.10 H new ATOM 0 HH22 ARG A 444 6.620 7.567 4.202 1.00 71.10 H new ATOM 116 N ASP A 445 -1.833 6.832 -2.044 1.00 72.14 N ATOM 117 CA ASP A 445 -3.240 6.919 -2.438 1.00 12.53 C ATOM 118 C ASP A 445 -3.741 5.581 -2.896 1.00 34.50 C ATOM 119 O ASP A 445 -4.776 5.479 -3.541 1.00 25.33 O ATOM 120 CB ASP A 445 -3.488 7.979 -3.550 1.00 3.24 C ATOM 121 CG ASP A 445 -2.758 7.707 -4.863 1.00 21.12 C ATOM 122 OD1 ASP A 445 -1.616 8.176 -5.042 1.00 33.03 O ATOM 123 OD2 ASP A 445 -3.334 7.064 -5.765 1.00 24.22 O ATOM 0 H ASP A 445 -1.218 6.479 -2.778 1.00 72.14 H new ATOM 0 HA ASP A 445 -3.792 7.237 -1.553 1.00 12.53 H new ATOM 0 HB2 ASP A 445 -4.558 8.033 -3.749 1.00 3.24 H new ATOM 0 HB3 ASP A 445 -3.183 8.956 -3.176 1.00 3.24 H new ATOM 128 N CYS A 446 -3.051 4.549 -2.537 1.00 32.32 N ATOM 129 CA CYS A 446 -3.469 3.254 -2.931 1.00 75.50 C ATOM 130 C CYS A 446 -3.887 2.475 -1.720 1.00 23.21 C ATOM 131 O CYS A 446 -3.534 2.811 -0.599 1.00 24.15 O ATOM 132 CB CYS A 446 -2.381 2.556 -3.720 1.00 54.55 C ATOM 133 SG CYS A 446 -1.875 3.497 -5.178 1.00 25.21 S ATOM 0 H CYS A 446 -2.201 4.581 -1.975 1.00 32.32 H new ATOM 0 HA CYS A 446 -4.331 3.332 -3.594 1.00 75.50 H new ATOM 0 HB2 CYS A 446 -1.516 2.395 -3.077 1.00 54.55 H new ATOM 0 HB3 CYS A 446 -2.735 1.573 -4.030 1.00 54.55 H new ATOM 0 HG CYS A 446 -1.102 2.763 -5.921 1.00 25.21 H new ATOM 139 N ILE A 447 -4.691 1.507 -1.924 1.00 3.23 N ATOM 140 CA ILE A 447 -5.189 0.709 -0.873 1.00 14.35 C ATOM 141 C ILE A 447 -4.971 -0.738 -1.227 1.00 15.45 C ATOM 142 O ILE A 447 -5.162 -1.132 -2.368 1.00 72.23 O ATOM 143 CB ILE A 447 -6.707 0.914 -0.690 1.00 75.31 C ATOM 144 CG1 ILE A 447 -7.134 2.330 -1.115 1.00 3.22 C ATOM 145 CG2 ILE A 447 -7.057 0.678 0.757 1.00 11.15 C ATOM 146 CD1 ILE A 447 -8.587 2.677 -0.818 1.00 3.12 C ATOM 0 H ILE A 447 -5.031 1.239 -2.848 1.00 3.23 H new ATOM 0 HA ILE A 447 -4.671 0.988 0.045 1.00 14.35 H new ATOM 0 HB ILE A 447 -7.240 0.206 -1.325 1.00 75.31 H new ATOM 0 HG12 ILE A 447 -6.493 3.054 -0.612 1.00 3.22 H new ATOM 0 HG13 ILE A 447 -6.961 2.440 -2.185 1.00 3.22 H new ATOM 0 HG21 ILE A 447 -8.128 0.820 0.900 1.00 11.15 H new ATOM 0 HG22 ILE A 447 -6.785 -0.340 1.036 1.00 11.15 H new ATOM 0 HG23 ILE A 447 -6.511 1.383 1.383 1.00 11.15 H new ATOM 0 HD11 ILE A 447 -8.794 3.693 -1.153 1.00 3.12 H new ATOM 0 HD12 ILE A 447 -9.242 1.982 -1.343 1.00 3.12 H new ATOM 0 HD13 ILE A 447 -8.766 2.605 0.255 1.00 3.12 H new ATOM 158 N ARG A 448 -4.580 -1.508 -0.277 1.00 41.02 N ATOM 159 CA ARG A 448 -4.415 -2.904 -0.460 1.00 34.03 C ATOM 160 C ARG A 448 -5.532 -3.580 0.281 1.00 30.05 C ATOM 161 O ARG A 448 -5.698 -3.368 1.486 1.00 10.41 O ATOM 162 CB ARG A 448 -3.066 -3.383 0.083 1.00 61.03 C ATOM 163 CG ARG A 448 -2.915 -4.899 0.060 1.00 73.11 C ATOM 164 CD ARG A 448 -1.585 -5.366 0.641 1.00 33.32 C ATOM 165 NE ARG A 448 -1.329 -4.869 2.021 1.00 23.12 N ATOM 166 CZ ARG A 448 -1.913 -5.322 3.165 1.00 52.24 C ATOM 167 NH1 ARG A 448 -2.996 -6.114 3.125 1.00 13.31 N ATOM 168 NH2 ARG A 448 -1.423 -4.940 4.334 1.00 42.32 N ATOM 0 H ARG A 448 -4.362 -1.181 0.664 1.00 41.02 H new ATOM 0 HA ARG A 448 -4.437 -3.145 -1.523 1.00 34.03 H new ATOM 0 HB2 ARG A 448 -2.265 -2.935 -0.505 1.00 61.03 H new ATOM 0 HB3 ARG A 448 -2.947 -3.028 1.107 1.00 61.03 H new ATOM 0 HG2 ARG A 448 -3.732 -5.350 0.624 1.00 73.11 H new ATOM 0 HG3 ARG A 448 -3.003 -5.253 -0.967 1.00 73.11 H new ATOM 0 HD2 ARG A 448 -1.563 -6.456 0.647 1.00 33.32 H new ATOM 0 HD3 ARG A 448 -0.777 -5.035 -0.011 1.00 33.32 H new ATOM 0 HE ARG A 448 -0.649 -4.115 2.119 1.00 23.12 H new ATOM 0 HH11 ARG A 448 -3.396 -6.387 2.227 1.00 13.31 H new ATOM 0 HH12 ARG A 448 -3.419 -6.443 3.993 1.00 13.31 H new ATOM 0 HH21 ARG A 448 -0.618 -4.314 4.370 1.00 42.32 H new ATOM 0 HH22 ARG A 448 -1.850 -5.271 5.199 1.00 42.32 H new ATOM 182 N LEU A 449 -6.312 -4.325 -0.417 1.00 63.40 N ATOM 183 CA LEU A 449 -7.383 -5.029 0.188 1.00 44.32 C ATOM 184 C LEU A 449 -6.924 -6.440 0.374 1.00 43.02 C ATOM 185 O LEU A 449 -6.147 -6.943 -0.434 1.00 15.53 O ATOM 186 CB LEU A 449 -8.618 -5.060 -0.703 1.00 21.03 C ATOM 187 CG LEU A 449 -9.042 -3.770 -1.407 1.00 70.24 C ATOM 188 CD1 LEU A 449 -10.397 -3.960 -2.047 1.00 1.33 C ATOM 189 CD2 LEU A 449 -9.062 -2.582 -0.474 1.00 63.15 C ATOM 0 H LEU A 449 -6.225 -4.463 -1.424 1.00 63.40 H new ATOM 0 HA LEU A 449 -7.648 -4.537 1.123 1.00 44.32 H new ATOM 0 HB2 LEU A 449 -8.455 -5.818 -1.469 1.00 21.03 H new ATOM 0 HB3 LEU A 449 -9.457 -5.397 -0.095 1.00 21.03 H new ATOM 0 HG LEU A 449 -8.299 -3.555 -2.175 1.00 70.24 H new ATOM 0 HD11 LEU A 449 -10.695 -3.039 -2.547 1.00 1.33 H new ATOM 0 HD12 LEU A 449 -10.345 -4.769 -2.776 1.00 1.33 H new ATOM 0 HD13 LEU A 449 -11.130 -4.210 -1.280 1.00 1.33 H new ATOM 0 HD21 LEU A 449 -9.369 -1.693 -1.024 1.00 63.15 H new ATOM 0 HD22 LEU A 449 -9.766 -2.768 0.337 1.00 63.15 H new ATOM 0 HD23 LEU A 449 -8.065 -2.427 -0.061 1.00 63.15 H new ATOM 201 N ARG A 450 -7.346 -7.055 1.414 1.00 54.44 N ATOM 202 CA ARG A 450 -7.019 -8.444 1.638 1.00 11.24 C ATOM 203 C ARG A 450 -8.209 -9.167 2.220 1.00 11.14 C ATOM 204 O ARG A 450 -8.904 -8.637 3.091 1.00 23.44 O ATOM 205 CB ARG A 450 -5.782 -8.581 2.538 1.00 33.22 C ATOM 206 CG ARG A 450 -5.335 -10.014 2.784 1.00 73.43 C ATOM 207 CD ARG A 450 -4.071 -10.087 3.632 1.00 12.23 C ATOM 208 NE ARG A 450 -4.234 -9.460 4.953 1.00 43.55 N ATOM 209 CZ ARG A 450 -3.942 -10.038 6.130 1.00 62.01 C ATOM 210 NH1 ARG A 450 -3.421 -11.261 6.179 1.00 1.54 N ATOM 211 NH2 ARG A 450 -4.154 -9.380 7.254 1.00 34.11 N ATOM 0 H ARG A 450 -7.924 -6.630 2.139 1.00 54.44 H new ATOM 0 HA ARG A 450 -6.774 -8.905 0.681 1.00 11.24 H new ATOM 0 HB2 ARG A 450 -4.957 -8.029 2.087 1.00 33.22 H new ATOM 0 HB3 ARG A 450 -5.993 -8.110 3.498 1.00 33.22 H new ATOM 0 HG2 ARG A 450 -6.136 -10.562 3.281 1.00 73.43 H new ATOM 0 HG3 ARG A 450 -5.158 -10.506 1.828 1.00 73.43 H new ATOM 0 HD2 ARG A 450 -3.787 -11.131 3.763 1.00 12.23 H new ATOM 0 HD3 ARG A 450 -3.254 -9.598 3.101 1.00 12.23 H new ATOM 0 HE ARG A 450 -4.599 -8.508 4.977 1.00 43.55 H new ATOM 0 HH11 ARG A 450 -3.238 -11.772 5.316 1.00 1.54 H new ATOM 0 HH12 ARG A 450 -3.204 -11.687 7.080 1.00 1.54 H new ATOM 0 HH21 ARG A 450 -4.538 -8.436 7.227 1.00 34.11 H new ATOM 0 HH22 ARG A 450 -3.933 -9.816 8.149 1.00 34.11 H new ATOM 225 N GLY A 451 -8.457 -10.342 1.727 1.00 75.12 N ATOM 226 CA GLY A 451 -9.555 -11.137 2.209 1.00 60.40 C ATOM 227 C GLY A 451 -10.816 -10.967 1.387 1.00 53.02 C ATOM 228 O GLY A 451 -11.918 -11.020 1.922 1.00 11.23 O ATOM 0 H GLY A 451 -7.911 -10.778 0.984 1.00 75.12 H new ATOM 0 HA2 GLY A 451 -9.265 -12.188 2.205 1.00 60.40 H new ATOM 0 HA3 GLY A 451 -9.764 -10.868 3.244 1.00 60.40 H new ATOM 232 N LEU A 452 -10.663 -10.774 0.102 1.00 41.22 N ATOM 233 CA LEU A 452 -11.798 -10.618 -0.794 1.00 21.42 C ATOM 234 C LEU A 452 -12.479 -11.962 -1.062 1.00 15.10 C ATOM 235 O LEU A 452 -11.828 -13.018 -0.988 1.00 13.25 O ATOM 236 CB LEU A 452 -11.373 -9.988 -2.125 1.00 42.42 C ATOM 237 CG LEU A 452 -10.862 -8.552 -2.076 1.00 21.55 C ATOM 238 CD1 LEU A 452 -10.466 -8.109 -3.462 1.00 10.03 C ATOM 239 CD2 LEU A 452 -11.925 -7.617 -1.513 1.00 43.55 C ATOM 0 H LEU A 452 -9.755 -10.719 -0.359 1.00 41.22 H new ATOM 0 HA LEU A 452 -12.507 -9.954 -0.300 1.00 21.42 H new ATOM 0 HB2 LEU A 452 -10.593 -10.611 -2.562 1.00 42.42 H new ATOM 0 HB3 LEU A 452 -12.225 -10.022 -2.804 1.00 42.42 H new ATOM 0 HG LEU A 452 -9.993 -8.513 -1.419 1.00 21.55 H new ATOM 0 HD11 LEU A 452 -10.101 -7.083 -3.426 1.00 10.03 H new ATOM 0 HD12 LEU A 452 -9.679 -8.761 -3.841 1.00 10.03 H new ATOM 0 HD13 LEU A 452 -11.331 -8.163 -4.122 1.00 10.03 H new ATOM 0 HD21 LEU A 452 -11.537 -6.599 -1.488 1.00 43.55 H new ATOM 0 HD22 LEU A 452 -12.812 -7.652 -2.145 1.00 43.55 H new ATOM 0 HD23 LEU A 452 -12.187 -7.931 -0.502 1.00 43.55 H new ATOM 251 N PRO A 453 -13.808 -11.945 -1.322 1.00 51.45 N ATOM 252 CA PRO A 453 -14.555 -13.134 -1.673 1.00 12.11 C ATOM 253 C PRO A 453 -14.093 -13.733 -2.978 1.00 61.34 C ATOM 254 O PRO A 453 -13.568 -13.042 -3.876 1.00 61.41 O ATOM 255 CB PRO A 453 -15.990 -12.656 -1.857 1.00 51.40 C ATOM 256 CG PRO A 453 -16.060 -11.333 -1.210 1.00 43.12 C ATOM 257 CD PRO A 453 -14.675 -10.767 -1.246 1.00 20.04 C ATOM 0 HA PRO A 453 -14.432 -13.897 -0.904 1.00 12.11 H new ATOM 0 HB2 PRO A 453 -16.247 -12.588 -2.914 1.00 51.40 H new ATOM 0 HB3 PRO A 453 -16.695 -13.352 -1.402 1.00 51.40 H new ATOM 0 HG2 PRO A 453 -16.759 -10.681 -1.735 1.00 43.12 H new ATOM 0 HG3 PRO A 453 -16.416 -11.422 -0.184 1.00 43.12 H new ATOM 0 HD2 PRO A 453 -14.534 -10.113 -2.106 1.00 20.04 H new ATOM 0 HD3 PRO A 453 -14.464 -10.174 -0.356 1.00 20.04 H new ATOM 265 N TYR A 454 -14.351 -14.981 -3.099 1.00 73.33 N ATOM 266 CA TYR A 454 -14.013 -15.736 -4.242 1.00 31.52 C ATOM 267 C TYR A 454 -14.955 -15.412 -5.358 1.00 45.14 C ATOM 268 O TYR A 454 -16.108 -15.898 -5.420 1.00 4.40 O ATOM 269 CB TYR A 454 -13.972 -17.233 -3.959 1.00 52.24 C ATOM 270 CG TYR A 454 -13.549 -18.071 -5.163 1.00 34.40 C ATOM 271 CD1 TYR A 454 -14.496 -18.649 -6.000 1.00 74.40 C ATOM 272 CD2 TYR A 454 -12.205 -18.267 -5.466 1.00 71.40 C ATOM 273 CE1 TYR A 454 -14.124 -19.392 -7.100 1.00 41.14 C ATOM 274 CE2 TYR A 454 -11.824 -19.015 -6.568 1.00 22.12 C ATOM 275 CZ TYR A 454 -12.791 -19.576 -7.380 1.00 75.14 C ATOM 276 OH TYR A 454 -12.423 -20.319 -8.482 1.00 54.52 O ATOM 0 H TYR A 454 -14.822 -15.524 -2.376 1.00 73.33 H new ATOM 0 HA TYR A 454 -13.002 -15.459 -4.542 1.00 31.52 H new ATOM 0 HB2 TYR A 454 -13.282 -17.420 -3.136 1.00 52.24 H new ATOM 0 HB3 TYR A 454 -14.958 -17.559 -3.628 1.00 52.24 H new ATOM 0 HD1 TYR A 454 -15.545 -18.513 -5.784 1.00 74.40 H new ATOM 0 HD2 TYR A 454 -11.448 -17.829 -4.833 1.00 71.40 H new ATOM 0 HE1 TYR A 454 -14.877 -19.828 -7.739 1.00 41.14 H new ATOM 0 HE2 TYR A 454 -10.777 -19.159 -6.791 1.00 22.12 H new ATOM 0 HH TYR A 454 -11.445 -20.354 -8.541 1.00 54.52 H new ATOM 286 N ALA A 455 -14.493 -14.486 -6.120 1.00 75.14 N ATOM 287 CA ALA A 455 -15.091 -14.024 -7.361 1.00 21.50 C ATOM 288 C ALA A 455 -16.140 -12.981 -7.108 1.00 45.53 C ATOM 289 O ALA A 455 -17.209 -12.976 -7.742 1.00 33.33 O ATOM 290 CB ALA A 455 -15.598 -15.166 -8.243 1.00 23.14 C ATOM 0 H ALA A 455 -13.632 -13.987 -5.895 1.00 75.14 H new ATOM 0 HA ALA A 455 -14.295 -13.549 -7.934 1.00 21.50 H new ATOM 0 HB1 ALA A 455 -16.033 -14.756 -9.154 1.00 23.14 H new ATOM 0 HB2 ALA A 455 -14.767 -15.823 -8.501 1.00 23.14 H new ATOM 0 HB3 ALA A 455 -16.355 -15.734 -7.703 1.00 23.14 H new ATOM 296 N ALA A 456 -15.857 -12.118 -6.146 1.00 74.20 N ATOM 297 CA ALA A 456 -16.662 -10.927 -5.931 1.00 71.24 C ATOM 298 C ALA A 456 -16.655 -10.109 -7.217 1.00 2.40 C ATOM 299 O ALA A 456 -15.618 -10.003 -7.891 1.00 41.21 O ATOM 300 CB ALA A 456 -16.093 -10.102 -4.791 1.00 31.12 C ATOM 0 H ALA A 456 -15.074 -12.220 -5.500 1.00 74.20 H new ATOM 0 HA ALA A 456 -17.681 -11.212 -5.668 1.00 71.24 H new ATOM 0 HB1 ALA A 456 -16.707 -9.214 -4.643 1.00 31.12 H new ATOM 0 HB2 ALA A 456 -16.089 -10.697 -3.878 1.00 31.12 H new ATOM 0 HB3 ALA A 456 -15.073 -9.802 -5.033 1.00 31.12 H new ATOM 306 N THR A 457 -17.781 -9.598 -7.584 1.00 45.13 N ATOM 307 CA THR A 457 -17.905 -8.852 -8.781 1.00 64.53 C ATOM 308 C THR A 457 -17.440 -7.417 -8.567 1.00 41.55 C ATOM 309 O THR A 457 -17.439 -6.920 -7.430 1.00 65.21 O ATOM 310 CB THR A 457 -19.363 -8.899 -9.257 1.00 23.32 C ATOM 311 OG1 THR A 457 -20.225 -8.643 -8.143 1.00 42.22 O ATOM 312 CG2 THR A 457 -19.690 -10.260 -9.853 1.00 24.24 C ATOM 0 H THR A 457 -18.647 -9.690 -7.053 1.00 45.13 H new ATOM 0 HA THR A 457 -17.270 -9.290 -9.551 1.00 64.53 H new ATOM 0 HB THR A 457 -19.510 -8.142 -10.027 1.00 23.32 H new ATOM 0 HG1 THR A 457 -21.159 -8.670 -8.439 1.00 42.22 H new ATOM 0 HG21 THR A 457 -20.728 -10.272 -10.184 1.00 24.24 H new ATOM 0 HG22 THR A 457 -19.036 -10.452 -10.703 1.00 24.24 H new ATOM 0 HG23 THR A 457 -19.541 -11.033 -9.099 1.00 24.24 H new ATOM 320 N ILE A 458 -17.054 -6.750 -9.643 1.00 14.43 N ATOM 321 CA ILE A 458 -16.595 -5.374 -9.567 1.00 71.41 C ATOM 322 C ILE A 458 -17.743 -4.486 -9.072 1.00 63.13 C ATOM 323 O ILE A 458 -17.546 -3.533 -8.333 1.00 62.41 O ATOM 324 CB ILE A 458 -16.073 -4.871 -10.946 1.00 51.40 C ATOM 325 CG1 ILE A 458 -14.940 -5.790 -11.440 1.00 11.54 C ATOM 326 CG2 ILE A 458 -15.583 -3.418 -10.851 1.00 3.41 C ATOM 327 CD1 ILE A 458 -14.379 -5.422 -12.797 1.00 62.11 C ATOM 0 H ILE A 458 -17.050 -7.143 -10.584 1.00 14.43 H new ATOM 0 HA ILE A 458 -15.762 -5.322 -8.865 1.00 71.41 H new ATOM 0 HB ILE A 458 -16.895 -4.901 -11.661 1.00 51.40 H new ATOM 0 HG12 ILE A 458 -14.131 -5.773 -10.710 1.00 11.54 H new ATOM 0 HG13 ILE A 458 -15.311 -6.814 -11.480 1.00 11.54 H new ATOM 0 HG21 ILE A 458 -15.224 -3.091 -11.827 1.00 3.41 H new ATOM 0 HG22 ILE A 458 -16.405 -2.777 -10.533 1.00 3.41 H new ATOM 0 HG23 ILE A 458 -14.772 -3.354 -10.126 1.00 3.41 H new ATOM 0 HD11 ILE A 458 -13.587 -6.121 -13.065 1.00 62.11 H new ATOM 0 HD12 ILE A 458 -15.172 -5.468 -13.543 1.00 62.11 H new ATOM 0 HD13 ILE A 458 -13.973 -4.411 -12.761 1.00 62.11 H new ATOM 339 N GLU A 459 -18.945 -4.864 -9.434 1.00 41.33 N ATOM 340 CA GLU A 459 -20.129 -4.149 -9.021 1.00 45.01 C ATOM 341 C GLU A 459 -20.332 -4.290 -7.512 1.00 71.21 C ATOM 342 O GLU A 459 -20.737 -3.342 -6.839 1.00 31.02 O ATOM 343 CB GLU A 459 -21.344 -4.676 -9.765 1.00 21.34 C ATOM 344 CG GLU A 459 -21.230 -4.586 -11.276 1.00 14.40 C ATOM 345 CD GLU A 459 -22.432 -5.162 -11.961 1.00 43.10 C ATOM 346 OE1 GLU A 459 -23.415 -4.427 -12.170 1.00 61.20 O ATOM 347 OE2 GLU A 459 -22.432 -6.369 -12.278 1.00 43.20 O ATOM 0 H GLU A 459 -19.130 -5.676 -10.023 1.00 41.33 H new ATOM 0 HA GLU A 459 -20.002 -3.093 -9.259 1.00 45.01 H new ATOM 0 HB2 GLU A 459 -21.506 -5.717 -9.485 1.00 21.34 H new ATOM 0 HB3 GLU A 459 -22.224 -4.119 -9.444 1.00 21.34 H new ATOM 0 HG2 GLU A 459 -21.109 -3.543 -11.570 1.00 14.40 H new ATOM 0 HG3 GLU A 459 -20.336 -5.115 -11.605 1.00 14.40 H new ATOM 354 N ASP A 460 -20.002 -5.461 -6.984 1.00 21.12 N ATOM 355 CA ASP A 460 -20.161 -5.735 -5.566 1.00 15.01 C ATOM 356 C ASP A 460 -19.092 -5.013 -4.765 1.00 22.32 C ATOM 357 O ASP A 460 -19.354 -4.516 -3.668 1.00 40.21 O ATOM 358 CB ASP A 460 -20.101 -7.238 -5.277 1.00 50.34 C ATOM 359 CG ASP A 460 -20.457 -7.570 -3.843 1.00 11.45 C ATOM 360 OD1 ASP A 460 -21.655 -7.638 -3.508 1.00 21.45 O ATOM 361 OD2 ASP A 460 -19.569 -7.795 -3.029 1.00 63.24 O ATOM 0 H ASP A 460 -19.621 -6.239 -7.522 1.00 21.12 H new ATOM 0 HA ASP A 460 -21.143 -5.370 -5.267 1.00 15.01 H new ATOM 0 HB2 ASP A 460 -20.783 -7.761 -5.947 1.00 50.34 H new ATOM 0 HB3 ASP A 460 -19.098 -7.606 -5.493 1.00 50.34 H new ATOM 366 N ILE A 461 -17.890 -4.919 -5.326 1.00 42.50 N ATOM 367 CA ILE A 461 -16.807 -4.241 -4.636 1.00 51.21 C ATOM 368 C ILE A 461 -17.032 -2.714 -4.657 1.00 21.44 C ATOM 369 O ILE A 461 -16.708 -2.016 -3.695 1.00 33.32 O ATOM 370 CB ILE A 461 -15.381 -4.635 -5.173 1.00 0.14 C ATOM 371 CG1 ILE A 461 -14.296 -4.192 -4.179 1.00 54.43 C ATOM 372 CG2 ILE A 461 -15.105 -4.027 -6.543 1.00 71.22 C ATOM 373 CD1 ILE A 461 -12.888 -4.578 -4.590 1.00 63.30 C ATOM 0 H ILE A 461 -17.647 -5.298 -6.241 1.00 42.50 H new ATOM 0 HA ILE A 461 -16.825 -4.580 -3.600 1.00 51.21 H new ATOM 0 HB ILE A 461 -15.359 -5.720 -5.276 1.00 0.14 H new ATOM 0 HG12 ILE A 461 -14.345 -3.109 -4.062 1.00 54.43 H new ATOM 0 HG13 ILE A 461 -14.511 -4.628 -3.204 1.00 54.43 H new ATOM 0 HG21 ILE A 461 -14.111 -4.323 -6.879 1.00 71.22 H new ATOM 0 HG22 ILE A 461 -15.849 -4.383 -7.256 1.00 71.22 H new ATOM 0 HG23 ILE A 461 -15.157 -2.940 -6.476 1.00 71.22 H new ATOM 0 HD11 ILE A 461 -12.181 -4.230 -3.837 1.00 63.30 H new ATOM 0 HD12 ILE A 461 -12.819 -5.662 -4.679 1.00 63.30 H new ATOM 0 HD13 ILE A 461 -12.651 -4.120 -5.550 1.00 63.30 H new ATOM 385 N LEU A 462 -17.631 -2.207 -5.740 1.00 4.44 N ATOM 386 CA LEU A 462 -17.980 -0.792 -5.820 1.00 53.30 C ATOM 387 C LEU A 462 -19.080 -0.483 -4.819 1.00 31.41 C ATOM 388 O LEU A 462 -19.110 0.589 -4.206 1.00 43.15 O ATOM 389 CB LEU A 462 -18.407 -0.389 -7.242 1.00 31.52 C ATOM 390 CG LEU A 462 -17.330 -0.472 -8.337 1.00 72.32 C ATOM 391 CD1 LEU A 462 -17.910 -0.080 -9.687 1.00 11.21 C ATOM 392 CD2 LEU A 462 -16.132 0.411 -8.000 1.00 53.41 C ATOM 0 H LEU A 462 -17.881 -2.753 -6.564 1.00 4.44 H new ATOM 0 HA LEU A 462 -17.094 -0.206 -5.575 1.00 53.30 H new ATOM 0 HB2 LEU A 462 -19.243 -1.023 -7.538 1.00 31.52 H new ATOM 0 HB3 LEU A 462 -18.779 0.635 -7.208 1.00 31.52 H new ATOM 0 HG LEU A 462 -16.986 -1.505 -8.389 1.00 72.32 H new ATOM 0 HD11 LEU A 462 -17.134 -0.145 -10.449 1.00 11.21 H new ATOM 0 HD12 LEU A 462 -18.726 -0.756 -9.942 1.00 11.21 H new ATOM 0 HD13 LEU A 462 -18.286 0.942 -9.638 1.00 11.21 H new ATOM 0 HD21 LEU A 462 -15.387 0.332 -8.792 1.00 53.41 H new ATOM 0 HD22 LEU A 462 -16.458 1.447 -7.911 1.00 53.41 H new ATOM 0 HD23 LEU A 462 -15.694 0.086 -7.056 1.00 53.41 H new ATOM 404 N ASP A 463 -19.967 -1.443 -4.645 1.00 33.55 N ATOM 405 CA ASP A 463 -21.031 -1.363 -3.655 1.00 61.23 C ATOM 406 C ASP A 463 -20.430 -1.280 -2.280 1.00 5.23 C ATOM 407 O ASP A 463 -20.754 -0.394 -1.494 1.00 72.30 O ATOM 408 CB ASP A 463 -21.906 -2.592 -3.741 1.00 22.41 C ATOM 409 CG ASP A 463 -23.013 -2.587 -2.721 1.00 15.23 C ATOM 410 OD1 ASP A 463 -23.066 -3.519 -1.884 1.00 51.42 O ATOM 411 OD2 ASP A 463 -23.823 -1.653 -2.713 1.00 51.31 O ATOM 0 H ASP A 463 -19.973 -2.307 -5.188 1.00 33.55 H new ATOM 0 HA ASP A 463 -21.633 -0.476 -3.849 1.00 61.23 H new ATOM 0 HB2 ASP A 463 -22.338 -2.657 -4.740 1.00 22.41 H new ATOM 0 HB3 ASP A 463 -21.292 -3.481 -3.601 1.00 22.41 H new ATOM 416 N PHE A 464 -19.519 -2.196 -2.038 1.00 64.52 N ATOM 417 CA PHE A 464 -18.754 -2.296 -0.784 1.00 71.45 C ATOM 418 C PHE A 464 -18.107 -0.960 -0.430 1.00 41.35 C ATOM 419 O PHE A 464 -18.166 -0.506 0.724 1.00 55.24 O ATOM 420 CB PHE A 464 -17.680 -3.393 -0.925 1.00 74.20 C ATOM 421 CG PHE A 464 -16.682 -3.472 0.201 1.00 63.24 C ATOM 422 CD1 PHE A 464 -17.035 -3.997 1.430 1.00 31.30 C ATOM 423 CD2 PHE A 464 -15.380 -3.030 0.015 1.00 72.34 C ATOM 424 CE1 PHE A 464 -16.115 -4.081 2.453 1.00 62.32 C ATOM 425 CE2 PHE A 464 -14.455 -3.109 1.035 1.00 51.33 C ATOM 426 CZ PHE A 464 -14.823 -3.635 2.256 1.00 4.35 C ATOM 0 H PHE A 464 -19.273 -2.917 -2.716 1.00 64.52 H new ATOM 0 HA PHE A 464 -19.437 -2.559 0.024 1.00 71.45 H new ATOM 0 HB2 PHE A 464 -18.180 -4.358 -1.012 1.00 74.20 H new ATOM 0 HB3 PHE A 464 -17.138 -3.229 -1.857 1.00 74.20 H new ATOM 0 HD1 PHE A 464 -18.044 -4.346 1.591 1.00 31.30 H new ATOM 0 HD2 PHE A 464 -15.087 -2.619 -0.940 1.00 72.34 H new ATOM 0 HE1 PHE A 464 -16.404 -4.495 3.408 1.00 62.32 H new ATOM 0 HE2 PHE A 464 -13.445 -2.760 0.878 1.00 51.33 H new ATOM 0 HZ PHE A 464 -14.101 -3.698 3.057 1.00 4.35 H new ATOM 436 N LEU A 465 -17.513 -0.338 -1.428 1.00 63.12 N ATOM 437 CA LEU A 465 -16.867 0.951 -1.270 1.00 53.31 C ATOM 438 C LEU A 465 -17.862 2.033 -0.869 1.00 61.41 C ATOM 439 O LEU A 465 -17.543 2.914 -0.058 1.00 0.10 O ATOM 440 CB LEU A 465 -16.143 1.358 -2.552 1.00 64.03 C ATOM 441 CG LEU A 465 -14.926 0.515 -2.958 1.00 73.23 C ATOM 442 CD1 LEU A 465 -14.358 1.009 -4.277 1.00 1.11 C ATOM 443 CD2 LEU A 465 -13.853 0.548 -1.873 1.00 0.24 C ATOM 0 H LEU A 465 -17.464 -0.713 -2.375 1.00 63.12 H new ATOM 0 HA LEU A 465 -16.136 0.848 -0.468 1.00 53.31 H new ATOM 0 HB2 LEU A 465 -16.862 1.333 -3.371 1.00 64.03 H new ATOM 0 HB3 LEU A 465 -15.819 2.393 -2.445 1.00 64.03 H new ATOM 0 HG LEU A 465 -15.253 -0.517 -3.081 1.00 73.23 H new ATOM 0 HD11 LEU A 465 -13.496 0.402 -4.552 1.00 1.11 H new ATOM 0 HD12 LEU A 465 -15.119 0.931 -5.053 1.00 1.11 H new ATOM 0 HD13 LEU A 465 -14.051 2.050 -4.174 1.00 1.11 H new ATOM 0 HD21 LEU A 465 -13.001 -0.057 -2.185 1.00 0.24 H new ATOM 0 HD22 LEU A 465 -13.529 1.576 -1.713 1.00 0.24 H new ATOM 0 HD23 LEU A 465 -14.262 0.148 -0.945 1.00 0.24 H new ATOM 455 N GLY A 466 -19.063 1.955 -1.403 1.00 74.43 N ATOM 456 CA GLY A 466 -20.061 2.934 -1.089 1.00 10.22 C ATOM 457 C GLY A 466 -19.768 4.225 -1.742 1.00 71.23 C ATOM 458 O GLY A 466 -19.440 4.279 -2.925 1.00 64.43 O ATOM 0 H GLY A 466 -19.363 