USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=16 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 446 CYS SG : rot 2:sc= 0.312 USER MOD Set 1.2: A 494 GLN : amide:sc= 0.0884 X(o=0.4,f=0.26) USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 470 THR OG1 : rot -27:sc= 0.26 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 475 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 1 K(o=1,f=-6.7!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -0.868 K(o=-0.87,f=0) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl 179:sc= -0.557 (180deg=-0.557) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot -122:sc= 1.22 USER MOD Single : A 503 MET CE :methyl -161:sc= -0.138 (180deg=-0.636) USER MOD Single : A 506 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 508 CYS SG : rot 83:sc= 0.197 USER MOD Single : A 509 HIS : no HE2:sc= 0.879 K(o=0.88,f=-3.3!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 513 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 LYS NZ :NH3+ -156:sc= 1.9 (180deg=1.09!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0.774 K(o=0.77,f=-7.3!) USER MOD Single : A 523 CYS SG : rot -14:sc= 0.507 USER MOD Single : A 524 SER OG : rot -67:sc= 0.71 USER MOD Single : A 528 MET CE :methyl -117:sc= 0 (180deg=-0.228) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 1.964 8.367 -4.122 1.00 51.40 N ATOM 77 CA VAL A 443 1.240 8.887 -2.981 1.00 24.41 C ATOM 78 C VAL A 443 0.612 7.690 -2.256 1.00 73.15 C ATOM 79 O VAL A 443 0.610 6.570 -2.793 1.00 53.03 O ATOM 80 CB VAL A 443 0.124 9.891 -3.463 1.00 32.32 C ATOM 81 CG1 VAL A 443 -0.569 10.599 -2.315 1.00 2.31 C ATOM 82 CG2 VAL A 443 0.692 10.911 -4.427 1.00 34.40 C ATOM 0 HA VAL A 443 1.906 9.430 -2.310 1.00 24.41 H new ATOM 0 HB VAL A 443 -0.626 9.287 -3.974 1.00 32.32 H new ATOM 0 HG11 VAL A 443 -1.326 11.276 -2.709 1.00 2.31 H new ATOM 0 HG12 VAL A 443 -1.043 9.862 -1.666 1.00 2.31 H new ATOM 0 HG13 VAL A 443 0.164 11.168 -1.743 1.00 2.31 H new ATOM 0 HG21 VAL A 443 -0.098 11.591 -4.744 1.00 34.40 H new ATOM 0 HG22 VAL A 443 1.482 11.477 -3.934 1.00 34.40 H new ATOM 0 HG23 VAL A 443 1.102 10.400 -5.298 1.00 34.40 H new ATOM 92 N ARG A 444 0.139 7.893 -1.042 1.00 61.24 N ATOM 93 CA ARG A 444 -0.563 6.858 -0.284 1.00 11.00 C ATOM 94 C ARG A 444 -2.021 6.843 -0.672 1.00 20.32 C ATOM 95 O ARG A 444 -2.918 6.872 0.162 1.00 30.43 O ATOM 96 CB ARG A 444 -0.408 7.056 1.224 1.00 72.30 C ATOM 97 CG ARG A 444 0.998 6.844 1.747 1.00 4.30 C ATOM 98 CD ARG A 444 1.081 7.117 3.242 1.00 30.33 C ATOM 99 NE ARG A 444 0.111 6.313 4.014 1.00 11.43 N ATOM 100 CZ ARG A 444 0.427 5.398 4.955 1.00 41.13 C ATOM 101 NH1 ARG A 444 1.694 5.144 5.252 1.00 51.40 N ATOM 102 NH2 ARG A 444 -0.538 4.756 5.609 1.00 73.42 N ATOM 0 H ARG A 444 0.227 8.780 -0.546 1.00 61.24 H new ATOM 0 HA ARG A 444 -0.115 5.895 -0.529 1.00 11.00 H new ATOM 0 HB2 ARG A 444 -0.728 8.066 1.479 1.00 72.30 H new ATOM 0 HB3 ARG A 444 -1.080 6.369 1.738 1.00 72.30 H new ATOM 0 HG2 ARG A 444 1.313 5.820 1.544 1.00 4.30 H new ATOM 0 HG3 ARG A 444 1.688 7.500 1.217 1.00 4.30 H new ATOM 0 HD2 ARG A 444 2.090 6.900 3.593 1.00 30.33 H new ATOM 0 HD3 ARG A 444 0.900 8.176 3.426 1.00 30.33 H new ATOM 0 HE ARG A 444 -0.879 6.462 3.820 1.00 11.43 H new ATOM 0 HH11 ARG A 444 2.441 5.642 4.768 1.00 51.40 H new ATOM 0 HH12 ARG A 444 1.922 4.451 5.965 1.00 51.40 H new ATOM 0 HH21 ARG A 444 -1.516 4.955 5.399 1.00 73.42 H new ATOM 0 HH22 ARG A 444 -0.300 4.065 6.320 1.00 73.42 H new ATOM 116 N ASP A 445 -2.241 6.755 -1.930 1.00 22.15 N ATOM 117 CA ASP A 445 -3.569 6.816 -2.482 1.00 71.11 C ATOM 118 C ASP A 445 -4.069 5.446 -2.834 1.00 50.52 C ATOM 119 O ASP A 445 -5.189 5.296 -3.313 1.00 15.32 O ATOM 120 CB ASP A 445 -3.611 7.717 -3.725 1.00 1.12 C ATOM 121 CG ASP A 445 -2.717 7.226 -4.854 1.00 51.41 C ATOM 122 OD1 ASP A 445 -3.103 6.287 -5.580 1.00 65.40 O ATOM 123 OD2 ASP A 445 -1.623 7.799 -5.052 1.00 10.25 O ATOM 0 H ASP A 445 -1.505 6.637 -2.626 1.00 22.15 H new ATOM 0 HA ASP A 445 -4.219 7.243 -1.718 1.00 71.11 H new ATOM 0 HB2 ASP A 445 -4.638 7.780 -4.085 1.00 1.12 H new ATOM 0 HB3 ASP A 445 -3.309 8.726 -3.444 1.00 1.12 H new ATOM 128 N CYS A 446 -3.289 4.436 -2.556 1.00 34.23 N ATOM 129 CA CYS A 446 -3.677 3.139 -2.969 1.00 13.20 C ATOM 130 C CYS A 446 -4.023 2.328 -1.764 1.00 14.13 C ATOM 131 O CYS A 446 -3.396 2.439 -0.718 1.00 40.11 O ATOM 132 CB CYS A 446 -2.579 2.484 -3.764 1.00 24.33 C ATOM 133 SG CYS A 446 -1.899 3.542 -5.077 1.00 32.02 S ATOM 0 H CYS A 446 -2.402 4.495 -2.056 1.00 34.23 H new ATOM 0 HA CYS A 446 -4.552 3.209 -3.616 1.00 13.20 H new ATOM 0 HB2 CYS A 446 -1.774 2.197 -3.087 1.00 24.33 H new ATOM 0 HB3 CYS A 446 -2.963 1.567 -4.211 1.00 24.33 H new ATOM 0 HG CYS A 446 -2.488 4.700 -5.050 1.00 32.02 H new ATOM 139 N ILE A 447 -5.010 1.556 -1.893 1.00 12.45 N ATOM 140 CA ILE A 447 -5.490 0.758 -0.818 1.00 24.15 C ATOM 141 C ILE A 447 -5.407 -0.686 -1.246 1.00 32.43 C ATOM 142 O ILE A 447 -5.613 -0.983 -2.413 1.00 44.33 O ATOM 143 CB ILE A 447 -6.983 1.052 -0.545 1.00 15.02 C ATOM 144 CG1 ILE A 447 -7.346 2.488 -0.917 1.00 30.23 C ATOM 145 CG2 ILE A 447 -7.254 0.840 0.920 1.00 44.00 C ATOM 146 CD1 ILE A 447 -8.790 2.855 -0.611 1.00 61.20 C ATOM 0 H ILE A 447 -5.532 1.445 -2.762 1.00 12.45 H new ATOM 0 HA ILE A 447 -4.899 0.971 0.073 1.00 24.15 H new ATOM 0 HB ILE A 447 -7.587 0.380 -1.155 1.00 15.02 H new ATOM 0 HG12 ILE A 447 -6.686 3.170 -0.381 1.00 30.23 H new ATOM 0 HG13 ILE A 447 -7.161 2.636 -1.981 1.00 30.23 H new ATOM 0 HG21 ILE A 447 -8.304 1.044 1.129 1.00 44.00 H new ATOM 0 HG22 ILE A 447 -7.024 -0.192 1.187 1.00 44.00 H new ATOM 0 HG23 ILE A 447 -6.630 1.514 1.507 1.00 44.00 H new ATOM 0 HD11 ILE A 447 -8.972 3.889 -0.902 1.00 61.20 H new ATOM 0 HD12 ILE A 447 -9.458 2.198 -1.168 1.00 61.20 H new ATOM 0 HD13 ILE A 447 -8.976 2.741 0.457 1.00 61.20 H new ATOM 158 N ARG A 448 -5.098 -1.565 -0.348 1.00 30.52 N ATOM 159 CA ARG A 448 -5.140 -2.954 -0.659 1.00 5.34 C ATOM 160 C ARG A 448 -6.119 -3.645 0.237 1.00 24.21 C ATOM 161 O ARG A 448 -6.063 -3.523 1.465 1.00 2.53 O ATOM 162 CB ARG A 448 -3.770 -3.647 -0.638 1.00 12.02 C ATOM 163 CG ARG A 448 -3.875 -5.129 -1.012 1.00 50.32 C ATOM 164 CD ARG A 448 -2.544 -5.765 -1.340 1.00 11.24 C ATOM 165 NE ARG A 448 -1.609 -5.797 -0.223 1.00 45.31 N ATOM 166 CZ ARG A 448 -0.628 -6.690 -0.097 1.00 33.10 C ATOM 167 NH1 ARG A 448 -0.563 -7.737 -0.923 1.00 73.01 N ATOM 168 NH2 ARG A 448 0.245 -6.571 0.882 1.00 3.51 N ATOM 0 H ARG A 448 -4.814 -1.344 0.606 1.00 30.52 H new ATOM 0 HA ARG A 448 -5.473 -3.032 -1.694 1.00 5.34 H new ATOM 0 HB2 ARG A 448 -3.098 -3.144 -1.333 1.00 12.02 H new ATOM 0 HB3 ARG A 448 -3.331 -3.553 0.355 1.00 12.02 H new ATOM 0 HG2 ARG A 448 -4.334 -5.672 -0.186 1.00 50.32 H new ATOM 0 HG3 ARG A 448 -4.539 -5.233 -1.870 1.00 50.32 H new ATOM 0 HD2 ARG A 448 -2.716 -6.784 -1.685 1.00 11.24 H new ATOM 0 HD3 ARG A 448 -2.087 -5.221 -2.167 1.00 11.24 H new ATOM 0 HE ARG A 448 -1.712 -5.093 0.507 1.00 45.31 H new ATOM 0 HH11 ARG A 448 -1.265 -7.855 -1.653 1.00 73.01 H new ATOM 0 HH12 ARG A 448 0.189 -8.419 -0.824 1.00 73.01 H new ATOM 0 HH21 ARG A 448 0.169 -5.797 1.542 1.00 3.51 H new ATOM 0 HH22 ARG A 448 0.997 -7.253 0.981 1.00 3.51 H new ATOM 182 N LEU A 449 -7.037 -4.317 -0.373 1.00 44.14 N ATOM 183 CA LEU A 449 -8.031 -5.066 0.330 1.00 31.35 C ATOM 184 C LEU A 449 -7.496 -6.466 0.432 1.00 63.21 C ATOM 185 O LEU A 449 -7.014 -6.997 -0.557 1.00 44.02 O ATOM 186 CB LEU A 449 -9.311 -5.152 -0.476 1.00 75.33 C ATOM 187 CG LEU A 449 -9.754 -3.916 -1.282 1.00 4.34 C ATOM 188 CD1 LEU A 449 -11.015 -4.230 -2.052 1.00 22.30 C ATOM 189 CD2 LEU A 449 -9.977 -2.711 -0.392 1.00 31.41 C ATOM 0 H LEU A 449 -7.121 -4.364 -1.388 1.00 44.14 H new ATOM 0 HA LEU A 449 -8.239 -4.598 1.292 1.00 31.35 H new ATOM 0 HB2 LEU A 449 -9.209 -5.984 -1.173 1.00 75.33 H new ATOM 0 HB3 LEU A 449 -10.119 -5.408 0.210 1.00 75.33 H new ATOM 0 HG LEU A 449 -8.951 -3.668 -1.977 1.00 4.34 H new ATOM 0 HD11 LEU A 449 -11.323 -3.352 -2.620 1.00 22.30 H new ATOM 0 HD12 LEU A 449 -10.827 -5.057 -2.737 1.00 22.30 H new ATOM 0 HD13 LEU A 449 -11.807 -4.508 -1.356 1.00 22.30 H new ATOM 0 HD21 LEU A 449 -10.288 -1.862 -1.000 1.00 31.41 H new ATOM 0 HD22 LEU A 449 -10.753 -2.937 0.339 1.00 31.41 H new ATOM 0 HD23 LEU A 449 -9.050 -2.465 0.127 1.00 31.41 H new ATOM 201 N ARG A 450 -7.565 -7.050 1.565 1.00 54.03 N ATOM 202 CA ARG A 450 -7.092 -8.395 1.740 1.00 24.30 C ATOM 203 C ARG A 450 -8.161 -9.226 2.381 1.00 71.50 C ATOM 204 O ARG A 450 -8.739 -8.847 3.386 1.00 72.14 O ATOM 205 CB ARG A 450 -5.757 -8.434 2.533 1.00 1.00 C ATOM 206 CG ARG A 450 -5.155 -9.836 2.766 1.00 61.31 C ATOM 207 CD ARG A 450 -5.812 -10.568 3.938 1.00 63.41 C ATOM 208 NE ARG A 450 -5.512 -11.996 3.931 1.00 74.01 N ATOM 209 CZ ARG A 450 -6.035 -12.895 4.769 1.00 4.13 C ATOM 210 NH1 ARG A 450 -6.796 -12.510 5.785 1.00 13.33 N ATOM 211 NH2 ARG A 450 -5.795 -14.189 4.588 1.00 21.34 N ATOM 0 H ARG A 450 -7.949 -6.622 2.408 1.00 54.03 H new ATOM 0 HA ARG A 450 -6.872 -8.822 0.762 1.00 24.30 H new ATOM 0 HB2 ARG A 450 -5.023 -7.828 2.002 1.00 1.00 H new ATOM 0 HB3 ARG A 450 -5.918 -7.963 3.503 1.00 1.00 H new ATOM 0 HG2 ARG A 450 -5.268 -10.432 1.860 1.00 61.31 H new ATOM 0 HG3 ARG A 450 -4.085 -9.742 2.954 1.00 61.31 H new ATOM 0 HD2 ARG A 450 -5.469 -10.131 4.876 1.00 63.41 H new ATOM 0 HD3 ARG A 450 -6.892 -10.425 3.895 1.00 63.41 H new ATOM 0 HE ARG A 450 -4.851 -12.334 3.231 1.00 74.01 H new ATOM 0 HH11 ARG A 450 -6.987 -11.519 5.932 1.00 13.33 H new ATOM 0 HH12 ARG A 450 -7.190 -13.205 6.419 1.00 13.33 H new ATOM 0 HH21 ARG A 450 -5.212 -14.495 3.809 1.00 21.34 H new ATOM 0 HH22 ARG A 450 -6.194 -14.876 5.228 1.00 21.34 H new ATOM 225 N GLY A 451 -8.396 -10.346 1.800 1.00 34.24 N ATOM 226 CA GLY A 451 -9.392 -11.246 2.291 1.00 3.15 C ATOM 227 C GLY A 451 -10.676 -11.039 1.566 1.00 5.33 C ATOM 228 O GLY A 451 -11.717 -10.901 2.171 1.00 30.10 O ATOM 0 H GLY A 451 -7.905 -10.672 0.967 1.00 34.24 H new ATOM 0 HA2 GLY A 451 -9.056 -12.275 2.164 1.00 3.15 H new ATOM 0 HA3 GLY A 451 -9.540 -11.088 3.359 1.00 3.15 H new ATOM 232 N LEU A 452 -10.588 -10.982 0.258 1.00 33.14 N ATOM 233 CA LEU A 452 -11.752 -10.763 -0.569 1.00 23.22 C ATOM 234 C LEU A 452 -12.645 -11.987 -0.618 1.00 73.42 C ATOM 235 O LEU A 452 -12.158 -13.117 -0.505 1.00 44.30 O ATOM 236 CB LEU A 452 -11.347 -10.394 -1.995 1.00 55.03 C ATOM 237 CG LEU A 452 -10.639 -9.066 -2.184 1.00 25.43 C ATOM 238 CD1 LEU A 452 -10.305 -8.876 -3.646 1.00 14.20 C ATOM 239 CD2 LEU A 452 -11.507 -7.920 -1.684 1.00 42.55 C ATOM 0 H LEU A 452 -9.715 -11.085 -0.260 1.00 33.14 H new ATOM 0 HA LEU A 452 -12.305 -9.939 -0.118 1.00 23.22 H new ATOM 0 HB2 LEU A 452 -10.699 -11.182 -2.378 1.00 55.03 H new ATOM 0 HB3 LEU A 452 -12.245 -10.391 -2.613 1.00 55.03 H new ATOM 0 HG LEU A 452 -9.717 -9.069 -1.603 1.00 25.43 H new ATOM 0 HD11 LEU A 452 -9.796 -7.922 -3.782 1.00 14.20 H new ATOM 0 HD12 LEU A 452 -9.654 -9.685 -3.979 1.00 14.20 H new ATOM 0 HD13 LEU A 452 -11.223 -8.884 -4.233 1.00 14.20 H new ATOM 0 HD21 LEU A 452 -10.982 -6.976 -1.828 1.00 42.55 H new ATOM 0 HD22 LEU A 452 -12.444 -7.903 -2.241 1.00 42.55 H new ATOM 0 HD23 LEU A 452 -11.718 -8.059 -0.624 1.00 42.55 H new ATOM 251 N PRO A 453 -13.972 -11.780 -0.760 1.00 64.40 N ATOM 252 CA PRO A 453 -14.913 -12.858 -0.966 1.00 64.14 C ATOM 253 C PRO A 453 -14.638 -13.584 -2.272 1.00 44.01 C ATOM 254 O PRO A 453 -13.754 -13.194 -3.068 1.00 54.23 O ATOM 255 CB PRO A 453 -16.261 -12.152 -1.083 1.00 20.21 C ATOM 256 CG PRO A 453 -16.078 -10.836 -0.455 1.00 22.10 C ATOM 257 CD PRO A 453 -14.647 -10.480 -0.662 1.00 65.23 C ATOM 0 HA PRO A 453 -14.861 -13.595 -0.165 1.00 64.14 H new ATOM 0 HB2 PRO A 453 -16.560 -12.050 -2.126 1.00 20.21 H new ATOM 0 HB3 PRO A 453 -17.045 -12.719 -0.581 1.00 20.21 H new ATOM 0 HG2 PRO A 453 -16.735 -10.093 -0.907 1.00 22.10 H new ATOM 0 HG3 PRO A 453 -16.322 -10.873 0.607 1.00 22.10 H new ATOM 0 HD2 PRO A 453 -14.509 -9.889 -1.567 1.00 65.23 H new ATOM 0 HD3 PRO A 453 -14.258 -9.889 0.167 1.00 65.23 H new ATOM 265 N TYR A 454 -15.423 -14.573 -2.534 1.00 0.13 N ATOM 266 CA TYR A 454 -15.253 -15.356 -3.705 1.00 24.44 C ATOM 267 C TYR A 454 -15.780 -14.661 -4.911 1.00 42.12 C ATOM 268 O TYR A 454 -16.974 -14.729 -5.231 1.00 63.33 O ATOM 269 CB TYR A 454 -15.803 -16.774 -3.614 1.00 22.14 C ATOM 270 CG TYR A 454 -15.478 -17.578 -4.878 1.00 3.43 C ATOM 271 CD1 TYR A 454 -14.187 -18.038 -5.118 1.00 15.41 C ATOM 272 CD2 TYR A 454 -16.448 -17.826 -5.846 1.00 72.25 C ATOM 273 CE1 TYR A 454 -13.873 -18.713 -6.284 1.00 21.24 C ATOM 274 CE2 TYR A 454 -16.141 -18.508 -7.006 1.00 3.14 C ATOM 275 CZ TYR A 454 -14.853 -18.945 -7.221 1.00 41.32 C ATOM 276 OH TYR A 454 -14.541 -19.605 -8.398 1.00 64.12 O ATOM 0 H TYR A 454 -16.201 -14.860 -1.940 1.00 0.13 H new ATOM 0 HA TYR A 454 -14.173 -15.470 -3.802 1.00 24.44 H new ATOM 0 HB2 TYR A 454 -15.381 -17.275 -2.743 1.00 22.14 H new ATOM 0 HB3 TYR A 454 -16.883 -16.739 -3.470 1.00 22.14 H new ATOM 0 HD1 TYR A 454 -13.417 -17.865 -4.381 1.00 15.41 H new ATOM 0 HD2 TYR A 454 -17.458 -17.479 -5.686 1.00 72.25 H new ATOM 0 HE1 TYR A 454 -12.864 -19.056 -6.458 1.00 21.24 H new ATOM 0 HE2 TYR A 454 -16.908 -18.698 -7.742 1.00 3.14 H new ATOM 0 HH TYR A 454 -15.347 -19.688 -8.950 1.00 64.12 H new ATOM 286 N ALA A 455 -14.910 -13.890 -5.470 1.00 73.24 N ATOM 287 CA ALA A 455 -15.088 -13.271 -6.769 1.00 54.42 C ATOM 288 C ALA A 455 -16.247 -12.300 -6.764 1.00 1.10 C ATOM 289 O ALA A 455 -17.082 -12.299 -7.689 1.00 62.24 O ATOM 290 CB ALA A 455 -15.245 -14.338 -7.858 1.00 32.14 C ATOM 0 H ALA A 455 -14.019 -13.656 -5.032 1.00 73.24 H new ATOM 0 HA ALA A 455 -14.192 -12.693 -6.996 1.00 54.42 H new ATOM 0 HB1 ALA A 455 -15.377 -13.854 -8.825 1.00 32.14 H new ATOM 0 HB2 ALA A 455 -14.353 -14.964 -7.885 1.00 32.14 H new ATOM 0 HB3 ALA A 455 -16.116 -14.956 -7.639 1.00 32.14 H new ATOM 296 N ALA A 456 -16.332 -11.527 -5.676 1.00 52.31 N ATOM 297 CA ALA A 456 -17.283 -10.416 -5.581 1.00 71.23 C ATOM 298 C ALA A 456 -17.147 -9.558 -6.832 1.00 12.21 C ATOM 299 O ALA A 456 -16.039 -9.111 -7.172 1.00 40.33 O ATOM 300 CB ALA A 456 -17.007 -9.587 -4.335 1.00 52.12 C ATOM 0 H ALA A 456 -15.751 -11.652 -4.847 1.00 52.31 H new ATOM 0 HA ALA A 456 -18.299 -10.803 -5.506 1.00 71.23 H new ATOM 0 HB1 ALA A 456 -17.722 -8.766 -4.279 1.00 52.12 H new ATOM 0 HB2 ALA A 456 -17.106 -10.216 -3.450 1.00 52.12 H new ATOM 0 HB3 ALA A 456 -15.995 -9.185 -4.382 1.00 52.12 H new ATOM 306 N THR A 457 -18.243 -9.349 -7.514 1.00 73.12 N ATOM 307 CA THR A 457 -18.227 -8.730 -8.791 1.00 42.01 C ATOM 308 C THR A 457 -17.925 -7.227 -8.736 1.00 42.34 C ATOM 309 O THR A 457 -18.040 -6.585 -7.679 1.00 0.44 O ATOM 310 CB THR A 457 -19.515 -9.073 -9.545 1.00 32.32 C ATOM 311 OG1 THR A 457 -20.609 -9.108 -8.612 1.00 13.44 O ATOM 312 CG2 THR A 457 -19.391 -10.429 -10.226 1.00 2.20 C ATOM 0 H THR A 457 -19.173 -9.610 -7.186 1.00 73.12 H new ATOM 0 HA THR A 457 -17.390 -9.138 -9.357 1.00 42.01 H new ATOM 0 HB THR A 457 -19.693 -8.314 -10.307 1.00 32.32 H new