1.226 -2.051 1.00 74.43 H new ATOM 0 HA2 GLY A 466 -21.039 2.575 -1.409 1.00 10.22 H new ATOM 0 HA3 GLY A 466 -20.111 3.073 -0.009 1.00 10.22 H new ATOM 462 N GLU A 467 -19.854 5.238 -0.953 1.00 1.44 N ATOM 463 CA GLU A 467 -19.535 6.622 -1.323 1.00 24.32 C ATOM 464 C GLU A 467 -18.134 6.684 -1.943 1.00 51.30 C ATOM 465 O GLU A 467 -17.892 7.389 -2.927 1.00 54.14 O ATOM 466 CB GLU A 467 -19.546 7.479 -0.056 1.00 24.12 C ATOM 467 CG GLU A 467 -19.365 8.967 -0.278 1.00 64.44 C ATOM 468 CD GLU A 467 -19.143 9.708 1.015 1.00 72.44 C ATOM 469 OE1 GLU A 467 -19.965 9.574 1.952 1.00 14.21 O ATOM 470 OE2 GLU A 467 -18.138 10.458 1.119 1.00 53.35 O ATOM 0 H GLU A 467 -20.160 5.148 0.016 1.00 1.44 H new ATOM 0 HA GLU A 467 -20.268 6.986 -2.042 1.00 24.32 H new ATOM 0 HB2 GLU A 467 -20.491 7.318 0.463 1.00 24.12 H new ATOM 0 HB3 GLU A 467 -18.755 7.128 0.607 1.00 24.12 H new ATOM 0 HG2 GLU A 467 -18.517 9.134 -0.942 1.00 64.44 H new ATOM 0 HG3 GLU A 467 -20.246 9.368 -0.779 1.00 64.44 H new ATOM 477 N PHE A 468 -17.245 5.860 -1.407 1.00 42.22 N ATOM 478 CA PHE A 468 -15.856 5.833 -1.800 1.00 11.51 C ATOM 479 C PHE A 468 -15.649 5.261 -3.206 1.00 73.22 C ATOM 480 O PHE A 468 -14.549 5.310 -3.742 1.00 30.31 O ATOM 481 CB PHE A 468 -15.016 5.089 -0.762 1.00 45.14 C ATOM 482 CG PHE A 468 -15.056 5.728 0.600 1.00 61.41 C ATOM 483 CD1 PHE A 468 -15.931 5.269 1.573 1.00 31.01 C ATOM 484 CD2 PHE A 468 -14.228 6.798 0.903 1.00 42.13 C ATOM 485 CE1 PHE A 468 -15.978 5.861 2.817 1.00 2.10 C ATOM 486 CE2 PHE A 468 -14.270 7.392 2.147 1.00 50.44 C ATOM 487 CZ PHE A 468 -15.147 6.924 3.105 1.00 23.24 C ATOM 0 H PHE A 468 -17.478 5.185 -0.678 1.00 42.22 H new ATOM 0 HA PHE A 468 -15.515 6.867 -1.841 1.00 11.51 H new ATOM 0 HB2 PHE A 468 -15.372 4.061 -0.685 1.00 45.14 H new ATOM 0 HB3 PHE A 468 -13.982 5.044 -1.105 1.00 45.14 H new ATOM 0 HD1 PHE A 468 -16.584 4.437 1.353 1.00 31.01 H new ATOM 0 HD2 PHE A 468 -13.542 7.171 0.156 1.00 42.13 H new ATOM 0 HE1 PHE A 468 -16.664 5.493 3.565 1.00 2.10 H new ATOM 0 HE2 PHE A 468 -13.617 8.223 2.372 1.00 50.44 H new ATOM 0 HZ PHE A 468 -15.183 7.390 4.079 1.00 23.24 H new ATOM 497 N ALA A 469 -16.716 4.763 -3.826 1.00 74.42 N ATOM 498 CA ALA A 469 -16.644 4.268 -5.190 1.00 31.13 C ATOM 499 C ALA A 469 -16.517 5.441 -6.159 1.00 14.15 C ATOM 500 O ALA A 469 -16.186 5.272 -7.327 1.00 72.41 O ATOM 501 CB ALA A 469 -17.857 3.421 -5.531 1.00 1.14 C ATOM 0 H ALA A 469 -17.641 4.693 -3.401 1.00 74.42 H new ATOM 0 HA ALA A 469 -15.763 3.633 -5.282 1.00 31.13 H new ATOM 0 HB1 ALA A 469 -17.775 3.065 -6.558 1.00 1.14 H new ATOM 0 HB2 ALA A 469 -17.907 2.568 -4.854 1.00 1.14 H new ATOM 0 HB3 ALA A 469 -18.761 4.021 -5.426 1.00 1.14 H new ATOM 507 N THR A 470 -16.811 6.623 -5.665 1.00 55.31 N ATOM 508 CA THR A 470 -16.666 7.839 -6.408 1.00 1.12 C ATOM 509 C THR A 470 -15.255 8.422 -6.162 1.00 14.12 C ATOM 510 O THR A 470 -14.744 9.246 -6.938 1.00 20.21 O ATOM 511 CB THR A 470 -17.745 8.841 -5.932 1.00 10.45 C ATOM 512 OG1 THR A 470 -19.022 8.194 -6.000 1.00 3.32 O ATOM 513 CG2 THR A 470 -17.780 10.097 -6.797 1.00 14.33 C ATOM 0 H THR A 470 -17.163 6.761 -4.718 1.00 55.31 H new ATOM 0 HA THR A 470 -16.789 7.649 -7.474 1.00 1.12 H new ATOM 0 HB THR A 470 -17.506 9.145 -4.913 1.00 10.45 H new ATOM 0 HG1 THR A 470 -19.719 8.814 -5.700 1.00 3.32 H new ATOM 0 HG21 THR A 470 -18.552 10.772 -6.427 1.00 14.33 H new ATOM 0 HG22 THR A 470 -16.811 10.595 -6.755 1.00 14.33 H new ATOM 0 HG23 THR A 470 -18.002 9.823 -7.828 1.00 14.33 H new ATOM 521 N ASP A 471 -14.611 7.946 -5.114 1.00 24.43 N ATOM 522 CA ASP A 471 -13.338 8.480 -4.684 1.00 64.14 C ATOM 523 C ASP A 471 -12.169 7.657 -5.174 1.00 62.32 C ATOM 524 O ASP A 471 -11.018 7.963 -4.873 1.00 71.51 O ATOM 525 CB ASP A 471 -13.275 8.641 -3.165 1.00 52.43 C ATOM 526 CG ASP A 471 -14.272 9.636 -2.629 1.00 73.25 C ATOM 527 OD1 ASP A 471 -14.302 10.791 -3.127 1.00 33.14 O ATOM 528 OD2 ASP A 471 -14.996 9.302 -1.671 1.00 63.12 O ATOM 0 H ASP A 471 -14.957 7.178 -4.538 1.00 24.43 H new ATOM 0 HA ASP A 471 -13.258 9.468 -5.138 1.00 64.14 H new ATOM 0 HB2 ASP A 471 -13.451 7.673 -2.696 1.00 52.43 H new ATOM 0 HB3 ASP A 471 -12.270 8.955 -2.881 1.00 52.43 H new ATOM 533 N ILE A 472 -12.459 6.613 -5.897 1.00 43.52 N ATOM 534 CA ILE A 472 -11.466 5.779 -6.501 1.00 2.20 C ATOM 535 C ILE A 472 -10.955 6.477 -7.774 1.00 1.01 C ATOM 536 O ILE A 472 -11.636 7.360 -8.315 1.00 34.54 O ATOM 537 CB ILE A 472 -12.073 4.374 -6.847 1.00 12.31 C ATOM 538 CG1 ILE A 472 -10.990 3.412 -7.340 1.00 71.02 C ATOM 539 CG2 ILE A 472 -13.189 4.496 -7.886 1.00 74.24 C ATOM 540 CD1 ILE A 472 -11.484 2.019 -7.642 1.00 44.23 C ATOM 0 H ILE A 472 -13.416 6.313 -6.086 1.00 43.52 H new ATOM 0 HA ILE A 472 -10.638 5.623 -5.810 1.00 2.20 H new ATOM 0 HB ILE A 472 -12.501 3.968 -5.931 1.00 12.31 H new ATOM 0 HG12 ILE A 472 -10.536 3.826 -8.240 1.00 71.02 H new ATOM 0 HG13 ILE A 472 -10.205 3.351 -6.586 1.00 71.02 H new ATOM 0 HG21 ILE A 472 -13.591 3.507 -8.106 1.00 74.24 H new ATOM 0 HG22 ILE A 472 -13.983 5.131 -7.494 1.00 74.24 H new ATOM 0 HG23 ILE A 472 -12.789 4.937 -8.799 1.00 74.24 H new ATOM 0 HD11 ILE A 472 -10.652 1.404 -7.985 1.00 44.23 H new ATOM 0 HD12 ILE A 472 -11.911 1.581 -6.740 1.00 44.23 H new ATOM 0 HD13 ILE A 472 -12.247 2.064 -8.420 1.00 44.23 H new ATOM 552 N ARG A 473 -9.787 6.123 -8.226 1.00 31.23 N ATOM 553 CA ARG A 473 -9.262 6.689 -9.436 1.00 40.44 C ATOM 554 C ARG A 473 -9.755 5.836 -10.602 1.00 1.35 C ATOM 555 O ARG A 473 -10.113 4.664 -10.396 1.00 3.51 O ATOM 556 CB ARG A 473 -7.739 6.712 -9.388 1.00 55.13 C ATOM 557 CG ARG A 473 -7.093 7.584 -10.444 1.00 23.24 C ATOM 558 CD ARG A 473 -5.586 7.552 -10.332 1.00 1.53 C ATOM 559 NE ARG A 473 -5.128 7.906 -8.989 1.00 64.52 N ATOM 560 CZ ARG A 473 -4.430 8.986 -8.668 1.00 73.33 C ATOM 561 NH1 ARG A 473 -4.318 10.002 -9.519 1.00 72.24 N ATOM 562 NH2 ARG A 473 -3.896 9.070 -7.481 1.00 73.33 N ATOM 0 H ARG A 473 -9.177 5.442 -7.773 1.00 31.23 H new ATOM 0 HA ARG A 473 -9.603 7.717 -9.557 1.00 40.44 H new ATOM 0 HB2 ARG A 473 -7.424 7.060 -8.404 1.00 55.13 H new ATOM 0 HB3 ARG A 473 -7.369 5.693 -9.499 1.00 55.13 H new ATOM 0 HG2 ARG A 473 -7.394 7.243 -11.435 1.00 23.24 H new ATOM 0 HG3 ARG A 473 -7.446 8.610 -10.339 1.00 23.24 H new ATOM 0 HD2 ARG A 473 -5.225 6.556 -10.587 1.00 1.53 H new ATOM 0 HD3 ARG A 473 -5.154 8.243 -11.056 1.00 1.53 H new ATOM 0 HE ARG A 473 -5.367 7.265 -8.232 1.00 64.52 H new ATOM 0 HH11 ARG A 473 -4.772 9.956 -10.431 1.00 72.24 H new ATOM 0 HH12 ARG A 473 -3.778 10.827 -9.260 1.00 72.24 H new ATOM 0 HH21 ARG A 473 -4.018 8.310 -6.812 1.00 73.33 H new ATOM 0 HH22 ARG A 473 -3.357 9.896 -7.222 1.00 73.33 H new ATOM 576 N THR A 474 -9.779 6.414 -11.788 1.00 4.22 N ATOM 577 CA THR A 474 -10.261 5.769 -12.997 1.00 70.53 C ATOM 578 C THR A 474 -9.595 4.403 -13.235 1.00 74.13 C ATOM 579 O THR A 474 -8.398 4.326 -13.545 1.00 13.32 O ATOM 580 CB THR A 474 -10.030 6.691 -14.210 1.00 44.54 C ATOM 581 OG1 THR A 474 -10.580 7.987 -13.911 1.00 2.14 O ATOM 582 CG2 THR A 474 -10.714 6.141 -15.457 1.00 42.12 C ATOM 0 H THR A 474 -9.456 7.369 -11.942 1.00 4.22 H new ATOM 0 HA THR A 474 -11.328 5.589 -12.869 1.00 70.53 H new ATOM 0 HB THR A 474 -8.959 6.755 -14.403 1.00 44.54 H new ATOM 0 HG1 THR A 474 -10.439 8.586 -14.674 1.00 2.14 H new ATOM 0 HG21 THR A 474 -10.534 6.812 -16.297 1.00 42.12 H new ATOM 0 HG22 THR A 474 -10.311 5.155 -15.688 1.00 42.12 H new ATOM 0 HG23 THR A 474 -11.786 6.062 -15.279 1.00 42.12 H new ATOM 590 N HIS A 475 -10.382 3.342 -13.011 1.00 62.04 N ATOM 591 CA HIS A 475 -9.963 1.948 -13.196 1.00 22.14 C ATOM 592 C HIS A 475 -8.811 1.588 -12.273 1.00 13.13 C ATOM 593 O HIS A 475 -8.024 0.686 -12.559 1.00 22.10 O ATOM 594 CB HIS A 475 -9.625 1.644 -14.672 1.00 23.43 C ATOM 595 CG HIS A 475 -10.813 1.723 -15.583 1.00 70.44 C ATOM 596 ND1 HIS A 475 -10.998 2.705 -16.527 1.00 64.44 N ATOM 597 CD2 HIS A 475 -11.893 0.911 -15.673 1.00 11.03 C ATOM 598 CE1 HIS A 475 -12.156 2.473 -17.142 1.00 61.34 C ATOM 599 NE2 HIS A 475 -12.745 1.388 -16.661 1.00 21.22 N ATOM 0 H HIS A 475 -11.346 3.431 -12.690 1.00 62.04 H new ATOM 0 HA HIS A 475 -10.809 1.316 -12.924 1.00 22.14 H new ATOM 0 HB2 HIS A 475 -8.866 2.347 -15.015 1.00 23.43 H new ATOM 0 HB3 HIS A 475 -9.190 0.647 -14.740 1.00 23.43 H new ATOM 0 HD2 HIS A 475 -12.065 0.031 -15.071 1.00 11.03 H new ATOM 0 HE1 HIS A 475 -12.562 3.089 -17.930 1.00 61.34 H new ATOM 0 HE2 HIS A 475 -13.636 0.987 -16.954 1.00 21.22 H new ATOM 607 N GLY A 476 -8.765 2.252 -11.129 1.00 2.30 N ATOM 608 CA GLY A 476 -7.731 2.012 -10.158 1.00 73.03 C ATOM 609 C GLY A 476 -7.969 0.751 -9.345 1.00 64.30 C ATOM 610 O GLY A 476 -7.165 0.394 -8.509 1.00 15.30 O ATOM 0 H GLY A 476 -9.441 2.965 -10.857 1.00 2.30 H new ATOM 0 HA2 GLY A 476 -6.771 1.934 -10.668 1.00 73.03 H new ATOM 0 HA3 GLY A 476 -7.666 2.866 -9.484 1.00 73.03 H new ATOM 614 N VAL A 477 -9.080 0.099 -9.578 1.00 34.51 N ATOM 615 CA VAL A 477 -9.406 -1.120 -8.881 1.00 52.01 C ATOM 616 C VAL A 477 -8.725 -2.321 -9.544 1.00 10.31 C ATOM 617 O VAL A 477 -9.113 -2.765 -10.628 1.00 42.23 O ATOM 618 CB VAL A 477 -10.963 -1.322 -8.748 1.00 24.32 C ATOM 619 CG1 VAL A 477 -11.683 -1.249 -10.099 1.00 14.12 C ATOM 620 CG2 VAL A 477 -11.308 -2.621 -8.022 1.00 74.31 C ATOM 0 H VAL A 477 -9.783 0.397 -10.255 1.00 34.51 H new ATOM 0 HA VAL A 477 -9.019 -1.039 -7.865 1.00 52.01 H new ATOM 0 HB VAL A 477 -11.324 -0.490 -8.143 1.00 24.32 H new ATOM 0 HG11 VAL A 477 -12.753 -1.395 -9.949 1.00 14.12 H new ATOM 0 HG12 VAL A 477 -11.509 -0.273 -10.551 1.00 14.12 H new ATOM 0 HG13 VAL A 477 -11.299 -2.028 -10.758 1.00 14.12 H new ATOM 0 HG21 VAL A 477 -12.391 -2.722 -7.951 1.00 74.31 H new ATOM 0 HG22 VAL A 477 -10.900 -3.467 -8.576 1.00 74.31 H new ATOM 0 HG23 VAL A 477 -10.879 -2.603 -7.020 1.00 74.31 H new ATOM 630 N HIS A 478 -7.675 -2.792 -8.940 1.00 72.24 N ATOM 631 CA HIS A 478 -6.977 -3.946 -9.440 1.00 52.22 C ATOM 632 C HIS A 478 -7.086 -5.080 -8.461 1.00 14.11 C ATOM 633 O HIS A 478 -6.311 -5.165 -7.508 1.00 