ATOM 0 HG1 THR A 457 -21.105 -8.264 -8.658 1.00 13.44 H new ATOM 0 HG21 THR A 457 -20.316 -10.656 -10.757 1.00 2.20 H new ATOM 0 HG22 THR A 457 -18.563 -10.406 -10.934 1.00 2.20 H new ATOM 0 HG23 THR A 457 -19.206 -11.197 -9.476 1.00 2.20 H new ATOM 320 N ILE A 458 -17.542 -6.673 -9.881 1.00 64.35 N ATOM 321 CA ILE A 458 -17.067 -5.291 -9.976 1.00 14.54 C ATOM 322 C ILE A 458 -18.091 -4.256 -9.533 1.00 45.40 C ATOM 323 O ILE A 458 -17.725 -3.189 -9.073 1.00 62.13 O ATOM 324 CB ILE A 458 -16.526 -4.936 -11.389 1.00 63.35 C ATOM 325 CG1 ILE A 458 -17.606 -5.162 -12.469 1.00 73.25 C ATOM 326 CG2 ILE A 458 -15.269 -5.751 -11.693 1.00 4.23 C ATOM 327 CD1 ILE A 458 -17.185 -4.759 -13.872 1.00 64.45 C ATOM 0 H ILE A 458 -17.551 -7.168 -10.773 1.00 64.35 H new ATOM 0 HA ILE A 458 -16.238 -5.246 -9.270 1.00 14.54 H new ATOM 0 HB ILE A 458 -16.264 -3.878 -11.402 1.00 63.35 H new ATOM 0 HG12 ILE A 458 -17.882 -6.217 -12.474 1.00 73.25 H new ATOM 0 HG13 ILE A 458 -18.499 -4.600 -12.195 1.00 73.25 H new ATOM 0 HG21 ILE A 458 -14.900 -5.493 -12.686 1.00 4.23 H new ATOM 0 HG22 ILE A 458 -14.502 -5.528 -10.951 1.00 4.23 H new ATOM 0 HG23 ILE A 458 -15.508 -6.814 -11.659 1.00 4.23 H new ATOM 0 HD11 ILE A 458 -18.003 -4.951 -14.567 1.00 64.45 H new ATOM 0 HD12 ILE A 458 -16.938 -3.697 -13.887 1.00 64.45 H new ATOM 0 HD13 ILE A 458 -16.312 -5.339 -14.170 1.00 64.45 H new ATOM 339 N GLU A 459 -19.350 -4.559 -9.650 1.00 5.14 N ATOM 340 CA GLU A 459 -20.338 -3.610 -9.229 1.00 33.53 C ATOM 341 C GLU A 459 -20.543 -3.690 -7.709 1.00 53.14 C ATOM 342 O GLU A 459 -20.871 -2.701 -7.059 1.00 43.05 O ATOM 343 CB GLU A 459 -21.657 -3.712 -10.044 1.00 20.35 C ATOM 344 CG GLU A 459 -22.565 -4.911 -9.759 1.00 54.01 C ATOM 345 CD GLU A 459 -21.871 -6.234 -9.843 1.00 23.04 C ATOM 346 OE1 GLU A 459 -21.498 -6.750 -8.795 1.00 40.43 O ATOM 347 OE2 GLU A 459 -21.682 -6.772 -10.939 1.00 65.51 O ATOM 0 H GLU A 459 -19.712 -5.436 -10.025 1.00 5.14 H new ATOM 0 HA GLU A 459 -19.963 -2.611 -9.449 1.00 33.53 H new ATOM 0 HB2 GLU A 459 -22.233 -2.803 -9.869 1.00 20.35 H new ATOM 0 HB3 GLU A 459 -21.399 -3.728 -11.103 1.00 20.35 H new ATOM 0 HG2 GLU A 459 -22.994 -4.800 -8.763 1.00 54.01 H new ATOM 0 HG3 GLU A 459 -23.394 -4.902 -10.466 1.00 54.01 H new ATOM 354 N ASP A 460 -20.273 -4.861 -7.146 1.00 4.42 N ATOM 355 CA ASP A 460 -20.449 -5.092 -5.727 1.00 64.34 C ATOM 356 C ASP A 460 -19.299 -4.496 -4.948 1.00 75.10 C ATOM 357 O ASP A 460 -19.451 -4.106 -3.790 1.00 12.42 O ATOM 358 CB ASP A 460 -20.568 -6.572 -5.386 1.00 35.43 C ATOM 359 CG ASP A 460 -21.283 -6.753 -4.066 1.00 30.15 C ATOM 360 OD1 ASP A 460 -20.646 -7.071 -3.039 1.00 75.14 O ATOM 361 OD2 ASP A 460 -22.532 -6.564 -4.031 1.00 32.24 O ATOM 0 H ASP A 460 -19.928 -5.671 -7.661 1.00 4.42 H new ATOM 0 HA ASP A 460 -21.384 -4.606 -5.447 1.00 64.34 H new ATOM 0 HB2 ASP A 460 -21.112 -7.091 -6.175 1.00 35.43 H new ATOM 0 HB3 ASP A 460 -19.576 -7.021 -5.334 1.00 35.43 H new ATOM 366 N ILE A 461 -18.138 -4.419 -5.573 1.00 42.42 N ATOM 367 CA ILE A 461 -17.022 -3.776 -4.926 1.00 73.10 C ATOM 368 C ILE A 461 -17.294 -2.259 -4.855 1.00 70.33 C ATOM 369 O ILE A 461 -16.940 -1.599 -3.892 1.00 24.31 O ATOM 370 CB ILE A 461 -15.639 -4.103 -5.598 1.00 20.55 C ATOM 371 CG1 ILE A 461 -14.477 -3.644 -4.701 1.00 60.33 C ATOM 372 CG2 ILE A 461 -15.515 -3.470 -6.980 1.00 72.11 C ATOM 373 CD1 ILE A 461 -13.105 -4.017 -5.231 1.00 72.42 C ATOM 0 H ILE A 461 -17.950 -4.786 -6.506 1.00 42.42 H new ATOM 0 HA ILE A 461 -16.936 -4.176 -3.916 1.00 73.10 H new ATOM 0 HB ILE A 461 -15.589 -5.185 -5.721 1.00 20.55 H new ATOM 0 HG12 ILE A 461 -14.528 -2.562 -4.583 1.00 60.33 H new ATOM 0 HG13 ILE A 461 -14.603 -4.079 -3.709 1.00 60.33 H new ATOM 0 HG21 ILE A 461 -14.545 -3.720 -7.409 1.00 72.11 H new ATOM 0 HG22 ILE A 461 -16.307 -3.849 -7.626 1.00 72.11 H new ATOM 0 HG23 ILE A 461 -15.605 -2.387 -6.894 1.00 72.11 H new ATOM 0 HD11 ILE A 461 -12.339 -3.659 -4.543 1.00 72.42 H new ATOM 0 HD12 ILE A 461 -13.032 -5.101 -5.322 1.00 72.42 H new ATOM 0 HD13 ILE A 461 -12.956 -3.560 -6.209 1.00 72.42 H new ATOM 385 N LEU A 462 -18.010 -1.743 -5.863 1.00 3.00 N ATOM 386 CA LEU A 462 -18.414 -0.338 -5.889 1.00 55.20 C ATOM 387 C LEU A 462 -19.485 -0.096 -4.829 1.00 72.32 C ATOM 388 O LEU A 462 -19.538 0.963 -4.203 1.00 35.34 O ATOM 389 CB LEU A 462 -18.929 0.068 -7.277 1.00 61.13 C ATOM 390 CG LEU A 462 -17.956 -0.109 -8.454 1.00 24.14 C ATOM 391 CD1 LEU A 462 -18.628 0.281 -9.761 1.00 14.14 C ATOM 392 CD2 LEU A 462 -16.683 0.706 -8.250 1.00 2.42 C ATOM 0 H LEU A 462 -18.320 -2.282 -6.671 1.00 3.00 H new ATOM 0 HA LEU A 462 -17.542 0.278 -5.669 1.00 55.20 H new ATOM 0 HB2 LEU A 462 -19.828 -0.511 -7.489 1.00 61.13 H new ATOM 0 HB3 LEU A 462 -19.227 1.116 -7.236 1.00 61.13 H new ATOM 0 HG LEU A 462 -17.677 -1.162 -8.500 1.00 24.14 H new ATOM 0 HD11 LEU A 462 -17.926 0.150 -10.584 1.00 14.14 H new ATOM 0 HD12 LEU A 462 -19.501 -0.351 -9.924 1.00 14.14 H new ATOM 0 HD13 LEU A 462 -18.940 1.324 -9.713 1.00 14.14 H new ATOM 0 HD21 LEU A 462 -16.017 0.559 -9.100 1.00 2.42 H new ATOM 0 HD22 LEU A 462 -16.937 1.763 -8.167 1.00 2.42 H new ATOM 0 HD23 LEU A 462 -16.185 0.380 -7.337 1.00 2.42 H new ATOM 404 N ASP A 463 -20.330 -1.093 -4.661 1.00 3.01 N ATOM 405 CA ASP A 463 -21.364 -1.141 -3.610 1.00 54.12 C ATOM 406 C ASP A 463 -20.699 -0.956 -2.261 1.00 64.21 C ATOM 407 O ASP A 463 -20.981 -0.004 -1.517 1.00 41.14 O ATOM 408 CB ASP A 463 -22.027 -2.527 -3.678 1.00 72.23 C ATOM 409 CG ASP A 463 -23.011 -2.859 -2.574 1.00 23.42 C ATOM 410 OD1 ASP A 463 -22.580 -3.310 -1.492 1.00 41.15 O ATOM 411 OD2 ASP A 463 -24.221 -2.810 -2.796 1.00 34.23 O ATOM 0 H ASP A 463 -20.329 -1.920 -5.259 1.00 3.01 H new ATOM 0 HA ASP A 463 -22.108 -0.357 -3.750 1.00 54.12 H new ATOM 0 HB2 ASP A 463 -22.545 -2.611 -4.634 1.00 72.23 H new ATOM 0 HB3 ASP A 463 -21.241 -3.282 -3.673 1.00 72.23 H new ATOM 416 N PHE A 464 -19.748 -1.824 -2.018 1.00 2.53 N ATOM 417 CA PHE A 464 -18.974 -1.863 -0.780 1.00 50.44 C ATOM 418 C PHE A 464 -18.239 -0.545 -0.534 1.00 64.20 C ATOM 419 O PHE A 464 -18.163 -0.063 0.600 1.00 42.20 O ATOM 420 CB PHE A 464 -17.985 -3.039 -0.837 1.00 32.33 C ATOM 421 CG PHE A 464 -17.030 -3.129 0.323 1.00 10.13 C ATOM 422 CD1 PHE A 464 -17.452 -3.612 1.554 1.00 65.11 C ATOM 423 CD2 PHE A 464 -15.702 -2.747 0.174 1.00 34.32 C ATOM 424 CE1 PHE A 464 -16.571 -3.709 2.615 1.00 45.32 C ATOM 425 CE2 PHE A 464 -14.819 -2.840 1.233 1.00 41.12 C ATOM 426 CZ PHE A 464 -15.254 -3.325 2.455 1.00 75.15 C ATOM 0 H PHE A 464 -19.476 -2.545 -2.686 1.00 2.53 H new ATOM 0 HA PHE A 464 -19.659 -2.006 0.055 1.00 50.44 H new ATOM 0 HB2 PHE A 464 -18.552 -3.968 -0.893 1.00 32.33 H new ATOM 0 HB3 PHE A 464 -17.407 -2.963 -1.758 1.00 32.33 H new ATOM 0 HD1 PHE A 464 -18.480 -3.915 1.684 1.00 65.11 H new ATOM 0 HD2 PHE A 464 -15.357 -2.374 -0.779 1.00 34.32 H new ATOM 0 HE1 PHE A 464 -16.912 -4.085 3.568 1.00 45.32 H new ATOM 0 HE2 PHE A 464 -13.791 -2.535 1.108 1.00 41.12 H new ATOM 0 HZ PHE A 464 -14.564 -3.403 3.282 1.00 75.15 H new ATOM 436 N LEU A 465 -17.733 0.036 -1.597 1.00 10.31 N ATOM 437 CA LEU A 465 -16.989 1.276 -1.525 1.00 53.53 C ATOM 438 C LEU A 465 -17.842 2.455 -1.123 1.00 53.21 C ATOM 439 O LEU A 465 -17.348 3.398 -0.483 1.00 55.44 O ATOM 440 CB LEU A 465 -16.287 1.563 -2.832 1.00 1.41 C ATOM 441 CG LEU A 465 -15.042 0.732 -3.125 1.00 64.24 C ATOM 442 CD1 LEU A 465 -14.545 1.015 -4.534 1.00 42.05 C ATOM 443 CD2 LEU A 465 -13.948 1.047 -2.110 1.00 31.32 C ATOM 0 H LEU A 465 -17.825 -0.338 -2.541 