70.30 O ATOM 634 CB HIS A 478 -5.490 -3.654 -9.731 1.00 53.13 C ATOM 635 CG HIS A 478 -5.243 -2.680 -10.843 1.00 42.13 C ATOM 636 ND1 HIS A 478 -4.832 -3.047 -12.105 1.00 25.34 N ATOM 637 CD2 HIS A 478 -5.337 -1.330 -10.860 1.00 71.43 C ATOM 638 CE1 HIS A 478 -4.692 -1.947 -12.831 1.00 45.11 C ATOM 639 NE2 HIS A 478 -4.987 -0.867 -12.119 1.00 71.04 N ATOM 0 H HIS A 478 -7.277 -2.392 -8.090 1.00 72.24 H new ATOM 0 HA HIS A 478 -7.449 -4.221 -10.383 1.00 52.22 H new ATOM 0 HB2 HIS A 478 -5.026 -3.271 -8.822 1.00 53.13 H new ATOM 0 HB3 HIS A 478 -4.991 -4.593 -9.972 1.00 53.13 H new ATOM 0 HD2 HIS A 478 -5.637 -0.712 -10.026 1.00 71.43 H new ATOM 0 HE1 HIS A 478 -4.379 -1.932 -13.865 1.00 45.11 H new ATOM 0 HE2 HIS A 478 -4.962 0.103 -12.433 1.00 71.04 H new ATOM 647 N MET A 479 -8.086 -5.902 -8.632 1.00 4.32 N ATOM 648 CA MET A 479 -8.192 -7.085 -7.829 1.00 23.44 C ATOM 649 C MET A 479 -7.219 -8.060 -8.394 1.00 34.30 C ATOM 650 O MET A 479 -7.197 -8.287 -9.614 1.00 24.41 O ATOM 651 CB MET A 479 -9.606 -7.674 -7.816 1.00 50.51 C ATOM 652 CG MET A 479 -10.669 -6.728 -7.266 1.00 31.43 C ATOM 653 SD MET A 479 -12.300 -7.495 -7.106 1.00 62.44 S ATOM 654 CE MET A 479 -12.661 -7.933 -8.808 1.00 43.03 C ATOM 0 H MET A 479 -8.833 -5.774 -9.315 1.00 4.32 H new ATOM 0 HA MET A 479 -7.973 -6.846 -6.788 1.00 23.44 H new ATOM 0 HB2 MET A 479 -9.879 -7.959 -8.832 1.00 50.51 H new ATOM 0 HB3 MET A 479 -9.603 -8.586 -7.219 1.00 50.51 H new ATOM 0 HG2 MET A 479 -10.350 -6.363 -6.290 1.00 31.43 H new ATOM 0 HG3 MET A 479 -10.746 -5.860 -7.921 1.00 31.43 H new ATOM 0 HE1 MET A 479 -13.714 -8.199 -8.900 1.00 43.03 H new ATOM 0 HE2 MET A 479 -12.443 -7.084 -9.456 1.00 43.03 H new ATOM 0 HE3 MET A 479 -12.045 -8.783 -9.104 1.00 43.03 H new ATOM 664 N VAL A 480 -6.407 -8.603 -7.554 1.00 41.13 N ATOM 665 CA VAL A 480 -5.351 -9.441 -8.004 1.00 72.00 C ATOM 666 C VAL A 480 -5.861 -10.829 -8.282 1.00 64.12 C ATOM 667 O VAL A 480 -6.421 -11.502 -7.402 1.00 11.10 O ATOM 668 CB VAL A 480 -4.163 -9.479 -7.009 1.00 31.44 C ATOM 669 CG1 VAL A 480 -3.033 -10.327 -7.561 1.00 24.10 C ATOM 670 CG2 VAL A 480 -3.661 -8.072 -6.720 1.00 33.31 C ATOM 0 H VAL A 480 -6.456 -8.480 -6.543 1.00 41.13 H new ATOM 0 HA VAL A 480 -4.973 -9.012 -8.932 1.00 72.00 H new ATOM 0 HB VAL A 480 -4.515 -9.924 -6.078 1.00 31.44 H new ATOM 0 HG11 VAL A 480 -2.208 -10.342 -6.849 1.00 24.10 H new ATOM 0 HG12 VAL A 480 -3.388 -11.344 -7.726 1.00 24.10 H new ATOM 0 HG13 VAL A 480 -2.689 -9.905 -8.506 1.00 24.10 H new ATOM 0 HG21 VAL A 480 -2.827 -8.120 -6.020 1.00 33.31 H new ATOM 0 HG22 VAL A 480 -3.329 -7.606 -7.648 1.00 33.31 H new ATOM 0 HG23 VAL A 480 -4.467 -7.480 -6.285 1.00 33.31 H new ATOM 680 N LEU A 481 -5.733 -11.218 -9.509 1.00 3.42 N ATOM 681 CA LEU A 481 -6.085 -12.526 -9.934 1.00 61.14 C ATOM 682 C LEU A 481 -4.823 -13.354 -9.943 1.00 33.23 C ATOM 683 O LEU A 481 -3.708 -12.811 -10.096 1.00 33.44 O ATOM 684 CB LEU A 481 -6.693 -12.493 -11.337 1.00 72.04 C ATOM 685 CG LEU A 481 -7.895 -11.554 -11.538 1.00 50.04 C ATOM 686 CD1 LEU A 481 -8.352 -11.573 -12.980 1.00 53.22 C ATOM 687 CD2 LEU A 481 -9.046 -11.931 -10.619 1.00 13.22 C ATOM 0 H LEU A 481 -5.374 -10.622 -10.255 1.00 3.42 H new ATOM 0 HA LEU A 481 -6.827 -12.952 -9.259 1.00 61.14 H new ATOM 0 HB2 LEU A 481 -5.913 -12.205 -12.041 1.00 72.04 H new ATOM 0 HB3 LEU A 481 -7.002 -13.505 -11.600 1.00 72.04 H new ATOM 0 HG LEU A 481 -7.573 -10.544 -11.285 1.00 50.04 H new ATOM 0 HD11 LEU A 481 -9.203 -10.902 -13.101 1.00 53.22 H new ATOM 0 HD12 LEU A 481 -7.537 -11.244 -13.624 1.00 53.22 H new ATOM 0 HD13 LEU A 481 -8.646 -12.586 -13.255 1.00 53.22 H new ATOM 0 HD21 LEU A 481 -9.881 -11.250 -10.784 1.00 13.22 H new ATOM 0 HD22 LEU A 481 -9.363 -12.952 -10.833 1.00 13.22 H new ATOM 0 HD23 LEU A 481 -8.721 -11.862 -9.581 1.00 13.22 H new ATOM 699 N ASN A 482 -4.974 -14.620 -9.766 1.00 20.22 N ATOM 700 CA ASN A 482 -3.852 -15.522 -9.732 1.00 71.14 C ATOM 701 C ASN A 482 -3.633 -16.059 -11.160 1.00 3.33 C ATOM 702 O ASN A 482 -4.280 -15.591 -12.109 1.00 41.11 O ATOM 703 CB ASN A 482 -4.128 -16.656 -8.703 1.00 23.23 C ATOM 704 CG ASN A 482 -2.868 -17.405 -8.200 1.00 51.22 C ATOM 705 OD1 ASN A 482 -1.858 -17.528 -8.894 1.00 5.41 O ATOM 706 ND2 ASN A 482 -2.928 -17.913 -7.001 1.00 44.53 N ATOM 0 H ASN A 482 -5.880 -15.072 -9.639 1.00 20.22 H new ATOM 0 HA ASN A 482 -2.941 -15.018 -9.409 1.00 71.14 H new ATOM 0 HB2 ASN A 482 -4.645 -16.229 -7.844 1.00 23.23 H new ATOM 0 HB3 ASN A 482 -4.806 -17.380 -9.156 1.00 23.23 H new ATOM 0 HD21 ASN A 482 -2.130 -18.423 -6.623 1.00 44.53 H new ATOM 0 HD22 ASN A 482 -3.773 -17.801 -6.441 1.00 44.53 H new ATOM 713 N HIS A 483 -2.787 -17.034 -11.307 1.00 42.02 N ATOM 714 CA HIS A 483 -2.380 -17.573 -12.599 1.00 4.05 C ATOM 715 C HIS A 483 -3.474 -18.394 -13.283 1.00 63.31 C ATOM 716 O HIS A 483 -3.294 -18.861 -14.403 1.00 65.10 O ATOM 717 CB HIS A 483 -1.101 -18.401 -12.441 1.00 64.25 C ATOM 718 CG HIS A 483 0.102 -17.594 -12.024 1.00 32.35 C ATOM 719 ND1 HIS A 483 0.384 -17.230 -10.720 1.00 41.11 N ATOM 720 CD2 HIS A 483 1.093 -17.061 -12.778 1.00 64.02 C ATOM 721 CE1 HIS A 483 1.504 -16.504 -10.722 1.00 13.21 C ATOM 722 NE2 HIS A 483 1.982 -16.368 -11.953 1.00 54.32 N ATOM 0 H HIS A 483 -2.340 -17.500 -10.517 1.00 42.02 H new ATOM 0 HA HIS A 483 -2.188 -16.721 -13.251 1.00 4.05 H new ATOM 0 HB2 HIS A 483 -1.275 -19.183 -11.702 1.00 64.25 H new ATOM 0 HB3 HIS A 483 -0.883 -18.898 -13.386 1.00 64.25 H new ATOM 0 HD1 HIS A 483 -0.169 -17.474 -9.898 1.00 41.11 H new ATOM 0 HD2 HIS A 483 1.182 -17.157 -13.850 1.00 64.02 H new ATOM 0 HE1 HIS A 483 1.961 -16.083 -9.839 1.00 13.21 H new ATOM 730 N GLN A 484 -4.580 -18.608 -12.613 1.00 11.01 N ATOM 731 CA GLN A 484 -5.678 -19.294 -13.223 1.00 50.12 C ATOM 732 C GLN A 484 -6.831 -18.304 -13.468 1.00 12.12 C ATOM 733 O GLN A 484 -7.950 -18.690 -13.785 1.00 33.23 O ATOM 734 CB GLN A 484 -6.128 -20.456 -12.353 1.00 45.23 C ATOM 735 CG GLN A 484 -6.936 -21.496 -13.094 1.00 32.02 C ATOM 736 CD GLN A 484 -7.374 -22.620 -12.204 1.00 53.44 C ATOM 737 OE1 GLN A 484 -6.656 -23.610 -12.027 1.00 3.43 O ATOM 738 NE2 GLN A 484 -8.549 -22.523 -11.678 1.00 3.24 N ATOM 0 H GLN A 484 -4.738 -18.316 -11.649 1.00 11.01 H new ATOM 0 HA GLN A 484 -5.360 -19.703 -14.182 1.00 50.12 H new ATOM 0 HB2 GLN A 484 -5.250 -20.934 -11.918 1.00 45.23 H new ATOM 0 HB3 GLN A 484 -6.723 -20.069 -11.526 1.00 45.23 H new ATOM 0 HG2 GLN A 484 -7.813 -21.023 -13.536 1.00 32.02 H new ATOM 0 HG3 GLN A 484 -6.342 -21.897 -13.915 1.00 32.02 H new ATOM 0 HE21 GLN A 484 -9.115 -21.691 -11.845 1.00 3.24 H new ATOM 0 HE22 GLN A 484 -8.911 -23.278 -11.096 1.00 3.24 H new ATOM 747 N GLY A 485 -6.527 -17.026 -13.323 1.00 2.53 N ATOM 748 CA GLY A 485 -7.511 -15.979 -13.536 1.00 72.03 C ATOM 749 C GLY A 485 -8.598 -15.977 -12.495 1.00 13.22 C ATOM 750 O GLY A 485 -9.746 -15.623 -12.771 1.00 72.11 O ATOM 0 H GLY A 485 -5.602 -16.687 -13.057 1.00 2.53 H new ATOM 0 HA2 GLY A 485 -7.010 -15.011 -13.533 1.00 72.03 H new ATOM 0 HA3 GLY A 485 -7.959 -16.103 -14.522 1.00 72.03 H new ATOM 754 N ARG A 486 -8.239 -16.372 -11.304 1.00 32.21 N ATOM 755 CA ARG A 486 -9.161 -16.424 -10.196 1.00 15.13 C ATOM 756 C ARG A 486 -8.601 -15.534 -9.114 1.00 13.22 C ATOM 757 O ARG A 486 -7.387 -15.475 -8.977 1.00 44.33 O ATOM 758 CB ARG A 486 -9.328 -17.875 -9.684 1.00 14.52 C ATOM 759 CG ARG A 486 -9.846 -18.855 -10.739 1.00 43.23 C ATOM 760 CD ARG A 486 -11.217 -18.444 -11.258 1.00 1.32 C ATOM 761 NE ARG A 486 -11.651 -19.258 -12.399 1.00 22.33 N ATOM 762 CZ ARG A 486 -12.387 -18.791 -13.421 1.00 73.11 C ATOM 763 NH1 ARG A 486 -12.877 -17.555 -13.386 1.00 15.45 N ATOM 764 NH2 ARG A 486 -12.662 -19.567 -14.455 1.00 74.12 N ATOM 0 H ARG A 486 -7.292 -16.670 -11.071 1.00 32.21 H new ATOM 0 HA ARG A 486 -10.150 -16.083 -10.503 1.00 15.13 H new ATOM 0 HB2 ARG A 486 -8.367 -18.231 -9.314 1.00 14.52 H new ATOM 0 HB3 ARG A 486 -10.014 -17.873 -8.837 1.00 14.52 H new ATOM 0 HG2 ARG A 486 -9.141 -18.903 -11.569 1.00 43.23 H new ATOM 0 HG3 ARG A 486 -9.903 -19.856 -10.311 1.00 43.23 H new ATOM 0 HD2 ARG A 486 -11.948 -18.531 -10.454 1.00 1.32 H new ATOM 0 HD3 ARG A 486 -11.191 -17.395 -11.553 1.00 1.32 H new ATOM 0 HE ARG A 486 -11.377 -20.240 -12.417 1.00 22.33 H new ATOM 0 HH11 ARG A 486 -12.694 -16.957 -12.580 1.00 15.45 H new ATOM 0 HH12 ARG A 486 -13.435 -17.205 -14.165 1.00 15.45 H new ATOM 0 HH21 ARG A 486 -12.315 -20.526 -14.480 1.00 74.12 H new ATOM 0 HH22 ARG A 486 -13.221 -19.207 -15.228 1.00 74.12 H new ATOM 778 N PRO A 487 -9.452 -14.794 -8.381 1.00 3.03 N ATOM 779 CA PRO A 487 -9.008 -13.856 -7.330 1.00 50.11 C ATOM 780 C PRO A 487 -8.071 -14.494 -6.304 1.00 62.23 C ATOM 781 O PRO A 487 -8.358 -15.568 -5.762 1.00 72.42 O ATOM 782 CB PRO A 487 -10.312 -13.430 -6.652 1.00 61.24 C ATOM 783 CG PRO A 487 -11.352 -13.606 -7.697 1.00 42.12 C ATOM 784 CD PRO A 487 -10.927 -14.797 -8.511 1.00 34.32 C ATOM 0 HA PRO A 487 -8.434 -13.034 -7.758 1.00 50.11 H new ATOM 0 HB2 PRO A 487 -10.522 -14.044 -5.776 1.00 61.24 H new ATOM 0 HB3 PRO A 487 -10.263 -12.396 -6.312 1.00 61.24 H new ATOM 0 HG2 PRO A 487 -12.332 -13.770 -7.248 1.00 42.12 H new ATOM 0 HG3 PRO A 487 -11.432 -12.716 -8.321 1.00 42.12 H new ATOM 0 HD2 PRO A 487 -11.362 -15.721 -8.129 1.00 34.32 H new ATOM 0 HD3 PRO A 487 -11.239 -14.704 -9.551 1.00 34.32 H new ATOM 792 N SER A 488 -6.955 -13.839 -6.060 1.00 30.11 N ATOM 793 CA SER A 488 -5.992 -14.292 -5.090 1.00 53.54 C ATOM 794 C SER A 488 -6.476 -13.962 -3.672 1.00 32.30 C ATOM 795 O SER A 488 -6.032 -14.568 -2.686 1.00 13.14 O ATOM 796 CB SER A 488 -4.650 -13.629 -5.363 1.00 25.13 C ATOM 797 OG SER A 488 -4.230 -13.867 -6.698 1.00 22.11 O ATOM 0 H SER A 488 -6.693 -12.974 -6.533 1.00 30.11 H new ATOM 0 HA SER A 488 -5.878 -15.373 -5.170 1.00 53.54 H new ATOM 0 HB2 SER A 488 -4.728 -12.556 -5.188 1.00 25.13 H new ATOM 0 HB3 SER A 488 -3.902 -14.012 -4.668 1.00 25.13 H new ATOM 0 HG SER A 488 -3.366 -13.430 -6.852 1.00 22.11 H new ATOM 803 N GLY A 489 -7.384 -13.003 -3.585 1.00 20.23 N ATOM 804 CA GLY A 489 -7.944 -12.611 -2.316 1.00 73.01 C ATOM 805 C GLY A 489 -7.567 -11.205 -1.954 1.00 64.14 C ATOM 806 O GLY A 489 -8.184 -10.588 -1.096 1.00 75.50 O ATOM 0 H GLY A 489 -7.745 -12.484 -4.385 1.00 20.23 H new ATOM 0 HA2 GLY A 489 -9.030 -12.698 -2.355 1.00 73.01 H new ATOM 0 HA3 GLY A 489 -7.597 -13.292 -1.539 1.00 73.01 H new ATOM 810 N ASP A 490 -6.552 -10.710 -2.581 1.00 3.02 N ATOM 811 CA ASP A 490 -6.082 -9.385 -2.340 1.00 4.05 C ATOM 812 C ASP A 490 -6.309 -8.525 -3.550 1.00 44.23 C ATOM 813 O ASP A 490 -6.596 -9.031 -4.649 1.00 22.23 O ATOM 814 CB ASP A 490 -4.604 -9.388 -1.940 1.00 41.40 C ATOM 815 CG ASP A 490 -3.695 -10.026 -2.962 1.00 12.41 C ATOM 816 OD1 ASP A 490 -3.781 -11.269 -3.151 1.00 52.15 O ATOM 817 OD2 ASP A 490 -2.838 -9.346 -3.514 1.00 12.51 O ATOM 0 H ASP A 490 -6.018 -11.220 -3.284 1.00 3.02 H new ATOM 0 HA ASP A 490 -6.648 -8.967 -1.507 1.00 4.05 H new ATOM 0 HB2 ASP A 490 -4.281 -8.361 -1.772 1.00 41.40 H new ATOM 0 HB3 ASP A 490 -4.495 -9.915 -0.992 1.00 41.40 H new ATOM 822 N ALA A 491 -6.218 -7.250 -3.355 1.00 21.44 N ATOM 823 CA ALA A 491 -6.436 -6.292 -4.394 1.00 44.11 C ATOM 824 C ALA A 491 -5.703 -5.036 -4.061 1.00 51.44 C ATOM 825 O ALA A 491 -5.343 -4.814 -2.911 1.00 31.45 O ATOM 826 CB ALA A 491 -7.915 -5.977 -4.519 1.00 53.54 C ATOM 0 H ALA A 491 -5.986 -6.835 -2.453 1.00 21.44 H new ATOM 0 HA ALA A 491 -6.076 -6.704 -5.337 1.00 44.11 H new ATOM 0 HB1 ALA A 491 -8.065 -5.246 -5.314 1.00 53.54 H new ATOM 0 HB2 ALA A 491 -8.463 -6.889 -4.756 1.00 53.54 H new ATOM 0 HB3 ALA A 491 -8.281 -5.569 -3.577 1.00 53.54 H new ATOM 832 N PHE A 492 -5.473 -4.242 -5.043 1.00 44.31 N ATOM 833 CA PHE A 492 -4.887 -2.957 -4.874 1.00 42.02 C ATOM 834 C PHE A 492 -5.759 -1.960 -5.602 1.00 74.33 C ATOM 835 O PHE A 492 -6.006 -2.090 -6.798 1.00 51.43 O ATOM 836 CB PHE A 492 -3.465 -2.921 -5.430 1.00 53.20 C ATOM 837 CG PHE A 492 -2.472 -3.763 -4.681 1.00 53.43 C ATOM 838 CD1 PHE A 492 -1.794 -3.245 -3.591 1.00 20.10 C ATOM 839 CD2 PHE A 492 -2.207 -5.066 -5.072 1.00 71.14 C ATOM 840 CE1 PHE A 492 -0.875 -4.008 -2.904 1.00 13.03 C ATOM 841 CE2 PHE A 492 -1.290 -5.835 -4.388 1.00 12.22 C ATOM 842 CZ PHE A 492 -0.624 -5.304 -3.303 1.00 64.52 C ATOM 0 H PHE A 492 -5.692 -4.471 -6.013 1.00 44.31 H new ATOM 0 HA PHE A 492 -4.823 -2.715 -3.813 1.00 42.02 H new ATOM 0 HB2 PHE A 492 -3.488 -3.250 -6.469 1.00 53.20 H new ATOM 0 HB3 PHE A 492 -3.117 -1.888 -5.430 1.00 53.20 H new ATOM 0 HD1 PHE A 492 -1.988 -2.231 -3.275 1.00 20.10 H new ATOM 0 HD2 PHE A 492 -2.725 -5.484 -5.923 1.00 71.14 H new ATOM 0 HE1 PHE A 492 -0.353 -3.592 -2.055 1.00 13.03 H new ATOM 0 HE2 PHE A 492 -1.094 -6.850 -4.701 1.00 12.22 H new ATOM 0 HZ PHE A 492 0.095 -5.904 -2.765 1.00 64.52 H new ATOM 852 N ILE A 493 -6.262 -1.024 -4.881 1.00 42.01 N ATOM 853 CA ILE A 493 -7.112 -0.003 -5.423 1.00 25.11 C ATOM 854 C ILE A 493 -6.383 1.300 -5.360 1.00 64.22 C ATOM 855 O ILE A 493 -5.785 1.629 -4.364 1.00 21.32 O ATOM 856 CB ILE A 493 -8.490 0.106 -4.656 1.00 70.02 C ATOM 857 CG1 ILE A 493 -9.507 -0.973 -5.084 1.00 10.03 C ATOM 858 CG2 ILE A 493 -9.124 1.492 -4.768 1.00 5.42 C ATOM 859 CD1 ILE A 493 -9.078 -2.406 -4.896 1.00 24.55 C ATOM 0 H ILE A 493 -6.097 -0.936 -3.878 1.00 42.01 H new ATOM 0 HA ILE A 493 -7.350 -0.264 -6.454 1.00 25.11 H new ATOM 0 HB ILE A 493 -8.237 -0.068 -3.610 1.00 70.02 H new ATOM 0 HG12 ILE A 493 -10.429 -0.815 -4.524 1.00 10.03 H new ATOM 0 HG13 ILE A 493 -9.744 -0.822 -6.137 1.00 10.03 H new ATOM 0 HG21 ILE A 493 -10.067 1.506 -4.222 1.00 5.42 H new ATOM 0 HG22 ILE A 493 -8.449 2.236 -4.345 1.00 5.42 H new ATOM 0 HG23 ILE A 493 -9.309 1.724 -5.817 1.00 5.42 H new ATOM 0 HD11 ILE A 493 -9.874 -3.071 -5.232 1.00 24.55 H new ATOM 0 HD12 ILE A 493 -8.177 -2.595 -5.479 1.00 24.55 H new ATOM 0 HD13 ILE A 493 -8.873 -2.589 -3.841 1.00 24.55 H new ATOM 871 N GLN A 494 -6.404 1.991 -6.411 1.00 3.21 N ATOM 872 CA GLN A 494 -5.787 3.274 -6.472 1.00 11.24 C ATOM 873 C GLN A 494 -6.878 4.323 -6.396 1.00 21.42 C ATOM 874 O GLN A 494 -7.813 4.329 -7.211 1.00 71.33 O ATOM 875 CB GLN A 494 -4.920 3.405 -7.724 1.00 23.12 C ATOM 876 CG GLN A 494 -4.103 4.676 -7.766 1.00 64.00 C ATOM 877 CD GLN A 494 -3.031 4.647 -8.824 1.00 44.41 C ATOM 878 OE1 GLN A 494 -3.240 5.058 -9.973 1.00 41.43 O ATOM 879 NE2 GLN A 494 -1.879 4.154 -8.459 1.00 62.04 N ATOM 0 H GLN A 494 -6.852 1.696 -7.279 1.00 3.21 H new ATOM 0 HA GLN A 494 -5.108 3.416 -5.631 1.00 11.24 H new ATOM 0 HB2 GLN A 494 -4.248 2.549 -7.781 1.00 23.12 H new ATOM 0 HB3 GLN A 494 -5.561 3.366 -8.605 1.00 23.12 H new ATOM 0 HG2 GLN A 494 -4.765 5.522 -7.950 1.00 64.00 H new ATOM 0 HG3 GLN A 494 -3.641 4.838 -6.792 1.00 64.00 H new ATOM 0 HE21 GLN A 494 -1.745 3.825 -7.503 1.00 62.04 H new ATOM 0 HE22 GLN A 494 -1.113 4.097 -9.130 1.00 62.04 H new ATOM 888 N MET A 495 -6.775 5.167 -5.416 1.00 42.33 N ATOM 889 CA MET A 495 -7.790 6.140 -5.103 1.00 41.31 C ATOM 890 C MET A 495 -7.487 7.452 -5.808 1.00 30.05 C ATOM 891 O MET A 495 -6.429 7.616 -6.404 1.00 35.22 O ATOM 892 CB MET A 495 -7.799 6.351 -3.591 1.00 44.24 C ATOM 893 CG MET A 495 -9.169 6.442 -2.973 1.00 23.03 C ATOM 894 SD MET A 495 -10.118 4.937 -3.228 1.00 32.55 S ATOM 895 CE MET A 495 -11.587 5.303 -2.288 1.00 50.33 C ATOM 0 H MET A 495 -5.967 5.204 -4.794 1.00 42.33 H new ATOM 0 HA MET A 495 -8.765 5.786 -5.439 1.00 41.31 H new ATOM 0 HB2 MET A 495 -7.258 5.530 -3.121 1.00 44.24 H new ATOM 0 HB3 MET A 495 -7.252 7.266 -3.363 1.00 44.24 H new ATOM 0 HG2 MET A 495 -9.074 6.635 -1.904 1.00 23.03 H new ATOM 0 HG3 MET A 495 -9.706 7.288 -3.403 1.00 23.03 H new ATOM 0 HE1 MET A 495 -12.028 4.374 -1.927 1.00 50.33 H new ATOM 0 HE2 MET A 495 -11.328 5.936 -1.439 1.00 50.33 H new ATOM 0 HE3 MET A 495 -12.305 5.823 -2.922 1.00 50.33 H new ATOM 905 N LYS A 496 -8.425 8.363 -5.745 1.00 22.25 N ATOM 906 CA LYS A 496 -8.326 9.680 -6.364 1.00 4.20 C ATOM 907 C LYS A 496 -7.380 10.562 -5.560 1.00 72.24 C ATOM 908 O LYS A 496 -6.627 11.374 -6.107 1.00 31.24 O ATOM 909 CB LYS A 496 -9.729 10.275 -6.347 1.00 63.40 C ATOM 910 CG LYS A 496 -9.971 11.545 -7.150 1.00 4.20 C ATOM 911 CD LYS A 496 -11.473 11.835 -7.172 1.00 54.12 C ATOM 912 CE LYS A 496 -11.841 13.092 -7.948 1.00 62.20 C ATOM 913 NZ LYS A 496 -11.418 14.333 -7.265 1.00 75.20 N ATOM 0 H LYS A 496 -9.305 8.215 -5.251 1.00 22.25 H new ATOM 0 HA LYS A 496 -7.939 9.610 -7.380 1.00 4.20 H new ATOM 0 HB2 LYS A 496 -10.420 9.513 -6.708 1.00 63.40 H new ATOM 0 HB3 LYS A 496 -9.994 10.479 -5.310 1.00 63.40 H new ATOM 0 HG2 LYS A 496 -9.432 12.381 -6.705 1.00 4.20 H new ATOM 0 HG3 LYS A 496 -9.594 11.427 -8.166 1.00 4.20 H new ATOM 0 HD2 LYS A 496 -11.992 10.983 -7.610 1.00 54.12 H new ATOM 0 HD3 LYS A 496 -11.830 11.934 -6.147 1.00 54.12 H new ATOM 0 HE2 LYS A 496 -11.381 13.051 -8.935 1.00 62.20 H new ATOM 0 HE3 LYS A 496 -12.920 13.116 -8.100 1.00 62.20 H new ATOM 0 HZ1 LYS A 496 -11.694 15.156 -7.838 1.00 75.20 H new ATOM 0 HZ2 LYS A 496 -11.877 14.390 -6.333 1.00 75.20 H new ATOM 0 HZ3 LYS A 496 -10.385 14.327 -7.143 1.00 75.20 H new ATOM 927 N SER A 497 -7.421 10.406 -4.264 1.00 31.41 N ATOM 928 CA SER A 497 -6.633 11.201 -3.386 1.00 10.13 C ATOM 929 C SER A 497 -6.220 10.379 -2.180 1.00 34.22 C ATOM 930 O SER A 497 -6.944 9.443 -1.784 1.00 1.21 O ATOM 931 CB SER A 497 -7.421 12.445 -2.964 1.00 34.41 C ATOM 932 OG SER A 497 -7.859 13.172 -4.110 1.00 25.21 O ATOM 0 H SER A 497 -8.008 9.717 -3.793 1.00 31.41 H new ATOM 0 HA SER A 497 -5.730 11.529 -3.901 1.00 10.13 H new ATOM 0 HB2 SER A 497 -8.281 12.151 -2.362 1.00 34.41 H new ATOM 0 HB3 SER A 497 -6.797 13.083 -2.338 1.00 34.41 H new ATOM 0 HG SER A 497 -8.362 13.963 -3.823 1.00 25.21 H new ATOM 938 N ALA A 498 -5.085 10.736 -1.600 1.00 60.24 N ATOM 939 CA ALA A 498 -4.500 10.029 -0.453 1.00 50.32 C ATOM 940 C ALA A 498 -5.429 10.043 0.752 1.00 64.31 C ATOM 941 O ALA A 498 -5.547 9.052 1.480 1.00 44.21 O ATOM 942 CB ALA A 498 -3.154 10.639 -0.096 1.00 72.20 C ATOM 0 H ALA A 498 -4.531 11.534 -1.911 1.00 60.24 H new ATOM 0 HA ALA A 498 -4.356 8.987 -0.740 1.00 50.32 H new ATOM 0 HB1 ALA A 498 -2.728 10.108 0.755 1.00 72.20 H new ATOM 0 HB2 ALA A 498 -2.480 10.557 -0.949 1.00 72.20 H new ATOM 0 HB3 ALA A 498 -3.288 11.690 0.161 1.00 72.20 H new ATOM 948 N ASP A 499 -6.120 11.146 0.920 1.00 32.34 N ATOM 949 CA ASP A 499 -7.062 11.331 2.029 1.00 10.55 C ATOM 950 C ASP A 499 -8.152 10.317 1.959 1.00 75.43 C ATOM 951 O ASP A 499 -8.446 9.627 2.923 1.00 65.33 O ATOM 952 CB ASP A 499 -7.683 12.719 1.971 1.00 40.14 C ATOM 953 CG ASP A 499 -8.836 12.897 2.943 1.00 43.53 C ATOM 954 OD1 ASP A 499 -9.995 12.897 2.502 1.00 32.13 O ATOM 955 OD2 ASP A 499 -8.605 13.034 4.149 1.00 60.05 O ATOM 0 H ASP A 499 -6.053 11.950 0.296 1.00 32.34 H new ATOM 0 HA ASP A 499 -6.511 11.214 2.962 1.00 10.55 H new ATOM 0 HB2 ASP A 499 -6.916 13.463 2.186 1.00 40.14 H new ATOM 0 HB3 ASP A 499 -8.037 12.910 0.958 1.00 40.14 H new ATOM 960 N ARG A 500 -8.705 10.202 0.796 1.00 13.02 N ATOM 961 CA ARG A 500 -9.791 9.295 0.559 1.00 43.21 C ATOM 962 C ARG A 500 -9.360 7.858 0.634 1.00 15.43 C ATOM 963 O ARG A 500 -10.129 7.006 1.046 1.00 14.31 O ATOM 964 CB ARG A 500 -10.529 9.632 -0.725 1.00 45.12 C ATOM 965 CG ARG A 500 -11.467 10.813 -0.547 1.00 13.15 C ATOM 966 CD ARG A 500 -12.660 10.419 0.323 1.00 74.00 C ATOM 967 NE ARG A 500 -13.362 11.562 0.900 1.00 23.44 N ATOM 968 CZ ARG A 500 -14.686 11.630 1.096 1.00 4.24 C ATOM 969 NH1 ARG A 500 -15.522 10.827 0.422 1.00 54.14 N ATOM 970 NH2 ARG A 500 -15.178 12.552 1.925 1.00 41.52 N ATOM 0 H ARG A 500 -8.418 10.736 -0.024 1.00 13.02 H new ATOM 0 HA ARG A 500 -10.508 9.427 1.369 1.00 43.21 H new ATOM 0 HB2 ARG A 500 -9.807 9.857 -1.510 1.00 45.12 H new ATOM 0 HB3 ARG A 500 -11.098 8.763 -1.055 1.00 45.12 H new ATOM 0 HG2 ARG A 500 -10.932 11.644 -0.087 1.00 13.15 H new ATOM 0 HG3 ARG A 500 -11.817 11.158 -1.520 1.00 13.15 H new ATOM 0 HD2 ARG A 500 -13.360 9.837 -0.276 1.00 74.00 H new ATOM 0 HD3 ARG A 500 -12.314 9.771 1.128 1.00 74.00 H new ATOM 0 HE ARG A 500 -12.803 12.369 1.175 1.00 23.44 H new ATOM 0 HH11 ARG A 500 -15.152 10.154 -0.249 1.00 54.14 H new ATOM 0 HH12 ARG A 500 -16.528 10.889 0.581 1.00 54.14 H new ATOM 0 HH21 ARG A 500 -14.548 13.197 2.403 1.00 41.52 H new ATOM 0 HH22 ARG A 500 -16.184 12.612 2.081 1.00 41.52 H new ATOM 984 N ALA A 501 -8.129 7.602 0.270 1.00 73.15 N ATOM 985 CA ALA A 501 -7.572 6.276 0.391 1.00 50.01 C ATOM 986 C ALA A 501 -7.453 5.894 1.853 1.00 35.34 C ATOM 987 O ALA A 501 -7.910 4.827 2.265 1.00 70.11 O ATOM 988 CB ALA A 501 -6.226 6.184 -0.300 1.00 71.05 C ATOM 0 H ALA A 501 -7.490 8.297 -0.115 1.00 73.15 H new ATOM 0 HA ALA A 501 -8.245 5.574 -0.101 1.00 50.01 H new ATOM 0 HB1 ALA A 501 -5.830 5.174 -0.193 1.00 71.05 H new ATOM 0 HB2 ALA A 501 -6.344 6.417 -1.358 1.00 71.05 H new ATOM 0 HB3 ALA A 501 -5.535 6.895 0.153 1.00 71.05 H new ATOM 994 N PHE A 502 -6.891 6.796 2.647 1.00 53.55 N ATOM 995 CA PHE A 502 -6.715 6.545 4.058 1.00 74.24 C ATOM 996 C PHE A 502 -8.066 6.472 4.754 1.00 21.23 C ATOM 997 O PHE A 502 -8.285 5.623 5.613 1.00 50.33 O ATOM 998 CB PHE A 502 -5.829 7.621 4.703 1.00 34.13 C ATOM 999 CG PHE A 502 -5.478 7.329 6.138 1.00 54.43 C ATOM 1000 CD1 PHE A 502 -6.133 7.971 7.179 1.00 24.34 C ATOM 1001 CD2 PHE A 502 -4.500 6.394 6.444 1.00 3.54 C ATOM 1002 CE1 PHE A 502 -5.818 7.686 8.493 1.00 31.55 C ATOM 1003 CE2 PHE A 502 -4.181 6.107 7.754 1.00 23.14 C ATOM 1004 CZ PHE A 502 -4.841 6.756 8.782 1.00 32.13 C ATOM 0 H PHE A 502 -6.552 7.705 2.332 1.00 53.55 H new ATOM 0 HA PHE A 502 -6.212 5.585 4.174 1.00 74.24 H new ATOM 0 HB2 PHE A 502 -4.910 7.718 4.125 1.00 34.13 H new ATOM 0 HB3 PHE A 502 -6.341 8.582 4.651 1.00 34.13 H new ATOM 0 HD1 PHE A 502 -6.897 8.702 6.959 1.00 24.34 H new ATOM 0 HD2 PHE A 502 -3.982 5.884 5.645 1.00 3.54 H new ATOM 0 HE1 PHE A 502 -6.337 8.191 9.294 1.00 31.55 H new ATOM 0 HE2 PHE A 502 -3.417 5.377 7.977 1.00 23.14 H new ATOM 0 HZ PHE A 502 -4.592 6.535 9.809 1.00 32.13 H new ATOM 1014 N MET A 503 -8.977 7.334 4.341 1.00 22.13 N ATOM 1015 CA MET A 503 -10.305 7.387 4.921 1.00 42.21 C ATOM 1016 C MET A 503 -11.071 6.108 4.618 1.00 65.35 C ATOM 1017 O MET A 503 -11.723 5.555 5.496 1.00 31.21 O ATOM 1018 CB MET A 503 -11.079 8.620 4.427 1.00 63.35 C ATOM 1019 CG MET A 503 -12.465 8.793 5.053 1.00 63.42 C ATOM 1020 SD MET A 503 -12.425 8.936 6.859 1.00 20.14 S ATOM 1021 CE MET A 503 -11.426 10.413 7.080 1.00 50.02 C ATOM 0 H MET A 503 -8.818 8.014 3.597 1.00 22.13 H new ATOM 0 HA MET A 503 -10.198 7.475 6.002 1.00 42.21 H new ATOM 0 HB2 MET A 503 -10.487 9.512 4.634 1.00 63.35 H new ATOM 0 HB3 MET A 503 -11.189 8.554 3.345 1.00 63.35 H new ATOM 0 HG2 MET A 503 -12.936 9.683 4.636 1.00 63.42 H new ATOM 0 HG3 MET A 503 -13.089 7.943 4.777 1.00 63.42 H new ATOM 0 HE1 MET A 503 -11.520 10.765 8.107 1.00 50.02 H new ATOM 0 HE2 MET A 503 -10.382 10.181 6.870 1.00 50.02 H new ATOM 0 HE3 MET A 503 -11.770 11.190 6.397 1.00 50.02 H new ATOM 1031 N ALA A 504 -10.944 5.608 3.390 1.00 13.20 N ATOM 1032 CA ALA A 504 -11.624 4.389 2.999 1.00 71.42 C ATOM 1033 C ALA A 504 -11.032 3.200 3.722 1.00 32.33 C ATOM 1034 O ALA A 504 -11.742 2.285 4.111 1.00 22.35 O ATOM 1035 CB ALA A 504 -11.557 4.179 1.494 1.00 53.13 C ATOM 0 H ALA A 504 -10.377 6.032 2.656 1.00 13.20 H new ATOM 0 HA ALA A 504 -12.673 4.486 3.279 1.00 71.42 H new ATOM 0 HB1 ALA A 504 -12.076 3.257 1.232 1.00 53.13 H new ATOM 0 HB2 ALA A 504 -12.032 5.019 0.988 1.00 53.13 H new ATOM 0 HB3 ALA A 504 -10.515 4.110 1.182 1.00 53.13 H new ATOM 1041 N ALA A 505 -9.736 3.239 3.922 1.00 63.42 N ATOM 1042 CA ALA A 505 -9.035 2.182 4.596 1.00 73.41 C ATOM 1043 C ALA A 505 -9.345 2.157 6.076 1.00 4.41 C ATOM 1044 O ALA A 505 -9.454 1.103 6.663 1.00 4.31 O ATOM 1045 CB ALA A 505 -7.555 2.295 4.347 1.00 41.24 C ATOM 0 H ALA A 505 -9.140 4.009 3.619 1.00 63.42 H new ATOM 0 HA ALA A 505 -9.382 1.234 4.185 1.00 73.41 H new ATOM 0 HB1 ALA A 505 -7.036 1.488 4.864 1.00 41.24 H new ATOM 0 HB2 ALA A 505 -7.360 2.225 3.277 1.00 41.24 H new ATOM 0 HB3 ALA A 505 -7.196 3.254 4.720 1.00 41.24 H new ATOM 1051 N GLN A 506 -9.494 3.312 6.669 1.00 44.14 N ATOM 1052 CA GLN A 506 -9.841 3.401 8.072 1.00 51.35 C ATOM 1053 C GLN A 506 -11.288 2.905 8.225 1.00 44.11 C ATOM 1054 O GLN A 506 -11.589 2.037 9.061 1.00 61.12 O ATOM 1055 CB GLN A 506 -9.683 4.878 8.535 1.00 4.02 C ATOM 1056 CG GLN A 506 -9.657 5.151 10.057 1.00 50.33 C ATOM 1057 CD GLN A 506 -10.940 4.814 10.798 1.00 11.11 C ATOM 1058 OE1 GLN A 506 -11.112 3.708 11.302 1.00 73.30 O ATOM 1059 NE2 GLN A 506 -11.846 5.747 10.859 1.00 13.34 N ATOM 0 H GLN A 506 -9.381 4.212 6.203 1.00 44.14 H new ATOM 0 HA GLN A 506 -9.189 2.787 8.693 1.00 51.35 H new ATOM 0 HB2 GLN A 506 -8.759 5.267 8.108 1.00 4.02 H new ATOM 0 HB3 GLN A 506 -10.501 5.455 8.104 1.00 4.02 H new ATOM 0 HG2 GLN A 506 -8.841 4.579 10.498 1.00 50.33 H new ATOM 0 HG3 GLN A 506 -9.430 6.205 10.217 1.00 50.33 H new ATOM 0 HE21 GLN A 506 -11.672 6.656 10.430 1.00 13.34 H new ATOM 0 HE22 GLN A 506 -12.730 5.569 11.336 1.00 13.34 H new ATOM 1068 N LYS A 507 -12.139 3.394 7.343 1.00 43.32 N ATOM 1069 CA LYS A 507 -13.560 3.093 7.342 1.00 22.42 C ATOM 1070 C LYS A 507 -13.793 1.592 7.105 1.00 32.25 C ATOM 1071 O LYS A 507 -14.755 1.010 7.615 1.00 34.31 O ATOM 1072 CB LYS A 507 -14.229 3.891 6.209 1.00 44.15 C ATOM 1073 CG LYS A 507 -15.743 4.017 6.283 1.00 54.54 C ATOM 1074 CD LYS A 507 -16.155 4.902 7.447 1.00 63.44 C ATOM 1075 CE LYS A 507 -17.645 5.195 7.428 1.00 12.43 C ATOM 1076 NZ LYS A 507 -18.037 6.080 8.545 1.00 44.15 N ATOM 0 H LYS A 507 -11.857 4.024 6.592 1.00 43.32 H new ATOM 0 HA LYS A 507 -13.986 3.365 8.308 1.00 22.42 H new ATOM 0 HB2 LYS A 507 -13.801 4.894 6.197 1.00 44.15 H new ATOM 0 HB3 LYS A 507 -13.970 3.422 5.260 1.00 44.15 H new ATOM 0 HG2 LYS A 507 -16.124 4.434 5.351 1.00 54.54 H new ATOM 0 HG3 LYS A 507 -16.189 3.029 6.396 1.00 54.54 H new ATOM 0 HD2 LYS A 507 -15.892 4.415 8.386 1.00 63.44 H new ATOM 0 HD3 LYS A 507 -15.599 5.839 7.407 1.00 63.44 H new ATOM 0 HE2 LYS A 507 -17.913 5.663 6.481 1.00 12.43 H new ATOM 0 HE3 LYS A 507 -18.202 4.260 7.491 1.00 12.43 H new ATOM 0 HZ1 LYS A 507 -19.060 6.260 8.503 1.00 44.15 H new ATOM 0 HZ2 LYS A 507 -17.803 5.622 9.449 1.00 44.15 H new ATOM 0 HZ3 LYS A 507 -17.524 6.981 8.470 1.00 44.15 H new ATOM 1090 N CYS A 508 -12.934 0.983 6.318 1.00 22.02 N ATOM 1091 CA CYS A 508 -13.102 -0.388 5.962 1.00 62.15 C ATOM 1092 C CYS A 508 -11.981 -1.336 6.470 1.00 20.44 C ATOM 1093 O CYS A 508 -11.807 -2.444 5.932 1.00 65.33 O ATOM 1094 CB CYS A 508 -13.322 -0.502 4.463 1.00 30.31 C ATOM 1095 SG CYS A 508 -14.726 0.469 3.853 1.00 24.33 S ATOM 0 H CYS A 508 -12.110 1.429 5.915 1.00 22.02 H new ATOM 0 HA CYS A 508 -13.990 -0.741 6.486 1.00 62.15 H new ATOM 0 HB2 CYS A 508 -12.418 -0.179 3.947 1.00 30.31 H new ATOM 0 HB3 CYS A 508 -13.478 -1.550 4.207 1.00 30.31 H new ATOM 0 HG CYS A 508 -14.836 0.313 2.567 1.00 24.33 H new ATOM 1101 N HIS A 509 -11.219 -0.932 7.473 1.00 73.43 N ATOM 1102 CA HIS A 509 -10.269 -1.868 8.073 1.00 61.53 C ATOM 1103 C HIS A 509 -11.075 -2.953 8.801 1.00 31.11 C ATOM 1104 O HIS A 509 -11.722 -2.663 9.819 1.00 60.44 O ATOM 1105 CB HIS A 509 -9.301 -1.164 9.051 1.00 0.04 C ATOM 1106 CG HIS A 509 -8.151 -2.043 9.498 1.00 55.14 C ATOM 1107 ND1 HIS A 509 -6.866 -1.921 9.021 1.00 54.41 N ATOM 1108 CD2 HIS A 509 -8.122 -3.080 10.371 1.00 32.22 C ATOM 1109 CE1 HIS A 509 -6.116 -2.864 9.589 1.00 1.01 C ATOM 1110 NE2 HIS A 509 -6.832 -3.604 10.422 1.00 61.33 N ATOM 0 H HIS A 509 -11.232 0.003 7.881 1.00 73.43 H new ATOM 0 HA HIS A 509 -9.652 -2.306 7.289 1.00 61.53 H new ATOM 0 HB2 HIS A 509 -8.900 -0.270 8.573 1.00 0.04 H new ATOM 0 HB3 HIS A 509 -9.858 -0.834 9.928 1.00 0.04 H new ATOM 0 HD2 HIS A 509 -8.966 -3.443 10.938 1.00 32.22 H new ATOM 0 HE1 HIS A 509 -5.063 -3.006 9.396 1.00 1.01 H new ATOM 0 HE2 HIS A 509 -6.507 -4.392 10.983 1.00 61.33 H new ATOM 1118 N LYS A 510 -11.072 -4.173 8.236 1.00 20.11 N ATOM 1119 CA LYS A 510 -11.857 -5.310 8.736 1.00 33.30 C ATOM 1120 C LYS A 510 -13.336 -5.017 8.632 1.00 0.10 C ATOM 1121 O LYS A 510 -14.092 -5.090 9.608 1.00 32.02 O ATOM 1122 CB LYS A 510 -11.467 -5.774 10.150 1.00 22.41 C ATOM 1123 CG LYS A 510 -10.363 -6.838 10.225 1.00 53.21 C ATOM 1124 CD LYS A 510 -9.005 -6.375 9.708 1.00 3.20 C ATOM 1125 CE LYS A 510 -7.971 -7.480 9.906 1.00 43.24 C ATOM 1126 NZ LYS A 510 -6.591 -7.066 9.573 1.00 53.12 N ATOM 0 H LYS A 510 -10.517 -4.397 7.410 1.00 20.11 H new ATOM 0 HA LYS A 510 -11.615 -6.154 8.090 1.00 33.30 H new ATOM 0 HB2 LYS A 510 -11.145 -4.903 10.721 1.00 22.41 H new ATOM 0 HB3 LYS A 510 -12.357 -6.167 10.641 1.00 22.41 H new ATOM 0 HG2 LYS A 510 -10.254 -7.158 11.261 1.00 53.21 H new ATOM 0 HG3 LYS A 510 -10.677 -7.711 9.653 1.00 53.21 H new ATOM 0 HD2 LYS A 510 -9.077 -6.117 8.651 1.00 3.20 H new ATOM 0 HD3 LYS A 510 -8.693 -5.474 10.236 1.00 3.20 H new ATOM 0 HE2 LYS A 510 -8.001 -7.813 10.944 1.00 43.24 H new ATOM 0 HE3 LYS A 510 -8.244 -8.336 9.289 1.00 43.24 H new ATOM 0 HZ1 LYS A 510 -5.915 -7.644 10.112 1.00 53.12 H new ATOM 0 HZ2 LYS A 510 -6.425 -7.198 8.555 1.00 53.12 H new ATOM 0 HZ3 LYS A 510 -6.461 -6.064 9.818 1.00 53.12 H new ATOM 1140 N LYS A 511 -13.729 -4.641 7.455 1.00 32.11 N ATOM 1141 CA LYS A 511 -15.074 -4.317 7.172 1.00 4.22 C ATOM 1142 C LYS A 511 -15.803 -5.561 6.746 1.00 30.23 C ATOM 1143 O LYS A 511 -15.252 -6.402 6.029 1.00 44.50 O ATOM 1144 CB LYS A 511 -15.119 -3.276 6.070 1.00 74.25 C ATOM 1145 CG LYS A 511 -16.477 -2.641 5.793 1.00 32.33 C ATOM 1146 CD LYS A 511 -17.021 -1.928 7.023 1.00 42.41 C ATOM 1147 CE LYS A 511 -18.265 -1.126 6.704 1.00 70.41 C ATOM 1148 NZ LYS A 511 -17.967 0.024 5.823 1.00 43.43 N ATOM 0 H LYS A 511 -13.103 -4.552 6.654 1.00 32.11 H new ATOM 0 HA LYS A 511 -15.555 -3.910 8.061 1.00 4.22 H new ATOM 0 HB2 LYS A 511 -14.415 -2.482 6.321 1.00 74.25 H new ATOM 0 HB3 LYS A 511 -14.763 -3.738 5.149 1.00 74.25 H new ATOM 0 HG2 LYS A 511 -16.387 -1.932 4.970 1.00 32.33 H new ATOM 0 HG3 LYS A 511 -17.181 -3.410 5.476 1.00 32.33 H new ATOM 0 HD2 