1.00 10.31 H new ATOM 0 HA LEU A 465 -16.245 1.137 -0.740 1.00 53.53 H new ATOM 0 HB2 LEU A 465 -16.999 1.411 -3.644 1.00 1.41 H new ATOM 0 HB3 LEU A 465 -16.007 2.616 -2.846 1.00 1.41 H new ATOM 0 HG LEU A 465 -15.299 -0.324 -3.047 1.00 64.24 H new ATOM 0 HD11 LEU A 465 -13.656 0.417 -4.733 1.00 42.05 H new ATOM 0 HD12 LEU A 465 -15.323 0.759 -5.253 1.00 42.05 H new ATOM 0 HD13 LEU A 465 -14.299 2.073 -4.627 1.00 42.05 H new ATOM 0 HD21 LEU A 465 -13.064 0.448 -2.330 1.00 31.32 H new ATOM 0 HD22 LEU A 465 -13.692 2.105 -2.167 1.00 31.32 H new ATOM 0 HD23 LEU A 465 -14.304 0.814 -1.107 1.00 31.32 H new ATOM 455 N GLY A 466 -19.102 2.418 -1.465 1.00 13.02 N ATOM 456 CA GLY A 466 -19.946 3.515 -1.126 1.00 14.44 C ATOM 457 C GLY A 466 -19.648 4.713 -1.951 1.00 5.21 C ATOM 458 O GLY A 466 -19.417 4.617 -3.162 1.00 1.40 O ATOM 0 H GLY A 466 -19.553 1.654 -1.968 1.00 13.02 H new ATOM 0 HA2 GLY A 466 -20.988 3.228 -1.264 1.00 14.44 H new ATOM 0 HA3 GLY A 466 -19.820 3.759 -0.071 1.00 14.44 H new ATOM 462 N GLU A 467 -19.640 5.828 -1.300 1.00 62.30 N ATOM 463 CA GLU A 467 -19.327 7.121 -1.915 1.00 14.14 C ATOM 464 C GLU A 467 -17.943 7.138 -2.560 1.00 63.22 C ATOM 465 O GLU A 467 -17.723 7.847 -3.544 1.00 5.11 O ATOM 466 CB GLU A 467 -19.425 8.267 -0.911 1.00 32.42 C ATOM 467 CG GLU A 467 -20.795 8.450 -0.315 1.00 22.43 C ATOM 468 CD GLU A 467 -20.901 9.709 0.495 1.00 51.00 C ATOM 469 OE1 GLU A 467 -21.345 10.740 -0.048 1.00 41.21 O ATOM 470 OE2 GLU A 467 -20.543 9.705 1.683 1.00 22.24 O ATOM 0 H GLU A 467 -19.852 5.891 -0.304 1.00 62.30 H new ATOM 0 HA GLU A 467 -20.075 7.264 -2.695 1.00 14.14 H new ATOM 0 HB2 GLU A 467 -18.711 8.092 -0.106 1.00 32.42 H new ATOM 0 HB3 GLU A 467 -19.129 9.193 -1.404 1.00 32.42 H new ATOM 0 HG2 GLU A 467 -21.536 8.471 -1.114 1.00 22.43 H new ATOM 0 HG3 GLU A 467 -21.031 7.594 0.316 1.00 22.43 H new ATOM 477 N PHE A 468 -17.034 6.325 -2.034 1.00 1.20 N ATOM 478 CA PHE A 468 -15.657 6.276 -2.509 1.00 22.03 C ATOM 479 C PHE A 468 -15.545 5.639 -3.898 1.00 51.31 C ATOM 480 O PHE A 468 -14.510 5.747 -4.548 1.00 55.12 O ATOM 481 CB PHE A 468 -14.758 5.522 -1.517 1.00 41.53 C ATOM 482 CG PHE A 468 -14.654 6.162 -0.156 1.00 52.20 C ATOM 483 CD1 PHE A 468 -13.866 7.285 0.036 1.00 71.21 C ATOM 484 CD2 PHE A 468 -15.338 5.636 0.931 1.00 54.32 C ATOM 485 CE1 PHE A 468 -13.764 7.874 1.282 1.00 45.43 C ATOM 486 CE2 PHE A 468 -15.240 6.220 2.179 1.00 23.03 C ATOM 487 CZ PHE A 468 -14.453 7.340 2.353 1.00 72.25 C ATOM 0 H PHE A 468 -17.231 5.682 -1.267 1.00 1.20 H new ATOM 0 HA PHE A 468 -15.318 7.309 -2.586 1.00 22.03 H new ATOM 0 HB2 PHE A 468 -15.139 4.508 -1.399 1.00 41.53 H new ATOM 0 HB3 PHE A 468 -13.758 5.439 -1.943 1.00 41.53 H new ATOM 0 HD1 PHE A 468 -13.325 7.706 -0.799 1.00 71.21 H new ATOM 0 HD2 PHE A 468 -15.955 4.759 0.800 1.00 54.32 H new ATOM 0 HE1 PHE A 468 -13.147 8.750 1.418 1.00 45.43 H new ATOM 0 HE2 PHE A 468 -15.778 5.801 3.016 1.00 23.03 H new ATOM 0 HZ PHE A 468 -14.376 7.799 3.327 1.00 72.25 H new ATOM 497 N ALA A 469 -16.625 5.027 -4.368 1.00 14.21 N ATOM 498 CA ALA A 469 -16.635 4.319 -5.651 1.00 30.21 C ATOM 499 C ALA A 469 -16.406 5.242 -6.850 1.00 34.44 C ATOM 500 O ALA A 469 -16.007 4.791 -7.914 1.00 31.44 O ATOM 501 CB ALA A 469 -17.922 3.537 -5.822 1.00 13.23 C ATOM 0 H ALA A 469 -17.518 5.005 -3.876 1.00 14.21 H new ATOM 0 HA ALA A 469 -15.794 3.626 -5.626 1.00 30.21 H new ATOM 0 HB1 ALA A 469 -17.908 3.019 -6.781 1.00 13.23 H new ATOM 0 HB2 ALA A 469 -18.014 2.808 -5.017 1.00 13.23 H new ATOM 0 HB3 ALA A 469 -18.770 4.221 -5.791 1.00 13.23 H new ATOM 507 N THR A 470 -16.673 6.512 -6.688 1.00 71.03 N ATOM 508 CA THR A 470 -16.465 7.444 -7.754 1.00 15.23 C ATOM 509 C THR A 470 -15.150 8.239 -7.532 1.00 5.21 C ATOM 510 O THR A 470 -14.715 9.025 -8.384 1.00 10.43 O ATOM 511 CB THR A 470 -17.704 8.382 -7.936 1.00 23.23 C ATOM 512 OG1 THR A 470 -17.546 9.241 -9.081 1.00 63.22 O ATOM 513 CG2 THR A 470 -17.940 9.225 -6.696 1.00 52.31 C ATOM 0 H THR A 470 -17.035 6.920 -5.826 1.00 71.03 H new ATOM 0 HA THR A 470 -16.356 6.888 -8.685 1.00 15.23 H new ATOM 0 HB THR A 470 -18.571 7.740 -8.096 1.00 23.23 H new ATOM 0 HG1 THR A 470 -16.592 9.388 -9.251 1.00 63.22 H new ATOM 0 HG21 THR A 470 -18.807 9.867 -6.852 1.00 52.31 H new ATOM 0 HG22 THR A 470 -18.120 8.573 -5.841 1.00 52.31 H new ATOM 0 HG23 THR A 470 -17.062 9.842 -6.503 1.00 52.31 H new ATOM 521 N ASP A 471 -14.502 7.985 -6.413 1.00 51.25 N ATOM 522 CA ASP A 471 -13.281 8.686 -6.060 1.00 72.50 C ATOM 523 C ASP A 471 -12.059 7.842 -6.349 1.00 62.22 C ATOM 524 O ASP A 471 -10.919 8.225 -6.027 1.00 14.20 O ATOM 525 CB ASP A 471 -13.304 9.180 -4.603 1.00 43.43 C ATOM 526 CG ASP A 471 -14.202 10.388 -4.400 1.00 40.23 C ATOM 527 OD1 ASP A 471 -13.684 11.495 -4.117 1.00 1.22 O ATOM 528 OD2 ASP A 471 -15.426 10.276 -4.545 1.00 11.42 O ATOM 0 H ASP A 471 -14.803 7.293 -5.727 1.00 51.25 H new ATOM 0 HA ASP A 471 -13.221 9.572 -6.691 1.00 72.50 H new ATOM 0 HB2 ASP A 471 -13.642 8.370 -3.956 1.00 43.43 H new ATOM 0 HB3 ASP A 471 -12.289 9.432 -4.295 1.00 43.43 H new ATOM 533 N ILE A 472 -12.303 6.680 -6.918 1.00 5.15 N ATOM 534 CA ILE A 472 -11.270 5.809 -7.396 1.00 15.24 C ATOM 535 C ILE A 472 -10.733 6.401 -8.713 1.00 62.35 C ATOM 536 O ILE A 472 -11.479 7.069 -9.443 1.00 31.11 O ATOM 537 CB ILE A 472 -11.845 4.365 -7.650 1.00 42.05 C ATOM 538 CG1 ILE A 472 -10.738 3.394 -8.091 1.00 12.45 C ATOM 539 CG2 ILE A 472 -12.980 4.388 -8.677 1.00 64.32 C ATOM 540 CD1 ILE A 472 -11.213 1.978 -8.372 1.00 75.23 C ATOM 0 H ILE A 472 -13.245 6.315 -7.060 1.00 5.15 H new ATOM 0 HA ILE A 472 -10.472 5.728 -6.658 1.00 15.24 H new ATOM 0 HB ILE A 472 -12.253 4.009 -6.704 1.00 42.05 H new ATOM 0 HG12 ILE A 472 -10.263 3.789 -8.989 1.00 12.45 H new ATOM 0 HG13 ILE A 472 -9.973 3.359 -7.315 1.00 12.45 H new ATOM 0 HG21 ILE A 472 -13.354 3.375 -8.829 1.00 64.32 H new ATOM 0 HG22 ILE A 472 -13.788 5.022 -8.312 1.00 64.32 H new ATOM 0 HG23 ILE A 472 -12.607 4.783 -9.622 1.00 64.32 H new ATOM 0 HD11 ILE A 472 -10.366 1.364 -8.677 1.00 75.23 H new ATOM 0 HD12 ILE A 472 -11.660 1.559 -7.471 1.00 75.23 H new ATOM 0 HD13 ILE A 472 -11.955 1.995 -9.171 1.00 75.23 H new ATOM 552 N ARG A 473 -9.472 6.206 -9.007 1.00 23.41 N ATOM 553 CA ARG A 473 -8.942 6.674 -10.261 1.00 21.14 C ATOM 554 C ARG A 473 -9.304 5.726 -11.392 1.00 51.21 C ATOM 555 O ARG A 473 -9.748 4.590 -11.144 1.00 2.33 O ATOM 556 CB ARG A 473 -7.441 6.990 -10.198 1.00 50.32 C ATOM 557 CG ARG A 473 -7.153 8.311 -9.496 1.00 75.41 C ATOM 558 CD ARG A 473 -5.685 8.717 -9.570 1.00 22.22 C ATOM 559 NE ARG A 473 -4.802 7.913 -8.708 1.00 15.02 N ATOM 560 CZ ARG A 473 -3.506 7.666 -8.966 1.00 60.20 C ATOM 561 NH1 ARG A 473 -2.987 7.958 -10.161 1.00 12.41 N ATOM 562 NH2 ARG A 473 -2.737 7.090 -8.052 1.00 34.32 N ATOM 0 H ARG A 473 -8.801 5.732 -8.403 1.00 23.41 H new ATOM 0 HA ARG A 473 -9.420 7.630 -10.477 1.00 21.14 H new ATOM 0 HB2 ARG A 473 -6.925 6.184 -9.676 1.00 50.32 H new ATOM 0 HB3 ARG A 473 -7.037 7.024 -11.210 1.00 50.32 H new ATOM 0 HG2 ARG A 473 -7.764 9.095 -9.944 1.00 75.41 H new ATOM 0 HG3 ARG A 473 -7.450 8.233 -8.450 1.00 75.41 H new ATOM 0 HD2 ARG A 473 -5.346 8.632 -10.602 1.00 22.22 H new ATOM 0 HD3 ARG A 473 -5.593 9.766 -9.290 1.00 22.22 H new ATOM 0 HE ARG A 473 -5.201 7.517 -7.857 1.00 15.02 H new ATOM 0 HH11 ARG A 473 -3.575 8.371 -10.885 1.00 12.41 H new ATOM 0 HH12 ARG A 473 -2.003 7.768 -10.350 1.00 12.41 H new ATOM 0 HH21 ARG A 473 -3.128 6.831 -7.146 1.00 34.32 H new ATOM 0 HH22 ARG A 473 -1.755 6.906 -8.255 