LYS A 511 -17.250 -2.661 7.797 1.00 42.41 H new ATOM 0 HD3 LYS A 511 -16.255 -1.266 7.428 1.00 42.41 H new ATOM 0 HE2 LYS A 511 -19.000 -1.771 6.223 1.00 70.41 H new ATOM 0 HE3 LYS A 511 -18.714 -0.767 7.630 1.00 70.41 H new ATOM 0 HZ1 LYS A 511 -18.770 0.685 5.831 1.00 43.43 H new ATOM 0 HZ2 LYS A 511 -17.114 0.511 6.165 1.00 43.43 H new ATOM 0 HZ3 LYS A 511 -17.807 -0.314 4.853 1.00 43.43 H new ATOM 1162 N ASN A 512 -16.997 -5.694 7.200 1.00 1.11 N ATOM 1163 CA ASN A 512 -17.824 -6.814 6.816 1.00 33.45 C ATOM 1164 C ASN A 512 -18.349 -6.557 5.415 1.00 55.04 C ATOM 1165 O ASN A 512 -18.979 -5.530 5.154 1.00 43.24 O ATOM 1166 CB ASN A 512 -19.030 -7.012 7.767 1.00 15.34 C ATOM 1167 CG ASN A 512 -18.676 -7.365 9.204 1.00 72.32 C ATOM 1168 OD1 ASN A 512 -18.556 -8.530 9.569 1.00 34.23 O ATOM 1169 ND2 ASN A 512 -18.539 -6.381 10.039 1.00 71.31 N ATOM 0 H ASN A 512 -17.440 -5.041 7.846 1.00 1.11 H new ATOM 0 HA ASN A 512 -17.214 -7.716 6.863 1.00 33.45 H new ATOM 0 HB2 ASN A 512 -19.622 -6.097 7.771 1.00 15.34 H new ATOM 0 HB3 ASN A 512 -19.664 -7.801 7.363 1.00 15.34 H new ATOM 0 HD21 ASN A 512 -18.328 -6.569 11.019 1.00 71.31 H new ATOM 0 HD22 ASN A 512 -18.643 -5.419 9.715 1.00 71.31 H new ATOM 1176 N MET A 513 -18.059 -7.444 4.529 1.00 1.24 N ATOM 1177 CA MET A 513 -18.527 -7.384 3.180 1.00 52.33 C ATOM 1178 C MET A 513 -19.603 -8.438 3.081 1.00 60.52 C ATOM 1179 O MET A 513 -19.361 -9.577 2.654 1.00 63.54 O ATOM 1180 CB MET A 513 -17.369 -7.648 2.208 1.00 32.31 C ATOM 1181 CG MET A 513 -17.672 -7.432 0.733 1.00 54.54 C ATOM 1182 SD MET A 513 -16.202 -7.710 -0.285 1.00 53.42 S ATOM 1183 CE MET A 513 -16.776 -7.210 -1.902 1.00 34.30 C ATOM 0 H MET A 513 -17.473 -8.256 4.724 1.00 1.24 H new ATOM 0 HA MET A 513 -18.924 -6.404 2.917 1.00 52.33 H new ATOM 0 HB2 MET A 513 -16.535 -7.004 2.485 1.00 32.31 H new ATOM 0 HB3 MET A 513 -17.035 -8.677 2.343 1.00 32.31 H new ATOM 0 HG2 MET A 513 -18.468 -8.108 0.420 1.00 54.54 H new ATOM 0 HG3 MET A 513 -18.037 -6.417 0.579 1.00 54.54 H new ATOM 0 HE1 MET A 513 -15.969 -6.707 -2.435 1.00 34.30 H new ATOM 0 HE2 MET A 513 -17.089 -8.089 -2.465 1.00 34.30 H new ATOM 0 HE3 MET A 513 -17.620 -6.529 -1.794 1.00 34.30 H new ATOM 1193 N LYS A 514 -20.756 -8.076 3.618 1.00 62.41 N ATOM 1194 CA LYS A 514 -21.910 -8.948 3.809 1.00 4.01 C ATOM 1195 C LYS A 514 -21.613 -9.975 4.889 1.00 3.43 C ATOM 1196 O LYS A 514 -21.938 -9.780 6.049 1.00 53.11 O ATOM 1197 CB LYS A 514 -22.447 -9.613 2.513 1.00 12.42 C ATOM 1198 CG LYS A 514 -22.930 -8.630 1.442 1.00 65.51 C ATOM 1199 CD LYS A 514 -21.936 -8.490 0.294 1.00 23.11 C ATOM 1200 CE LYS A 514 -21.871 -9.771 -0.527 1.00 22.23 C ATOM 1201 NZ LYS A 514 -20.897 -9.697 -1.626 1.00 33.42 N ATOM 0 H LYS A 514 -20.924 -7.126 3.948 1.00 62.41 H new ATOM 0 HA LYS A 514 -22.726 -8.303 4.134 1.00 4.01 H new ATOM 0 HB2 LYS A 514 -21.660 -10.235 2.087 1.00 12.42 H new ATOM 0 HB3 LYS A 514 -23.271 -10.277 2.776 1.00 12.42 H new ATOM 0 HG2 LYS A 514 -23.890 -8.966 1.050 1.00 65.51 H new ATOM 0 HG3 LYS A 514 -23.096 -7.653 1.897 1.00 65.51 H new ATOM 0 HD2 LYS A 514 -22.228 -7.657 -0.346 1.00 23.11 H new ATOM 0 HD3 LYS A 514 -20.948 -8.256 0.690 1.00 23.11 H new ATOM 0 HE2 LYS A 514 -21.611 -10.603 0.127 1.00 22.23 H new ATOM 0 HE3 LYS A 514 -22.858 -9.985 -0.937 1.00 22.23 H new ATOM 0 HZ1 LYS A 514 -21.370 -9.921 -2.525 1.00 33.42 H new ATOM 0 HZ2 LYS A 514 -20.500 -8.737 -1.674 1.00 33.42 H new ATOM 0 HZ3 LYS A 514 -20.131 -10.380 -1.458 1.00 33.42 H new ATOM 1215 N ASP A 515 -20.940 -11.019 4.518 1.00 53.45 N ATOM 1216 CA ASP A 515 -20.581 -12.068 5.451 1.00 45.11 C ATOM 1217 C ASP A 515 -19.069 -12.325 5.429 1.00 15.15 C ATOM 1218 O ASP A 515 -18.522 -13.078 6.232 1.00 31.24 O ATOM 1219 CB ASP A 515 -21.395 -13.339 5.175 1.00 61.14 C ATOM 1220 CG ASP A 515 -21.094 -14.483 6.121 1.00 11.22 C ATOM 1221 OD1 ASP A 515 -21.464 -14.409 7.319 1.00 54.31 O ATOM 1222 OD2 ASP A 515 -20.522 -15.496 5.669 1.00 23.03 O ATOM 0 H ASP A 515 -20.619 -11.178 3.563 1.00 53.45 H new ATOM 0 HA ASP A 515 -20.831 -11.740 6.460 1.00 45.11 H new ATOM 0 HB2 ASP A 515 -22.456 -13.099 5.238 1.00 61.14 H new ATOM 0 HB3 ASP A 515 -21.203 -13.666 4.153 1.00 61.14 H new ATOM 1227 N ARG A 516 -18.400 -11.654 4.535 1.00 61.55 N ATOM 1228 CA ARG A 516 -16.962 -11.770 4.394 1.00 33.42 C ATOM 1229 C ARG A 516 -16.344 -10.655 5.216 1.00 12.14 C ATOM 1230 O ARG A 516 -17.017 -9.702 5.551 1.00 13.13 O ATOM 1231 CB ARG A 516 -16.599 -11.607 2.910 1.00 64.21 C ATOM 1232 CG ARG A 516 -15.127 -11.779 2.536 1.00 62.31 C ATOM 1233 CD ARG A 516 -14.613 -13.166 2.853 1.00 10.30 C ATOM 1234 NE ARG A 516 -13.273 -13.385 2.310 1.00 2.14 N ATOM 1235 CZ ARG A 516 -12.660 -14.576 2.253 1.00 5.33 C ATOM 1236 NH1 ARG A 516 -13.182 -15.628 2.874 1.00 32.21 N ATOM 1237 NH2 ARG A 516 -11.511 -14.708 1.598 1.00 71.23 N ATOM 0 H ARG A 516 -18.832 -11.006 3.876 1.00 61.55 H new ATOM 0 HA ARG A 516 -16.596 -12.738 4.737 1.00 33.42 H new ATOM 0 HB2 ARG A 516 -17.181 -12.329 2.337 1.00 64.21 H new ATOM 0 HB3 ARG A 516 -16.917 -10.615 2.590 1.00 64.21 H new ATOM 0 HG2 ARG A 516 -14.999 -11.581 1.472 1.00 62.31 H new ATOM 0 HG3 ARG A 516 -14.530 -11.041 3.072 1.00 62.31 H new ATOM 0 HD2 ARG A 516 -14.595 -13.309 3.933 1.00 10.30 H new ATOM 0 HD3 ARG A 516 -15.297 -13.910 2.444 1.00 10.30 H new ATOM 0 HE ARG A 516 -12.769 -12.575 1.949 1.00 2.14 H new ATOM 0 HH11 ARG A 516 -14.053 -15.531 3.397 1.00 32.21 H new ATOM 0 HH12 ARG A 516 -12.712 -16.532 2.828 1.00 32.21 H new ATOM 0 HH21 ARG A 516 -11.092 -13.901 1.136 1.00 71.23 H new ATOM 0 HH22 ARG A 516 -11.048 -15.616 1.558 1.00 71.23 H new ATOM 1251 N TYR A 517 -15.113 -10.777 5.563 1.00 34.41 N ATOM 1252 CA TYR A 517 -14.445 -9.747 6.297 1.00 41.12 C ATOM 1253 C TYR A 517 -13.269 -9.298 5.448 1.00 31.15 C ATOM 1254 O TYR A 517 -12.380 -10.101 5.139 1.00 14.04 O ATOM 1255 CB TYR A 517 -13.915 -10.297 7.606 1.00 53.02 C ATOM 1256 CG TYR A 517 -14.918 -11.089 8.430 1.00 45.22 C ATOM 1257 CD1 TYR A 517 -16.067 -10.495 8.923 1.00 41.13 C ATOM 1258 CD2 TYR A 517 -14.701 -12.433 8.719 1.00 70.23 C ATOM 1259 CE1 TYR A 517 -16.974 -11.212 9.679 1.00 51.25 C ATOM 1260 CE2 TYR A 517 -15.606 -13.156 9.476 1.00 63.01 C ATOM 1261 CZ TYR A 517 -16.743 -12.538 9.951 1.00 33.50 C ATOM 1262 OH TYR A 517 -17.649 -13.249 10.724 1.00 62.22 O ATOM 0 H TYR A 517 -14.535 -11.590 5.350 1.00 34.41 H new ATOM 0 HA TYR A 517 -15.129 -8.927 6.514 1.00 41.12 H new ATOM 0 HB2 TYR A 517 -13.059 -10.937 7.392 1.00 53.02 H new ATOM 0 HB3 TYR A 517 -13.549 -9.466 8.209 1.00 53.02 H new ATOM 0 HD1 TYR A 517 -16.258 -9.453 8.713 1.00 41.13 H new ATOM 0 HD2 TYR A 517 -13.812 -12.920 8.346 1.00 70.23 H new ATOM 0 HE1 TYR A 517 -17.864 -10.730 10.056 1.00 51.25 H new ATOM 0 HE2 TYR A 517 -15.423 -14.198 9.693 1.00 63.01 H new ATOM 0 HH TYR A 517 -17.340 -14.174 10.822 1.00 62.22 H new ATOM 1272 N VAL A 518 -13.266 -8.067 5.062 1.00 35.23 N ATOM 1273 CA VAL A 518 -12.256 -7.540 4.176 1.00 60.24 C ATOM 1274 C VAL A 518 -11.367 -6.518 4.886 1.00 5.14 C ATOM 1275 O VAL A 518 -11.841 -5.654 5.621 1.00 63.12 O ATOM 1276 CB VAL A 518 -12.921 -6.903 2.930 1.00 10.43 C ATOM 1277 CG1 VAL A 518 -11.895 -6.244 2.008 1.00 51.13 C ATOM 1278 CG2 VAL A 518 -13.704 -7.950 2.162 1.00 72.13 C ATOM 0 H VAL A 518 -13.966 -7.383 5.349 1.00 35.23 H new ATOM 0 HA VAL A 518 -11.621 -8.367 3.859 1.00 60.24 H new ATOM 0 HB VAL A 518 -13.598 -6.126 3.284 1.00 10.43 H new ATOM 0 HG11 VAL A 518 -12.405 -5.810 1.148 1.00 51.13 H new ATOM 0 HG12 VAL A 518 -11.369 -5.459 2.551 1.00 51.13 H new ATOM 0 HG13 VAL A 518 -11.179 -6.992 1.667 1.00 51.13 H new ATOM 0 HG21 VAL A 518 -14.167 -7.490 1.289 1.00 72.13 H new ATOM 0 HG22 VAL A 518 -13.031 -8.744 1.840 1.00 72.13 H new ATOM 0 HG23 VAL A 518 -14.478 -8.369 2.804 1.00 72.13 H new ATOM 1288 N GLU A 519 -10.092 -6.655 4.677 1.00 74.12 N ATOM 1289 CA GLU A 519 -9.103 -5.762 5.199 1.00 62.22 C ATOM 1290 C GLU A 519 -8.782 -4.739 4.143 1.00 4.00 C ATOM 1291 O GLU A 519 -8.299 -5.087 3.077 1.00 70.31 O ATOM 1292 CB GLU A 519 -7.841 -6.546 5.541 1.00 43.21 C ATOM 1293 CG GLU A 519 -6.652 -5.689 5.929 1.00 42.54 C ATOM 1294 CD GLU A 519 -5.432 -6.514 6.165 1.00 43.44 C ATOM 1295 OE1 GLU A 519 -5.233 -6.950 7.299 1.00 1.12 O ATOM 1296 OE2 GLU A 519 -4.657 -6.774 5.212 1.00 33.14 O ATOM 0 H GLU A 519 -9.700 -7.415 4.121 1.00 74.12 H new ATOM 0 HA GLU A 519 -9.477 -5.272 6.098 1.00 62.22 H new ATOM 0 HB2 GLU A 519 -8.064 -7.228 6.361 1.00 43.21 H new ATOM 0 HB3 GLU A 519 -7.566 -7.159 4.683 1.00 43.21 H new ATOM 0 HG2 GLU A 519 -6.454 -4.963 5.140 1.00 42.54 H new ATOM 0 HG3 GLU A 519 -6.889 -5.124 6.830 1.00 42.54 H new ATOM 1303 N VAL A 520 -9.104 -3.518 4.399 1.00 60.32 N ATOM 1304 CA VAL A 520 -8.776 -2.458 3.490 1.00 33.02 C ATOM 1305 C VAL A 520 -7.662 -1.601 4.146 1.00 25.41 C ATOM 1306 O VAL A 520 -7.894 -0.983 5.180 1.00 31.33 O ATOM 1307 CB VAL A 520 -10.056 -1.614 3.218 1.00 2.14 C ATOM 1308 CG1 VAL A 520 -9.815 -0.479 2.261 1.00 24.33 C ATOM 1309 CG2 VAL A 520 -11.187 -2.507 2.711 1.00 2.23 C ATOM 0 H VAL A 520 -9.600 -3.220 5.239 1.00 60.32 H new ATOM 0 HA VAL A 520 -8.416 -2.843 2.536 1.00 33.02 H new ATOM 0 HB VAL A 520 -10.346 -1.168 4.169 1.00 2.14 H new ATOM 0 HG11 VAL A 520 -10.743 0.073 2.110 1.00 24.33 H new ATOM 0 HG12 VAL A 520 -9.058 0.189 2.672 1.00 24.33 H new ATOM 0 HG13 VAL A 520 -9.469 -0.875 1.306 1.00 24.33 H new ATOM 0 HG21 VAL A 520 -12.074 -1.901 2.526 1.00 2.23 H new ATOM 0 HG22 VAL A 520 -10.880 -2.993 1.785 1.00 2.23 H new ATOM 0 HG23 VAL A 520 -11.415 -3.265 3.460 1.00 2.23 H new ATOM 1319 N PHE A 521 -6.455 -1.613 3.581 1.00 43.10 N ATOM 1320 CA PHE A 521 -5.310 -0.925 4.204 1.00 23.10 C ATOM 1321 C PHE A 521 -4.603 0.013 3.215 1.00 10.21 C ATOM 1322 O PHE A 521 -4.138 -0.428 2.175 1.00 44.31 O ATOM 1323 CB PHE A 521 -4.318 -1.977 4.703 1.00 54.35 C ATOM 1324 CG PHE A 521 -3.224 -1.437 5.588 1.00 23.10 C ATOM 1325 CD1 PHE A 521 -3.482 -1.118 6.911 1.00 42.53 C ATOM 1326 CD2 PHE A 521 -1.943 -1.254 5.101 1.00 24.40 C ATOM 1327 CE1 PHE A 521 -2.486 -0.625 7.727 1.00 32.04 C ATOM 1328 CE2 PHE A 521 -0.943 -0.762 5.912 1.00 64.02 C ATOM 1329 CZ PHE A 521 -1.214 -0.446 7.226 1.00 63.45 C ATOM 0 H PHE A 521 -6.239 -2.084 2.703 1.00 43.10 H new ATOM 0 HA PHE A 521 -5.681 -0.318 5.030 1.00 23.10 H new ATOM 0 HB2 PHE A 521 -4.866 -2.743 5.251 1.00 54.35 H new ATOM 0 HB3 PHE A 521 -3.863 -2.466 3.842 1.00 54.35 H new ATOM 0 HD1 PHE A 521 -4.476 -1.257 7.309 1.00 42.53 H new ATOM 0 HD2 PHE A 521 -1.723 -1.500 4.073 1.00 24.40 H new ATOM 0 HE1 PHE A 521 -2.702 -0.380 8.756 1.00 32.04 H new ATOM 0 HE2 PHE A 521 0.053 -0.624 5.518 1.00 64.02 H new ATOM 0 HZ PHE A 521 -0.432 -0.059 7.862 1.00 63.45 H new ATOM 1339 N GLN A 522 -4.491 1.289 3.559 1.00 13.34 N ATOM 1340 CA GLN A 522 -3.857 2.283 2.680 1.00 1.52 C ATOM 1341 C GLN A 522 -2.350 2.063 2.607 1.00 72.20 C ATOM 1342 O GLN A 522 -1.693 1.820 3.628 1.00 42.12 O ATOM 1343 CB GLN A 522 -4.242 3.724 3.122 1.00 61.32 C ATOM 1344 CG GLN A 522 -3.659 4.896 2.300 1.00 70.01 C ATOM 1345 CD GLN A 522 -2.277 5.359 2.763 1.00 71.44 C ATOM 1346 OE1 GLN A 522 -1.253 4.878 2.310 1.00 11.13 O ATOM 1347 NE2 GLN A 522 -2.250 6.303 3.657 1.00 71.03 N ATOM 0 H GLN A 522 -4.830 1.669 4.443 1.00 13.34 H new ATOM 0 HA GLN A 522 -4.234 2.154 1.665 1.00 1.52 H new ATOM 0 HB2 GLN A 522 -5.329 3.805 3.101 1.00 61.32 H new ATOM 0 HB3 GLN A 522 -3.933 3.853 4.159 1.00 61.32 H new ATOM 0 HG2 GLN A 522 -3.598 4.596 1.254 1.00 70.01 H new ATOM 0 HG3 GLN A 522 -4.348 5.739 2.351 1.00 70.01 H new ATOM 0 HE21 GLN A 522 -3.123 6.688 4.019 1.00 71.03 H new ATOM 0 HE22 GLN A 522 -1.356 6.659 3.996 1.00 71.03 H new ATOM 1356 N CYS A 523 -1.831 2.143 1.413 1.00 42.14 N ATOM 1357 CA CYS A 523 -0.439 1.910 1.112 1.00 44.53 C ATOM 1358 C CYS A 523 0.001 2.853 -0.017 1.00 54.42 C ATOM 1359 O CYS A 523 -0.823 3.530 -0.647 1.00 33.25 O ATOM 1360 CB CYS A 523 -0.230 0.453 0.650 1.00 75.24 C ATOM 1361 SG CYS A 523 -0.801 -0.813 1.816 1.00 42.22 S ATOM 0 H CYS A 523 -2.384 2.381 0.590 1.00 42.14 H new ATOM 0 HA CYS A 523 0.151 2.094 2.010 1.00 44.53 H new ATOM 0 HB2 CYS A 523 -0.748 0.311 -0.299 1.00 75.24 H new ATOM 0 HB3 CYS A 523 0.832 0.297 0.460 1.00 75.24 H new ATOM 0 HG CYS A 523 -2.085 -0.700 1.985 1.00 42.22 H new ATOM 1367 N SER A 524 1.275 2.895 -0.264 1.00 23.25 N ATOM 1368 CA SER A 524 1.806 3.669 -1.347 1.00 73.22 C ATOM 1369 C SER A 524 1.698 2.878 -2.625 1.00 22.33 C ATOM 1370 O SER A 524 1.695 1.627 -2.608 1.00 74.30 O ATOM 1371 CB SER A 524 3.280 4.029 -1.082 1.00 43.32 C ATOM 1372 OG SER A 524 3.854 4.738 -2.180 1.00 44.35 O ATOM 0 H SER A 524 1.977 2.393 0.280 1.00 23.25 H new ATOM 0 HA SER A 524 1.234 4.593 -1.435 1.00 73.22 H new ATOM 0 HB2 SER A 524 3.350 4.636 -0.180 1.00 43.32 H new ATOM 0 HB3 SER A 524 3.850 3.118 -0.898 1.00 43.32 H new ATOM 0 HG SER A 524 4.789 4.952 -1.978 1.00 44.35 H new ATOM 1378 N ALA A 525 1.635 3.593 -3.729 1.00 63.11 N ATOM 1379 CA ALA A 525 1.630 2.988 -5.027 1.00 2.15 C ATOM 1380 C ALA A 525 2.963 2.291 -5.268 1.00 54.30 C ATOM 1381 O ALA A 525 3.035 1.347 -6.038 1.00 30.12 O ATOM 1382 CB ALA A 525 1.373 4.032 -6.089 1.00 11.40 C ATOM 0 H ALA A 525 1.586 4.612 -3.742 1.00 63.11 H new ATOM 0 HA ALA A 525 0.831 2.248 -5.078 1.00 2.15 H new ATOM 0 HB1 ALA A 525 1.372 3.559 -7.071 1.00 11.40 H new ATOM 0 HB2 ALA A 525 0.406 4.502 -5.911 1.00 11.40 H new ATOM 0 HB3 ALA A 525 2.156 4.789 -6.052 1.00 11.40 H new ATOM 1388 N GLU A 526 4.008 2.739 -4.553 1.00 12.35 N ATOM 1389 CA GLU A 526 5.316 2.125 -4.649 1.00 72.03 C ATOM 1390 C GLU A 526 5.229 0.673 -4.164 1.00 15.34 C ATOM 1391 O GLU A 526 5.702 -0.236 -4.829 1.00 32.11 O ATOM 1392 CB GLU A 526 6.347 2.906 -3.824 1.00 10.05 C ATOM 1393 CG GLU A 526 7.768 2.378 -3.955 1.00 65.32 C ATOM 1394 CD GLU A 526 8.747 3.096 -3.066 1.00 54.43 C ATOM 1395 OE1 GLU A 526 9.359 4.085 -3.503 1.00 70.31 O ATOM 1396 OE2 GLU A 526 8.932 2.667 -1.902 1.00 22.40 O ATOM 0 H GLU A 526 3.959 3.526 -3.905 1.00 12.35 H new ATOM 0 HA GLU A 526 5.641 2.141 -5.689 1.00 72.03 H new ATOM 0 HB2 GLU A 526 6.328 3.951 -4.132 1.00 10.05 H new ATOM 0 HB3 GLU A 526 6.055 2.878 -2.774 1.00 10.05 H new ATOM 0 HG2 GLU A 526 7.778 1.315 -3.713 1.00 65.32 H new ATOM 0 HG3 GLU A 526 8.091 2.472 -4.992 1.00 65.32 H new ATOM 1403 N GLU A 527 4.549 0.468 -3.030 1.00 23.11 N ATOM 1404 CA GLU A 527 4.359 -0.870 -2.473 1.00 32.11 C ATOM 1405 C GLU A 527 3.524 -1.711 -3.423 1.00 34.35 C ATOM 1406 O GLU A 527 3.804 -2.886 -3.642 1.00 12.01 O ATOM 1407 CB GLU A 527 3.667 -0.823 -1.103 1.00 41.14 C ATOM 1408 CG GLU A 527 4.425 -0.086 -0.012 1.00 41.44 C ATOM 1409 CD GLU A 527 5.790 -0.666 0.260 1.00 51.30 C ATOM 1410 OE1 GLU A 527 5.890 -1.843 0.673 1.00 11.41 O ATOM 1411 OE2 GLU A 527 6.787 0.062 0.107 1.00 71.34 O ATOM 0 H GLU A 527 4.122 1.215 -2.482 1.00 23.11 H new ATOM 0 HA GLU A 527 5.346 -1.315 -2.343 1.00 32.11 H new ATOM 0 HB2 GLU A 527 2.691 -0.353 -1.224 1.00 41.14 H new ATOM 0 HB3 GLU A 527 3.489 -1.846 -0.770 1.00 41.14 H new ATOM 0 HG2 GLU A 527 4.532 0.961 -0.297 1.00 41.44 H new ATOM 0 HG3 GLU A 527 3.839 -0.108 0.907 1.00 41.44 H new ATOM 1418 N MET A 528 2.513 -1.085 -3.991 1.00 11.44 N ATOM 1419 CA MET A 528 1.623 -1.728 -4.948 1.00 4.42 C ATOM 1420 C MET A 528 2.406 -2.212 -6.156 1.00 63.03 C ATOM 1421 O MET A 528 2.294 -3.365 -6.561 1.00 35.23 O ATOM 1422 CB MET A 528 0.519 -0.742 -5.372 1.00 45.03 C ATOM 1423 CG MET A 528 -0.388 -1.219 -6.501 1.00 34.13 C ATOM 1424 SD MET A 528 -1.615 0.027 -6.957 1.00 42.23 S ATOM 1425 CE MET A 528 -2.447 -0.789 -8.320 1.00 63.42 C ATOM 0 H MET A 528 2.281 -0.110 -3.803 1.00 11.44 H new ATOM 0 HA MET A 528 1.158 -2.595 -4.478 1.00 4.42 H new ATOM 0 HB2 MET A 528 -0.099 -0.519 -4.502 1.00 45.03 H new ATOM 0 HB3 MET A 528 0.989 0.193 -5.677 1.00 45.03 H new ATOM 0 HG2 MET A 528 0.218 -1.467 -7.372 1.00 34.13 H new ATOM 0 HG3 MET A 528 -0.896 -2.134 -6.196 1.00 34.13 H new ATOM 0 HE1 MET A 528 -3.425 -0.333 -8.475 1.00 63.42 H new ATOM 0 HE2 MET A 528 -1.850 -0.685 -9.226 1.00 63.42 H new ATOM 0 HE3 MET A 528 -2.573 -1.847 -8.089 1.00 63.42 H new ATOM 1435 N ASN A 529 3.235 -1.340 -6.672 1.00 44.10 N ATOM 1436 CA ASN A 529 4.042 -1.613 -7.846 1.00 41.41 C ATOM 1437 C ASN A 529 5.073 -2.676 -7.532 1.00 60.51 C ATOM 1438 O ASN A 529 5.331 -3.572 -8.340 1.00 52.53 O ATOM 1439 CB ASN A 529 4.713 -0.321 -8.322 1.00 1.45 C ATOM 1440 CG ASN A 529 5.534 -0.502 -9.574 1.00 5.30 C ATOM 1441 OD1 ASN A 529 6.733 -0.765 -9.522 1.00 13.24 O ATOM 1442 ND2 ASN A 529 4.901 -0.365 -10.709 1.00 54.24 N ATOM 0 H ASN A 529 3.374 -0.406 -6.287 1.00 44.10 H new ATOM 0 HA ASN A 529 3.404 -1.987 -8.647 1.00 41.41 H new ATOM 0 HB2 ASN A 529 3.947 0.433 -8.504 1.00 1.45 H new ATOM 0 HB3 ASN A 529 5.354 0.061 -7.528 1.00 1.45 H new ATOM 0 HD21 ASN A 529 5.403 -0.477 -11.590 1.00 54.24 H new ATOM 0 HD22 ASN A 529 3.905 -0.146 -10.714 1.00 54.24 H new ATOM 1449 N PHE A 530 5.605 -2.604 -6.333 1.00 11.21 N ATOM 1450 CA PHE A 530 6.588 -3.542 -5.854 1.00 54.02 C ATOM 1451 C PHE A 530 5.983 -4.948 -5.789 1.00 52.40 C ATOM 1452 O PHE A 530 6.606 -5.916 -6.228 1.00 44.01 O ATOM 1453 CB PHE A 530 7.113 -3.080 -4.485 1.00 22.54 C ATOM 1454 CG PHE A 530 8.249 -3.878 -3.922 1.00 64.12 C ATOM 1455 CD1 PHE A 530 9.519 -3.775 -4.468 1.00 22.54 C ATOM 1456 CD2 PHE A 530 8.059 -4.701 -2.828 1.00 75.44 C ATOM 1457 CE1 PHE A 530 10.573 -4.484 -3.934 1.00 50.31 C ATOM 1458 CE2 PHE A 530 9.109 -5.415 -2.291 1.00 24.43 C ATOM 1459 CZ PHE A 530 10.366 -5.306 -2.845 1.00 31.41 C ATOM 0 H PHE A 530 5.362 -1.881 -5.656 1.00 11.21 H new ATOM 0 HA PHE A 530 7.432 -3.581 -6.543 1.00 54.02 H new ATOM 0 HB2 PHE A 530 7.430 -2.041 -4.570 1.00 22.54 H new ATOM 0 HB3 PHE A 530 6.288 -3.104 -3.773 1.00 22.54 H new ATOM 0 HD1 PHE A 530 9.684 -3.133 -5.320 1.00 22.54 H new ATOM 0 HD2 PHE A 530 7.076 -4.786 -2.389 1.00 75.44 H new ATOM 0 HE1 PHE A 530 11.559 -4.397 -4.367 1.00 50.31 H new ATOM 0 HE2 PHE A 530 8.947 -6.058 -1.439 1.00 24.43 H new ATOM 0 HZ PHE A 530 11.190 -5.865 -2.426 1.00 31.41 H new ATOM 1469 N VAL A 531 4.750 -5.053 -5.296 1.00 24.03 N ATOM 1470 CA VAL A 531 4.082 -6.343 -5.231 1.00 54.32 C ATOM 1471 C VAL A 531 3.724 -6.833 -6.641 1.00 63.11 C ATOM 1472 O VAL A 531 3.865 -8.020 -6.950 1.00 33.31 O ATOM 1473 CB VAL A 531 2.819 -6.321 -4.312 1.00 32.25 C ATOM 1474 CG1 VAL A 531 2.118 -7.679 -4.304 1.00 71.55 C ATOM 1475 CG2 VAL A 531 3.209 -5.939 -2.890 1.00 30.20 C ATOM 0 H VAL A 531 4.203 -4.269 -4.941 1.00 24.03 H new ATOM 0 HA VAL A 531 4.784 -7.044 -4.779 1.00 54.32 H new ATOM 0 HB VAL A 531 2.129 -5.578 -4.711 1.00 32.25 H new ATOM 0 HG11 VAL A 531 1.243 -7.633 -3.656 1.00 71.55 H new ATOM 0 HG12 VAL A 531 1.806 -7.934 -5.317 1.00 71.55 H new ATOM 0 HG13 VAL A 531 2.804 -8.440 -3.933 1.00 71.55 H new ATOM 0 HG21 VAL A 531 2.320 -5.927 -2.260 1.00 30.20 H new ATOM 0 HG22 VAL A 531 3.921 -6.667 -2.500 1.00 30.20 H new ATOM 0 HG23 VAL A 531 3.666 -4.949 -2.891 1.00 30.20 H new ATOM 1485 N LEU A 532 3.331 -5.905 -7.514 1.00 20.12 N ATOM 1486 CA LEU A 532 2.970 -6.237 -8.897 1.00 41.01 C ATOM 1487 C LEU A 532 4.175 -6.737 -9.694 1.00 4.54 C ATOM 1488 O LEU A 532 4.027 -7.476 -10.667 1.00 61.21 O ATOM 1489 CB LEU A 532 2.318 -5.046 -9.615 1.00 5.15 C ATOM 1490 CG LEU A 532 0.969 -4.558 -9.062 1.00 23.31 C ATOM 1491 CD1 LEU A 532 0.468 -3.367 -9.862 1.00 41.21 C ATOM 1492 CD2 LEU A 532 -0.068 -5.680 -9.073 1.00 63.24 C ATOM 0 H LEU A 532 3.254 -4.913 -7.289 1.00 20.12 H new ATOM 0 HA LEU A 532 2.240 -7.045 -8.842 1.00 41.01 H new ATOM 0 HB2 LEU A 532 3.017 -4.210 -9.591 1.00 5.15 H new ATOM 0 HB3 LEU A 532 2.179 -5.315 -10.662 1.00 5.15 H new ATOM 0 HG LEU A 532 1.121 -4.248 -8.028 1.00 23.31 H new ATOM 0 HD11 LEU A 532 -0.488 -3.033 -9.458 1.00 41.21 H new ATOM 0 HD12 LEU A 532 1.192 -2.555 -9.798 1.00 41.21 H new ATOM 0 HD13 LEU A 532 0.340 -3.657 -10.905 1.00 41.21 H new ATOM 0 HD21 LEU A 532 -1.012 -5.307 -8.677 1.00 63.24 H new ATOM 0 HD22 LEU A 532 -0.216 -6.029 -10.095 1.00 63.24 H new ATOM 0 HD23 LEU A 532 0.283 -6.506 -8.455 1.00 63.24 H new