1.00 34.32 H new ATOM 576 N THR A 474 -9.144 6.204 -12.610 1.00 70.10 N ATOM 577 CA THR A 474 -9.536 5.497 -13.818 1.00 40.12 C ATOM 578 C THR A 474 -8.946 4.078 -13.876 1.00 71.23 C ATOM 579 O THR A 474 -7.732 3.906 -14.025 1.00 45.44 O ATOM 580 CB THR A 474 -9.080 6.304 -15.047 1.00 32.40 C ATOM 581 OG1 THR A 474 -9.437 7.692 -14.847 1.00 33.13 O ATOM 582 CG2 THR A 474 -9.758 5.798 -16.314 1.00 44.50 C ATOM 0 H THR A 474 -8.728 7.117 -12.794 1.00 70.10 H new ATOM 0 HA THR A 474 -10.621 5.396 -13.812 1.00 40.12 H new ATOM 0 HB THR A 474 -8.002 6.192 -15.162 1.00 32.40 H new ATOM 0 HG1 THR A 474 -9.151 8.218 -15.622 1.00 33.13 H new ATOM 0 HG21 THR A 474 -9.419 6.385 -17.167 1.00 44.50 H new ATOM 0 HG22 THR A 474 -9.502 4.750 -16.470 1.00 44.50 H new ATOM 0 HG23 THR A 474 -10.839 5.897 -16.213 1.00 44.50 H new ATOM 590 N HIS A 475 -9.825 3.082 -13.667 1.00 64.14 N ATOM 591 CA HIS A 475 -9.480 1.648 -13.723 1.00 32.43 C ATOM 592 C HIS A 475 -8.426 1.282 -12.682 1.00 23.43 C ATOM 593 O HIS A 475 -7.706 0.282 -12.823 1.00 42.41 O ATOM 594 CB HIS A 475 -9.029 1.222 -15.141 1.00 11.53 C ATOM 595 CG HIS A 475 -10.084 1.401 -16.194 1.00 2.34 C ATOM 596 ND1 HIS A 475 -11.310 0.762 -16.180 1.00 23.44 N ATOM 597 CD2 HIS A 475 -10.090 2.188 -17.294 1.00 42.14 C ATOM 598 CE1 HIS A 475 -12.005 1.169 -17.239 1.00 24.00 C ATOM 599 NE2 HIS A 475 -11.309 2.040 -17.956 1.00 2.43 N ATOM 0 H HIS A 475 -10.808 3.251 -13.452 1.00 64.14 H new ATOM 0 HA HIS A 475 -10.388 1.094 -13.485 1.00 32.43 H new ATOM 0 HB2 HIS A 475 -8.149 1.800 -15.421 1.00 11.53 H new ATOM 0 HB3 HIS A 475 -8.728 0.175 -15.117 1.00 11.53 H new ATOM 0 HD2 HIS A 475 -9.280 2.829 -17.610 1.00 42.14 H new ATOM 0 HE1 HIS A 475 -13.003 0.834 -17.482 1.00 24.00 H new ATOM 0 HE2 HIS A 475 -11.604 2.506 -18.814 1.00 2.43 H new ATOM 607 N GLY A 476 -8.417 2.049 -11.593 1.00 41.43 N ATOM 608 CA GLY A 476 -7.447 1.894 -10.535 1.00 24.21 C ATOM 609 C GLY A 476 -7.650 0.664 -9.667 1.00 12.13 C ATOM 610 O GLY A 476 -6.888 0.434 -8.735 1.00 43.01 O ATOM 0 H GLY A 476 -9.091 2.797 -11.429 1.00 41.43 H new ATOM 0 HA2 GLY A 476 -6.451 1.851 -10.976 1.00 24.21 H new ATOM 0 HA3 GLY A 476 -7.476 2.780 -9.900 1.00 24.21 H new ATOM 614 N VAL A 477 -8.675 -0.103 -9.934 1.00 64.41 N ATOM 615 CA VAL A 477 -8.884 -1.315 -9.197 1.00 13.33 C ATOM 616 C VAL A 477 -8.094 -2.455 -9.847 1.00 34.20 C ATOM 617 O VAL A 477 -8.310 -2.819 -11.005 1.00 34.42 O ATOM 618 CB VAL A 477 -10.404 -1.666 -9.014 1.00 31.14 C ATOM 619 CG1 VAL A 477 -11.138 -1.838 -10.340 1.00 11.00 C ATOM 620 CG2 VAL A 477 -10.586 -2.891 -8.125 1.00 31.53 C ATOM 0 H VAL A 477 -9.373 0.091 -10.652 1.00 64.41 H new ATOM 0 HA VAL A 477 -8.507 -1.164 -8.185 1.00 13.33 H new ATOM 0 HB VAL A 477 -10.858 -0.809 -8.516 1.00 31.14 H new ATOM 0 HG11 VAL A 477 -12.184 -2.079 -10.148 1.00 11.00 H new ATOM 0 HG12 VAL A 477 -11.078 -0.912 -10.912 1.00 11.00 H new ATOM 0 HG13 VAL A 477 -10.677 -2.646 -10.909 1.00 11.00 H new ATOM 0 HG21 VAL A 477 -11.649 -3.108 -8.018 1.00 31.53 H new ATOM 0 HG22 VAL A 477 -10.085 -3.747 -8.577 1.00 31.53 H new ATOM 0 HG23 VAL A 477 -10.155 -2.695 -7.143 1.00 31.53 H new ATOM 630 N HIS A 478 -7.142 -2.962 -9.131 1.00 41.34 N ATOM 631 CA HIS A 478 -6.307 -4.027 -9.617 1.00 43.53 C ATOM 632 C HIS A 478 -6.349 -5.186 -8.660 1.00 61.03 C ATOM 633 O HIS A 478 -5.675 -5.176 -7.631 1.00 41.23 O ATOM 634 CB HIS A 478 -4.843 -3.575 -9.825 1.00 23.55 C ATOM 635 CG HIS A 478 -4.611 -2.604 -10.958 1.00 12.41 C ATOM 636 ND1 HIS A 478 -4.150 -2.979 -12.198 1.00 5.03 N ATOM 637 CD2 HIS A 478 -4.727 -1.254 -11.003 1.00 42.12 C ATOM 638 CE1 HIS A 478 -3.994 -1.885 -12.936 1.00 41.32 C ATOM 639 NE2 HIS A 478 -4.331 -0.801 -12.259 1.00 50.44 N ATOM 0 H HIS A 478 -6.916 -2.651 -8.186 1.00 41.34 H new ATOM 0 HA HIS A 478 -6.698 -4.330 -10.588 1.00 43.53 H new ATOM 0 HB2 HIS A 478 -4.489 -3.118 -8.901 1.00 23.55 H new ATOM 0 HB3 HIS A 478 -4.230 -4.460 -9.998 1.00 23.55 H new ATOM 0 HD2 HIS A 478 -5.072 -0.629 -10.193 1.00 42.12 H new ATOM 0 HE1 HIS A 478 -3.638 -1.882 -13.956 1.00 41.32 H new ATOM 0 HE2 HIS A 478 -4.306 0.164 -12.587 1.00 50.44 H new ATOM 647 N MET A 479 -7.182 -6.151 -8.947 1.00 70.43 N ATOM 648 CA MET A 479 -7.238 -7.333 -8.124 1.00 41.43 C ATOM 649 C MET A 479 -6.077 -8.205 -8.469 1.00 63.14 C ATOM 650 O MET A 479 -5.789 -8.404 -9.656 1.00 11.00 O ATOM 651 CB MET A 479 -8.533 -8.125 -8.314 1.00 12.44 C ATOM 652 CG MET A 479 -9.808 -7.386 -7.934 1.00 13.12 C ATOM 653 SD MET A 479 -11.273 -8.431 -8.102 1.00 31.13 S ATOM 654 CE MET A 479 -12.561 -7.326 -7.522 1.00 73.35 C ATOM 0 H MET A 479 -7.827 -6.144 -9.737 1.00 70.43 H new ATOM 0 HA MET A 479 -7.205 -7.016 -7.082 1.00 41.43 H new ATOM 0 HB2 MET A 479 -8.605 -8.427 -9.359 1.00 12.44 H new ATOM 0 HB3 MET A 479 -8.471 -9.038 -7.722 1.00 12.44 H new ATOM 0 HG2 MET A 479 -9.730 -7.034 -6.905 1.00 13.12 H new ATOM 0 HG3 MET A 479 -9.918 -6.504 -8.565 1.00 13.12 H new ATOM 0 HE1 MET A 479 -13.524 -7.834 -7.568 1.00 73.35 H new ATOM 0 HE2 MET A 479 -12.354 -7.034 -6.493 1.00 73.35 H new ATOM 0 HE3 MET A 479 -12.589 -6.437 -8.152 1.00 73.35 H new ATOM 664 N VAL A 480 -5.402 -8.704 -7.466 1.00 34.51 N ATOM 665 CA VAL A 480 -4.284 -9.571 -7.692 1.00 41.12 C ATOM 666 C VAL A 480 -4.828 -10.935 -8.032 1.00 61.42 C ATOM 667 O VAL A 480 -5.332 -11.653 -7.165 1.00 21.15 O ATOM 668 CB VAL A 480 -3.327 -9.649 -6.471 1.00 34.03 C ATOM 669 CG1 VAL A 480 -2.146 -10.568 -6.769 1.00 60.44 C ATOM 670 CG2 VAL A 480 -2.830 -8.258 -6.086 1.00 14.53 C ATOM 0 H VAL A 480 -5.611 -8.522 -6.484 1.00 34.51 H new ATOM 0 HA VAL A 480 -3.685 -9.172 -8.511 1.00 41.12 H new ATOM 0 HB VAL A 480 -3.884 -10.063 -5.631 1.00 34.03 H new ATOM 0 HG11 VAL A 480 -1.488 -10.608 -5.901 1.00 60.44 H new ATOM 0 HG12 VAL A 480 -2.512 -11.570 -6.994 1.00 60.44 H new ATOM 0 HG13 VAL A 480 -1.593 -10.183 -7.626 1.00 60.44 H new ATOM 0 HG21 VAL A 480 -2.161 -8.335 -5.229 1.00 14.53 H new ATOM 0 HG22 VAL A 480 -2.293 -7.818 -6.926 1.00 14.53 H new ATOM 0 HG23 VAL A 480 -3.680 -7.627 -5.827 1.00 14.53 H new ATOM 680 N LEU A 481 -4.818 -11.242 -9.293 1.00 40.21 N ATOM 681 CA LEU A 481 -5.356 -12.482 -9.767 1.00 1.00 C ATOM 682 C LEU A 481 -4.273 -13.519 -9.859 1.00 41.43 C ATOM 683 O LEU A 481 -3.076 -13.191 -9.967 1.00 41.04 O ATOM 684 CB LEU A 481 -5.992 -12.302 -11.142 1.00 21.13 C ATOM 685 CG LEU A 481 -7.089 -11.244 -11.255 1.00 15.43 C ATOM 686 CD1 LEU A 481 -7.532 -11.118 -12.692 1.00 45.11 C ATOM 687 CD2 LEU A 481 -8.274 -11.585 -10.365 1.00 12.00 C ATOM 0 H LEU A 481 -4.437 -10.641 -10.023 1.00 40.21 H new ATOM 0 HA LEU A 481 -6.117 -12.811 -9.060 1.00 1.00 H new ATOM 0 HB2 LEU A 481 -5.204 -12.052 -11.852 1.00 21.13 H new ATOM 0 HB3 LEU A 481 -6.409 -13.260 -11.453 1.00 21.13 H new ATOM 0 HG LEU A 481 -6.682 -10.290 -10.919 1.00 15.43 H new ATOM 0 HD11 LEU A 481 -8.314 -10.362 -12.767 1.00 45.11 H new ATOM 0 HD12 LEU A 481 -6.683 -10.824 -13.310 1.00 45.11 H new ATOM 0 HD13 LEU A 481 -7.919 -12.076 -13.039 1.00 45.11 H new ATOM 0 HD21 LEU A 481 -9.039 -10.815 -10.466 1.00 12.00 H new ATOM 0 HD22 LEU A 481 -8.688 -12.548 -10.663 1.00 12.00 H new ATOM 0 HD23 LEU A 481 -7.946 -11.637 -9.327 1.00 12.00 H new ATOM 699 N ASN A 482 -4.680 -14.747 -9.811 1.00 73.24 N ATOM 700 CA ASN A 482 -3.790 -15.867 -9.944 1.00 10.24 C ATOM 701 C ASN A 482 -3.992 -16.397 -11.371 1.00 24.31 C ATOM 702 O ASN A 482 -4.852 -15.874 -12.096 1.00 13.01 O ATOM 703 CB ASN A 482 -4.162 -16.924 -8.880 1.00 23.33 C ATOM 704 CG ASN A 482 -3.088 -17.982 -8.588 1.00 15.51 C ATOM 705 OD1 ASN A 482 -2.275 -18.348 -9.441 1.00 25.25 O ATOM 706 ND2 ASN A 482 -3.097 -18.491 -7.380 1.00 13.33 N ATOM 0 H ASN A 482 -5.656 -15.009 -9.676 1.00 73.24 H new ATOM 0 HA ASN A 482 -2.744 -15.604 -9.788 1.00 10.24 H new ATOM 0 HB2 ASN A 482 -4.400 -16.408 -7.950 1.00 23.33 H new ATOM 0 HB3 ASN A 482 -5.070 -17.434 -9.203 1.00 23.33 H new ATOM 0 HD21 ASN A 482 -2.420 -19.210 -7.124 1.00 13.33 H new ATOM 0 HD22 ASN A 482 -3.781 -18.168 -6.696 1.00 13.33 H new ATOM 713 N HIS A 483 -3.277 -17.433 -11.746 1.00 0.31 N ATOM 714 CA HIS A 483 -3.279 -17.985 -13.109 1.00 0.23 C ATOM 715 C HIS A 483 -4.693 -18.359 -13.589 1.00 2.01 C ATOM 716 O HIS A 483 -5.052 -18.125 -14.742 1.00 41.32 O ATOM 717 CB HIS A 483 -2.334 -19.205 -13.171 1.00 35.44 C ATOM 718 CG HIS A 483 -2.101 -19.774 -14.548 1.00 13.04 C ATOM 719 ND1 HIS A 483 -0.992 -19.491 -15.310 1.00 54.51 N ATOM 720 CD2 HIS A 483 -2.830 -20.658 -15.272 1.00 4.51 C ATOM 721 CE1 HIS A 483 -1.069 -20.186 -16.442 1.00 32.40 C ATOM 722 NE2 HIS A 483 -2.172 -20.921 -16.472 1.00 14.04 N ATOM 0 H HIS A 483 -2.660 -17.936 -11.109 1.00 0.31 H new ATOM 0 HA HIS A 483 -2.919 -17.210 -13.786 1.00 0.23 H new ATOM 0 HB2 HIS A 483 -1.371 -18.919 -12.747 1.00 35.44 H new ATOM 0 HB3 HIS A 483 -2.742 -19.991 -12.536 1.00 35.44 H new ATOM 0 HD2 HIS A 483 -3.772 -21.090 -14.967 1.00 4.51 H new ATOM 0 HE1 HIS A 483 -0.332 -20.155 -17.231 1.00 32.40 H new ATOM 0 HE2 HIS A 483 -2.475 -21.548 -17.217 1.00 14.04 H new ATOM 730 N GLN A 484 -5.495 -18.899 -12.696 1.00 32.42 N ATOM 731 CA GLN A 484 -6.843 -19.334 -13.030 1.00 12.01 C ATOM 732 C GLN A 484 -7.818 -18.141 -13.167 1.00 42.13 C ATOM 733 O GLN A 484 -8.991 -18.309 -13.506 1.00 11.42 O ATOM 734 CB GLN A 484 -7.344 -20.350 -11.991 1.00 63.25 C ATOM 735 CG GLN A 484 -8.620 -21.084 -12.390 1.00 34.43 C ATOM 736 CD GLN A 484 -9.107 -22.065 -11.342 1.00 74.14 C ATOM 737 OE1 GLN A 484 -10.299 -22.319 -11.229 1.00 34.43 O ATOM 738 NE2 GLN A 484 -8.204 -22.629 -10.578 1.00 31.13 N ATOM 0 H GLN A 484 -5.237 -19.050 -11.721 1.00 32.42 H new ATOM 0 HA GLN A 484 -6.807 -19.822 -14.004 1.00 12.01 H new ATOM 0 HB2 GLN A 484 -6.559 -21.084 -11.811 1.00 63.25 H new ATOM 0 HB3 GLN A 484 -7.518 -19.831 -11.048 1.00 63.25 H new ATOM 0 HG2 GLN A 484 -9.405 -20.353 -12.584 1.00 34.43 H new ATOM 0 HG3 GLN A 484 -8.445 -21.619 -13.323 1.00 34.43 H new ATOM 0 HE21 GLN A 484 -7.218 -22.396 -10.697 1.00 31.13 H new ATOM 0 HE22 GLN A 484 -8.487 -23.301 -9.865 1.00 31.13 H new ATOM 747 N GLY A 485 -7.328 -16.948 -12.935 1.00 24.32 N ATOM 748 CA GLY A 485 -8.158 -15.776 -13.045 1.00 42.55 C ATOM 749 C GLY A 485 -9.034 -15.594 -11.837 1.00 45.12 C ATOM 750 O GLY A 485 -10.162 -15.111 -11.934 1.00 42.25 O ATOM 0 H GLY A 485 -6.361 -16.764 -12.669 1.00 24.32 H new ATOM 0 HA2 GLY A 485 -7.528 -14.896 -13.173 1.00 42.55 H new ATOM 0 HA3 GLY A 485 -8.780 -15.854 -13.936 1.00 42.55 H new ATOM 754 N ARG A 486 -8.527 -16.014 -10.708 1.00 53.15 N ATOM 755 CA ARG A 486 -9.216 -15.871 -9.444 1.00 21.01 C ATOM 756 C ARG A 486 -8.371 -15.002 -8.564 1.00 63.24 C ATOM 757 O ARG A 486 -7.142 -15.114 -8.614 1.00 74.05 O ATOM 758 CB ARG A 486 -9.476 -17.232 -8.742 1.00 1.11 C ATOM 759 CG ARG A 486 -10.759 -17.969 -9.151 1.00 22.33 C ATOM 760 CD ARG A 486 -10.779 -18.381 -10.610 1.00 11.54 C ATOM 761 NE ARG A 486 -12.036 -19.044 -10.966 1.00 44.24 N ATOM 762 CZ ARG A 486 -12.422 -19.366 -12.213 1.00 12.15 C ATOM 763 NH1 ARG A 486 -11.615 -19.144 -13.255 1.00 52.34 N ATOM 764 NH2 ARG A 486 -13.608 -19.918 -12.412 1.00 33.02 N ATOM 0 H ARG A 486 -7.617 -16.469 -10.635 1.00 53.15 H new ATOM 0 HA ARG A 486 -10.195 -15.428 -9.630 1.00 21.01 H new ATOM 0 HB2 ARG A 486 -8.627 -17.887 -8.938 1.00 1.11 H new ATOM 0 HB3 ARG A 486 -9.506 -17.063 -7.666 1.00 1.11 H new ATOM 0 HG2 ARG A 486 -10.873 -18.857 -8.529 1.00 22.33 H new ATOM 0 HG3 ARG A 486 -11.617 -17.327 -8.951 1.00 22.33 H new ATOM 0 HD2 ARG A 486 -10.640 -17.502 -11.239 1.00 11.54 H new ATOM 0 HD3 ARG A 486 -9.944 -19.052 -10.811 1.00 11.54 H new ATOM 0 HE ARG A 486 -12.671 -19.281 -10.204 1.00 44.24 H new ATOM 0 HH11 ARG A 486 -10.696 -18.726 -13.108 1.00 52.34 H new ATOM 0 HH12 ARG A 486 -11.918 -19.392 -14.197 1.00 52.34 H new ATOM 0 HH21 ARG A 486 -14.226 -20.098 -11.621 1.00 33.02 H new ATOM 0 HH22 ARG A 486 -13.904 -20.164 -13.357 1.00 33.02 H new ATOM 778 N PRO A 487 -8.977 -14.092 -7.801 1.00 32.11 N ATOM 779 CA PRO A 487 -8.237 -13.229 -6.894 1.00 41.15 C ATOM 780 C PRO A 487 -7.504 -14.049 -5.835 1.00 31.00 C ATOM 781 O PRO A 487 -8.074 -14.972 -5.237 1.00 73.30 O ATOM 782 CB PRO A 487 -9.320 -12.345 -6.244 1.00 31.14 C ATOM 783 CG PRO A 487 -10.608 -13.061 -6.484 1.00 10.33 C ATOM 784 CD PRO A 487 -10.430 -13.816 -7.770 1.00 11.12 C ATOM 0 HA PRO A 487 -7.472 -12.646 -7.408 1.00 41.15 H new ATOM 0 HB2 PRO A 487 -9.135 -12.216 -5.178 1.00 31.14 H new ATOM 0 HB3 PRO A 487 -9.334 -11.350 -6.688 1.00 31.14 H new ATOM 0 HG2 PRO A 487 -10.836 -13.739 -5.662 1.00 10.33 H new ATOM 0 HG3 PRO A 487 -11.438 -12.358 -6.556 1.00 10.33 H new ATOM 0 HD2 PRO A 487 -11.015 -14.736 -7.781 1.00 11.12 H new ATOM 0 HD3 PRO A 487 -10.746 -13.226 -8.630 1.00 11.12 H new ATOM 792 N SER A 488 -6.254 -13.716 -5.610 1.00 30.04 N ATOM 793 CA SER A 488 -5.422 -14.390 -4.634 1.00 30.34 C ATOM 794 C SER A 488 -5.790 -13.953 -3.200 1.00 32.45 C ATOM 795 O SER A 488 -5.167 -14.360 -2.222 1.00 53.31 O ATOM 796 CB SER A 488 -3.957 -14.102 -4.956 1.00 21.25 C ATOM 797 OG SER A 488 -3.683 -14.438 -6.317 1.00 14.11 O ATOM 0 H SER A 488 -5.779 -12.961 -6.104 1.00 30.04 H new ATOM 0 HA SER A 488 -5.590 -15.466 -4.685 1.00 30.34 H new ATOM 0 HB2 SER A 488 -3.737 -13.049 -4.781 1.00 21.25 H new ATOM 0 HB3 SER A 488 -3.310 -14.677 -4.293 1.00 21.25 H new ATOM 0 HG SER A 488 -2.742 -14.249 -6.518 1.00 14.11 H new ATOM 803 N GLY A 489 -6.790 -13.101 -3.107 1.00 30.13 N ATOM 804 CA GLY A 489 -7.310 -12.673 -1.834 1.00 70.20 C ATOM 805 C GLY A 489 -7.128 -11.210 -1.616 1.00 62.43 C ATOM 806 O GLY A 489 -7.928 -10.582 -0.934 1.00 73.31 O ATOM 0 H GLY A 489 -7.261 -12.689 -3.912 1.00 30.13 H new ATOM 0 HA2 GLY A 489 -8.370 -12.918 -1.775 1.00 70.20 H new ATOM 0 HA3 GLY A 489 -6.811 -13.223 -1.036 1.00 70.20 H new ATOM 810 N ASP A 490 -6.083 -10.660 -2.177 1.00 0.43 N ATOM 811 CA ASP A 490 -5.813 -9.264 -2.041 1.00 53.24 C ATOM 812 C ASP A 490 -5.943 -8.537 -3.367 1.00 55.12 C ATOM 813 O ASP A 490 -5.763 -9.125 -4.440 1.00 35.45 O ATOM 814 CB ASP A 490 -4.462 -9.005 -1.350 1.00 21.01 C ATOM 815 CG ASP A 490 -3.242 -9.566 -2.060 1.00 44.21 C ATOM 816 OD1 ASP A 490 -2.447 -8.782 -2.620 1.00 11.24 O ATOM 817 OD2 ASP A 490 -3.021 -10.806 -2.006 1.00 51.43 O ATOM 0 H ASP A 490 -5.401 -11.170 -2.738 1.00 0.43 H new ATOM 0 HA ASP A 490 -6.575 -8.847 -1.383 1.00 53.24 H new ATOM 0 HB2 ASP A 490 -4.332 -7.929 -1.239 1.00 21.01 H new ATOM 0 HB3 ASP A 490 -4.501 -9.427 -0.346 1.00 21.01 H new ATOM 822 N ALA A 491 -6.323 -7.283 -3.289 1.00 55.30 N ATOM 823 CA ALA A 491 -6.550 -6.442 -4.453 1.00 32.01 C ATOM 824 C ALA A 491 -6.268 -5.012 -4.101 1.00 54.41 C ATOM 825 O ALA A 491 -6.366 -4.640 -2.960 1.00 30.35 O ATOM 826 CB ALA A 491 -7.990 -6.546 -4.888 1.00 51.12 C ATOM 0 H ALA A 491 -6.487 -6.806 -2.403 1.00 55.30 H new ATOM 0 HA ALA A 491 -5.892 -6.772 -5.257 1.00 32.01 H new ATOM 0 HB1 ALA A 491 -8.153 -5.913 -5.761 1.00 51.12 H new ATOM 0 HB2 ALA A 491 -8.220 -7.581 -5.142 1.00 51.12 H new ATOM 0 HB3 ALA A 491 -8.640 -6.219 -4.076 1.00 51.12 H new ATOM 832 N PHE A 492 -5.948 -4.224 -5.066 1.00 50.21 N ATOM 833 CA PHE A 492 -5.666 -2.833 -4.847 1.00 21.44 C ATOM 834 C PHE A 492 -6.732 -1.955 -5.446 1.00 3.14 C ATOM 835 O PHE A 492 -7.319 -2.279 -6.479 1.00 65.15 O ATOM 836 CB PHE A 492 -4.352 -2.448 -5.480 1.00 55.45 C ATOM 837 CG PHE A 492 -3.124 -2.964 -4.821 1.00 11.34 C ATOM 838 CD1 PHE A 492 -2.522 -2.239 -3.810 1.00 13.52 C ATOM 839 CD2 PHE A 492 -2.548 -4.151 -5.228 1.00 25.12 C ATOM 840 CE1 PHE A 492 -1.369 -2.687 -3.216 1.00 0.13 C ATOM 841 CE2 PHE A 492 -1.398 -4.607 -4.636 1.00 54.31 C ATOM 842 CZ PHE A 492 -0.806 -3.871 -3.628 1.00 42.23 C ATOM 0 H PHE A 492 -5.872 -4.520 -6.039 1.00 50.21 H new ATOM 0 HA PHE A 492 -5.629 -2.688 -3.767 1.00 21.44 H new ATOM 0 HB2 PHE A 492 -4.356 -2.795 -6.513 1.00 55.45 H new ATOM 0 HB3 PHE A 492 -4.293 -1.360 -5.509 1.00 55.45 H new ATOM 0 HD1 PHE A 492 -2.964 -1.309 -3.484 1.00 13.52 H new ATOM 0 HD2 PHE A 492 -3.007 -4.725 -6.019 1.00 25.12 H new ATOM 0 HE1 PHE A 492 -0.906 -2.112 -2.428 1.00 0.13 H new ATOM 0 HE2 PHE A 492 -0.956 -5.539 -4.957 1.00 54.31 H new ATOM 0 HZ PHE A 492 0.101 -4.227 -3.163 1.00 42.23 H new ATOM 852 N ILE A 493 -6.975 -0.869 -4.789 1.00 32.24 N ATOM 853 CA ILE A 493 -7.836 0.172 -5.262 1.00 55.42 C ATOM 854 C ILE A 493 -7.039 1.446 -5.203 1.00 71.32 C ATOM 855 O ILE A 493 -6.518 1.812 -4.160 1.00 30.33 O ATOM 856 CB ILE A 493 -9.113 0.334 -4.411 1.00 35.21 C ATOM 857 CG1 ILE A 493 -9.948 -0.948 -4.429 1.00 40.34 C ATOM 858 CG2 ILE A 493 -9.941 1.534 -4.889 1.00 20.02 C ATOM 859 CD1 ILE A 493 -11.221 -0.857 -3.629 1.00 75.43 C ATOM 0 H ILE A 493 -6.566 -0.672 -3.875 1.00 32.24 H new ATOM 0 HA ILE A 493 -8.169 -0.074 -6.270 1.00 55.42 H new ATOM 0 HB ILE A 493 -8.810 0.523 -3.381 1.00 35.21 H new ATOM 0 HG12 ILE A 493 -10.196 -1.194 -5.461 1.00 40.34 H new ATOM 0 HG13 ILE A 493 -9.344 -1.769 -4.041 1.00 40.34 H new ATOM 0 HG21 ILE A 493 -10.836 1.627 -4.273 1.00 20.02 H new ATOM 0 HG22 ILE A 493 -9.346 2.443 -4.804 1.00 20.02 H new ATOM 0 HG23 ILE A 493 -10.230 1.385 -5.929 1.00 20.02 H new ATOM 0 HD11 ILE A 493 -11.758 -1.804 -3.690 1.00 75.43 H new ATOM 0 HD12 ILE A 493 -10.982 -0.642 -2.588 1.00 75.43 H new ATOM 0 HD13 ILE A 493 -11.846 -0.059 -4.030 1.00 75.43 H new ATOM 871 N GLN A 494 -6.914 2.065 -6.300 1.00 54.23 N ATOM 872 CA GLN A 494 -6.144 3.267 -6.426 1.00 63.30 C ATOM 873 C GLN A 494 -7.070 4.478 -6.436 1.00 32.22 C ATOM 874 O GLN A 494 -7.867 4.655 -7.364 1.00 64.53 O ATOM 875 CB GLN A 494 -5.323 3.159 -7.692 1.00 11.21 C ATOM 876 CG GLN A 494 -4.427 4.312 -7.976 1.00 43.42 C ATOM 877 CD GLN A 494 -3.581 4.048 -9.189 1.00 31.31 C ATOM 878 OE1 GLN A 494 -3.970 4.353 -10.317 1.00 2.50 O ATOM 879 NE2 GLN A 494 -2.431 3.462 -8.981 1.00 33.35 N ATOM 0 H GLN A 494 -7.348 1.758 -7.171 1.00 54.23 H new ATOM 0 HA GLN A 494 -5.470 3.397 -5.580 1.00 63.30 H new ATOM 0 HB2 GLN A 494 -4.716 2.255 -7.634 1.00 11.21 H new ATOM 0 HB3 GLN A 494 -6.002 3.033 -8.535 1.00 11.21 H new ATOM 0 HG2 GLN A 494 -5.023 5.211 -8.132 1.00 43.42 H new ATOM 0 HG3 GLN A 494 -3.786 4.500 -7.115 1.00 43.42 H new ATOM 0 HE21 GLN A 494 -2.144 3.225 -8.031 1.00 33.35 H new ATOM 0 HE22 GLN A 494 -1.821 3.242 -9.768 1.00 33.35 H new ATOM 888 N MET A 495 -6.966 5.290 -5.414 1.00 45.51 N ATOM 889 CA MET A 495 -7.852 6.422 -5.220 1.00 30.34 C ATOM 890 C MET A 495 -7.276 7.684 -5.823 1.00 0.40 C ATOM 891 O MET A 495 -6.145 7.707 -6.298 1.00 64.14 O ATOM 892 CB MET A 495 -8.109 6.652 -3.728 1.00 42.25 C ATOM 893 CG MET A 495 -8.710 5.459 -3.012 1.00 31.11 C ATOM 894 SD MET A 495 -10.353 5.009 -3.603 1.00 22.03 S ATOM 895 CE MET A 495 -11.308 6.422 -3.072 1.00 60.13 C ATOM 0 H MET A 495 -6.260 5.188 -4.685 1.00 45.51 H new ATOM 0 HA MET A 495 -8.790 6.189 -5.723 1.00 30.34 H new ATOM 0 HB2 MET A 495 -7.168 6.916 -3.245 1.00 42.25 H new ATOM 0 HB3 MET A 495 -8.777 7.506 -3.613 1.00 42.25 H new ATOM 0 HG2 MET A 495 -8.045 4.604 -3.129 1.00 31.11 H new ATOM 0 HG3 MET A 495 -8.765 5.677 -1.945 1.00 31.11 H new ATOM 0 HE1 MET A 495 -12.345 6.297 -3.382 1.00 60.13 H new ATOM 0 HE2 MET A 495 -11.262 6.505 -1.986 1.00 60.13 H new ATOM 0 HE3 MET A 495 -10.901 7.327 -3.523 1.00 60.13 H new ATOM 905 N LYS A 496 -8.081 8.720 -5.817 1.00 45.03 N ATOM 906 CA LYS A 496 -7.714 10.026 -6.332 1.00 41.25 C ATOM 907 C LYS A 496 -6.777 10.740 -5.347 1.00 50.21 C ATOM 908 O LYS A 496 -5.810 11.378 -5.748 1.00 73.34 O ATOM 909 CB LYS A 496 -9.015 10.828 -6.536 1.00 52.13 C ATOM 910 CG LYS A 496 -8.947 12.035 -7.486 1.00 42.05 C ATOM 911 CD LYS A 496 -8.211 13.228 -6.906 1.00 74.10 C ATOM 912 CE LYS A 496 -8.161 14.364 -7.909 1.00 54.23 C ATOM 913 NZ LYS A 496 -7.498 15.556 -7.361 1.00 54.55 N ATOM 0 H LYS A 496 -9.031 8.682 -5.447 1.00 45.03 H new ATOM 0 HA LYS A 496 -7.181 9.933 -7.278 1.00 41.25 H new ATOM 0 HB2 LYS A 496 -9.779 10.146 -6.909 1.00 52.13 H new ATOM 0 HB3 LYS A 496 -9.352 11.182 -5.562 1.00 52.13 H new ATOM 0 HG2 LYS A 496 -8.456 11.731 -8.411 1.00 42.05 H new ATOM 0 HG3 LYS A 496 -9.961 12.337 -7.748 1.00 42.05 H new ATOM 0 HD2 LYS A 496 -8.709 13.561 -5.995 1.00 74.10 H new ATOM 0 HD3 LYS A 496 -7.198 12.937 -6.627 1.00 74.10 H new ATOM 0 HE2 LYS A 496 -7.632 14.034 -8.803 1.00 54.23 H new ATOM 0 HE3 LYS A 496 -9.175 14.622 -8.215 1.00 54.23 H new ATOM 0 HZ1 LYS A 496 -7.486 16.308 -8.080 1.00 54.55 H new ATOM 0 HZ2 LYS A 496 -8.017 15.887 -6.522 1.00 54.55 H new ATOM 0 HZ3 LYS A 496 -6.522 15.318 -7.093 1.00 54.55 H new ATOM 927 N SER A 497 -7.067 10.613 -4.074 1.00 22.42 N ATOM 928 CA SER A 497 -6.324 11.297 -3.060 1.00 35.02 C ATOM 929 C SER A 497 -6.131 10.391 -1.841 1.00 73.40 C ATOM 930 O SER A 497 -6.981 9.520 -1.562 1.00 1.15 O ATOM 931 CB SER A 497 -7.037 12.620 -2.712 1.00 31.12 C ATOM 932 OG SER A 497 -6.394 13.332 -1.671 1.00 55.52 O ATOM 0 H SER A 497 -7.826 10.031 -3.719 1.00 22.42 H new ATOM 0 HA SER A 497 -5.327 11.544 -3.425 1.00 35.02 H new ATOM 0 HB2 SER A 497 -7.082 13.248 -3.602 1.00 31.12 H new ATOM 0 HB3 SER A 497 -8.065 12.407 -2.419 1.00 31.12 H new ATOM 0 HG SER A 497 -7.023 13.472 -0.933 1.00 55.52 H new ATOM 938 N ALA A 498 -5.027 10.607 -1.123 1.00 73.41 N ATOM 939 CA ALA A 498 -4.625 9.792 0.023 1.00 34.13 C ATOM 940 C ALA A 498 -5.593 9.910 1.180 1.00 4.32 C ATOM 941 O ALA A 498 -5.784 8.958 1.930 1.00 52.44 O ATOM 942 CB ALA A 498 -3.227 10.177 0.482 1.00 3.01 C ATOM 0 H ALA A 498 -4.377 11.366 -1.326 1.00 73.41 H new ATOM 0 HA ALA A 498 -4.630 8.753 -0.308 1.00 34.13 H new ATOM 0 HB1 ALA A 498 -2.942 9.562 1.335 1.00 3.01 H new ATOM 0 HB2 ALA A 498 -2.520 10.018 -0.332 1.00 3.01 H new ATOM 0 HB3 ALA A 498 -3.216 11.228 0.772 1.00 3.01 H new ATOM 948 N ASP A 499 -6.232 11.058 1.293 1.00 64.44 N ATOM 949 CA ASP A 499 -7.162 11.329 2.395 1.00 52.14 C ATOM 950 C ASP A 499 -8.347 10.383 2.309 1.00 74.02 C ATOM 951 O ASP A 499 -8.785 9.803 3.296 1.00 1.44 O ATOM 952 CB ASP A 499 -7.636 12.803 2.376 1.00 14.51 C ATOM 953 CG ASP A 499 -8.590 13.168 1.242 1.00 2.23 C ATOM 954 OD1 ASP A 499 -8.321 12.819 0.065 1.00 0.11 O ATOM 955 OD2 ASP A 499 -9.614 13.817 1.510 1.00 65.35 O ATOM 0 H ASP A 499 -6.129 11.830 0.634 1.00 64.44 H new ATOM 0 HA ASP A 499 -6.641 11.163 3.338 1.00 52.14 H new ATOM 0 HB2 ASP A 499 -8.126 13.022 3.325 1.00 14.51 H new ATOM 0 HB3 ASP A 499 -6.760 13.448 2.313 1.00 14.51 H new ATOM 960 N ARG A 500 -8.816 10.215 1.112 1.00 13.41 N ATOM 961 CA ARG A 500 -9.901 9.322 0.792 1.00 42.51 C ATOM 962 C ARG A 500 -9.472 7.882 0.973 1.00 3.13 C ATOM 963 O ARG A 500 -10.235 7.057 1.462 1.00 33.24 O ATOM 964 CB ARG A 500 -10.341 9.560 -0.636 1.00 22.33 C ATOM 965 CG ARG A 500 -10.967 10.917 -0.875 1.00 41.31 C ATOM 966 CD ARG A 500 -10.879 11.279 -2.339 1.00 43.25 C ATOM 967 NE ARG A 500 -11.619 12.489 -2.683 1.00 72.13 N ATOM 968 CZ ARG A 500 -11.206 13.759 -2.496 1.00 42.34 C ATOM 969 NH1 ARG A 500 -10.180 14.046 -1.681 1.00 4.33 N ATOM 970 NH2 ARG A 500 -11.875 14.746 -3.070 1.00 52.14 N ATOM 0 H ARG A 500 -8.446 10.709 0.300 1.00 13.41 H new ATOM 0 HA ARG A 500 -10.735 9.517 1.466 1.00 42.51 H new ATOM 0 HB2 ARG A 500 -9.478 9.450 -1.293 1.00 22.33 H new ATOM 0 HB3 ARG A 500 -11.057 8.788 -0.917 1.00 22.33 H new ATOM 0 HG2 ARG A 500 -12.010 10.906 -0.557 1.00 41.31 H new ATOM 0 HG3 ARG A 500 -10.459 11.671 -0.275 1.00 41.31 H new ATOM 0 HD2 ARG A 500 -9.832 11.413 -2.610 1.00 43.25 H new ATOM 0 HD3 ARG A 500 -11.258 10.449 -2.934 1.00 43.25 H new ATOM 0 HE ARG A 500 -12.538 12.362 -3.106 1.00 72.13 H new ATOM 0 HH11 ARG A 500 -9.695 13.296 -1.188 1.00 4.33 H new ATOM 0 HH12 ARG A 500 -9.885 15.014 -1.554 1.00 4.33 H new ATOM 0 HH21 ARG A 500 -12.692 14.541 -3.645 1.00 52.14 H new ATOM 0 HH22 ARG A 500 -11.574 15.711 -2.937 1.00 52.14 H new ATOM 984 N ALA A 501 -8.245 7.597 0.597 1.00 3.42 N ATOM 985 CA ALA A 501 -7.706 6.263 0.705 1.00 2.24 C ATOM 986 C ALA A 501 -7.580 5.846 2.152 1.00 0.51 C ATOM 987 O ALA A 501 -7.941 4.725 2.511 1.00 11.23 O ATOM 988 CB ALA A 501 -6.375 6.153 -0.012 1.00 53.02 C ATOM 0 H ALA A 501 -7.596 8.282 0.209 1.00 3.42 H new ATOM 0 HA ALA A 501 -8.403 5.580 0.219 1.00 2.24 H new ATOM 0 HB1 ALA A 501 -5.992 5.137 0.086 1.00 53.02 H new ATOM 0 HB2 ALA A 501 -6.510 6.390 -1.067 1.00 53.02 H new ATOM 0 HB3 ALA A 501 -5.665 6.852 0.429 1.00 53.02 H new ATOM 994 N PHE A 502 -7.116 6.756 2.984 1.00 11.21 N ATOM 995 CA PHE A 502 -6.959 6.462 4.388 1.00 52.34 C ATOM 996 C PHE A 502 -8.314 6.304 5.033 1.00 3.14 C ATOM 997 O PHE A 502 -8.533 5.377 5.800 1.00 74.14 O ATOM 998 CB PHE A 502 -6.142 7.540 5.122 1.00 73.03 C ATOM 999 CG PHE A 502 -5.921 7.222 6.589 1.00 3.03 C ATOM 1000 CD1 PHE A 502 -4.934 6.333 6.976 1.00 64.51 C ATOM 1001 CD2 PHE A 502 -6.711 7.803 7.570 1.00 11.12 C ATOM 1002 CE1 PHE A 502 -4.740 6.024 8.309 1.00 53.32 C ATOM 1003 CE2 PHE A 502 -6.521 7.502 8.904 1.00 71.04 C ATOM 1004 CZ PHE A 502 -5.532 6.611 9.274 1.00 24.34 C ATOM 0 H PHE A 502 -6.843 7.700 2.711 1.00 11.21 H new ATOM 0 HA PHE A 502 -6.403 5.528 4.468 1.00 52.34 H new ATOM 0 HB2 PHE A 502 -5.175 7.652 4.631 1.00 73.03 H new ATOM 0 HB3 PHE A 502 -6.656 8.498 5.037 1.00 73.03 H new ATOM 0 HD1 PHE A 502 -4.307 5.874 6.226 1.00 64.51 H new ATOM 0 HD2 PHE A 502 -7.485 8.500 7.286 1.00 11.12 H new ATOM 0 HE1 PHE A 502 -3.969 5.324 8.595 1.00 53.32 H new ATOM 0 HE2 PHE A 502 -7.144 7.962 9.657 1.00 71.04 H new ATOM 0 HZ PHE A 502 -5.379 6.375 10.317 1.00 24.34 H new ATOM 1014 N MET A 503 -9.230 7.179 4.673 1.00 54.33 N ATOM 1015 CA MET A 503 -10.559 7.171 5.248 1.00 2.24 C ATOM 1016 C MET A 503 -11.291 5.883 4.883 1.00 62.44 C ATOM 1017 O MET A 503 -11.946 5.265 5.732 1.00 74.41 O ATOM 1018 CB MET A 503 -11.354 8.395 4.797 1.00 13.45 C ATOM 1019 CG MET A 503 -12.704 8.531 5.482 1.00 24.31 C ATOM 1020 SD MET A 503 -13.645 9.984 4.948 1.00 51.24 S ATOM 1021 CE MET A 503 -12.528 11.307 5.429 1.00 11.03 C ATOM 0 H MET A 503 -9.076 7.910 3.979 1.00 54.33 H new ATOM 0 HA MET A 503 -10.463 7.215 6.333 1.00 2.24 H new ATOM 0 HB2 MET A 503 -10.766 9.292 4.991 1.00 13.45 H new ATOM 0 HB3 MET A 503 -11.507 8.341 3.719 1.00 13.45 H new ATOM 0 HG2 MET A 503 -13.293 7.635 5.287 1.00 24.31 H new ATOM 0 HG3 MET A 503 -12.551 8.583 6.560 1.00 24.31 H new ATOM 0 HE1 MET A 503 -13.079 12.246 5.485 1.00 11.03 H new ATOM 0 HE2 MET A 503 -12.095 11.081 6.404 1.00 11.03 H new ATOM 0 HE3 MET A 503 -11.731 11.397 4.690 1.00 11.03 H new ATOM 1031 N ALA A 504 -11.132 5.450 3.636 1.00 54.13 N ATOM 1032 CA ALA A 504 -11.761 4.233 3.176 1.00 24.22 C ATOM 1033 C ALA A 504 -11.137 3.029 3.861 1.00 14.13 C ATOM 1034 O ALA A 504 -11.840 2.110 4.274 1.00 1.34 O ATOM 1035 CB ALA A 504 -11.655 4.104 1.664 1.00 50.44 C ATOM 0 H ALA A 504 -10.571 5.929 2.932 1.00 54.13 H new ATOM 0 HA ALA A 504 -12.819 4.274 3.436 1.00 24.22 H new ATOM 0 HB1 ALA A 504 -12.136 3.180 1.343 1.00 50.44 H new ATOM 0 HB2 ALA A 504 -12.148 4.953 1.191 1.00 50.44 H new ATOM 0 HB3 ALA A 504 -10.605 4.086 1.373 1.00 50.44 H new ATOM 1041 N ALA A 505 -9.820 3.065 4.023 1.00 4.11 N ATOM 1042 CA ALA A 505 -9.089 1.987 4.665 1.00 52.34 C ATOM 1043 C ALA A 505 -9.426 1.900 6.130 1.00 3.40 C ATOM 1044 O ALA A 505 -9.526 0.827 6.670 1.00 65.01 O ATOM 1045 CB ALA A 505 -7.589 2.140 4.467 1.00 14.23 C ATOM 0 H ALA A 505 -9.234 3.840 3.714 1.00 4.11 H new ATOM 0 HA ALA A 505 -9.396 1.055 4.190 1.00 52.34 H new ATOM 0 HB1 ALA A 505 -7.071 1.317 4.960 1.00 14.23 H new ATOM 0 HB2 ALA A 505 -7.359 2.127 3.402 1.00 14.23 H new ATOM 0 HB3 ALA A 505 -7.260 3.086 4.898 1.00 14.23 H new ATOM 1051 N GLN A 506 -9.611 3.035 6.753 1.00 42.04 N ATOM 1052 CA GLN A 506 -9.968 3.097 8.154 1.00 32.41 C ATOM 1053 C GLN A 506 -11.348 2.493 8.365 1.00 20.53 C ATOM 1054 O GLN A 506 -11.553 1.686 9.282 1.00 13.34 O ATOM 1055 CB GLN A 506 -9.934 4.545 8.643 1.00 22.33 C ATOM 1056 CG GLN A 506 -10.223 4.723 10.120 1.00 31.51 C ATOM 1057 CD GLN A 506 -10.286 6.178 10.510 1.00 21.41 C ATOM 1058 OE1 GLN A 506 -9.288 6.782 10.864 1.00 12.12 O ATOM 1059 NE2 GLN A 506 -11.458 6.741 10.467 1.00 54.54 N ATOM 0 H GLN A 506 -9.519 3.947 6.305 1.00 42.04 H new ATOM 0 HA GLN A 506 -9.244 2.522 8.732 1.00 32.41 H new ATOM 0 HB2 GLN A 506 -8.951 4.964 8.426 1.00 22.33 H new ATOM 0 HB3 GLN A 506 -10.660 5.124 8.072 1.00 22.33 H new ATOM 0 HG2 GLN A 506 -11.169 4.240 10.365 1.00 31.51 H new ATOM 0 HG3 GLN A 506 -9.450 4.224 10.704 1.00 31.51 H new ATOM 0 HE21 GLN A 506 -12.271 6.204 10.165 1.00 54.54 H new ATOM 0 HE22 GLN A 506 -11.564 7.719 10.735 1.00 54.54 H new ATOM 1068 N LYS A 507 -12.272 2.852 7.496 1.00 34.24 N ATOM 1069 CA LYS A 507 -13.626 2.345 7.565 1.00 54.33 C ATOM 1070 C LYS A 507 -13.652 0.836 7.286 1.00 50.22 C ATOM 1071 O LYS A 507 -14.347 0.074 7.960 1.00 1.34 O ATOM 1072 CB LYS A 507 -14.532 3.089 6.559 1.00 5.40 C ATOM 1073 CG LYS A 507 -15.980 2.605 6.544 1.00 51.24 C ATOM 1074 CD LYS A 507 -16.816 3.335 5.500 1.00 3.10 C ATOM 1075 CE LYS A 507 -18.241 2.794 5.474 1.00 20.04 C ATOM 1076 NZ LYS A 507 -19.073 3.441 4.437 1.00 72.33 N ATOM 0 H LYS A 507 -12.106 3.500 6.726 1.00 34.24 H new ATOM 0 HA LYS A 507 -14.006 2.518 8.572 1.00 54.33 H new ATOM 0 HB2 LYS A 507 -14.519 4.153 6.794 1.00 5.40 H new ATOM 0 HB3 LYS A 507 -14.113 2.978 5.559 1.00 5.40 H new ATOM 0 HG2 LYS A 507 -16.002 1.534 6.342 1.00 51.24 H new ATOM 0 HG3 LYS A 507 -16.422 2.752 7.530 1.00 51.24 H new ATOM 0 HD2 LYS A 507 -16.831 4.402 5.721 1.00 3.10 H new ATOM 0 HD3 LYS A 507 -16.360 3.219 4.517 1.00 3.10 H new ATOM 0 HE2 LYS A 507 -18.215 1.719 5.296 1.00 20.04 H new ATOM 0 HE3 LYS A 507 -18.701 2.944 6.451 1.00 20.04 H new ATOM 0 HZ1 LYS A 507 -20.032 3.039 4.460 1.00 72.33 H new ATOM 0 HZ2 LYS A 507 -19.122 4.464 4.620 1.00 72.33 H new ATOM 0 HZ3 LYS A 507 -18.651 3.276 3.501 1.00 72.33 H new ATOM 1090 N CYS A 508 -12.858 0.412 6.339 1.00 40.32 N ATOM 1091 CA CYS A 508 -12.873 -0.949 5.903 1.00 74.25 C ATOM 1092 C CYS A 508 -11.741 -1.799 6.519 1.00 63.22 C ATOM 1093 O CYS A 508 -11.476 -2.918 6.065 1.00 74.32 O ATOM 1094 CB CYS A 508 -12.832 -0.985 4.387 1.00 21.22 C ATOM 1095 SG CYS A 508 -14.100 0.043 3.611 1.00 44.34 S ATOM 0 H CYS A 508 -12.185 1.004 5.852 1.00 40.32 H new ATOM 0 HA CYS A 508 -13.798 -1.403 6.258 1.00 74.25 H new ATOM 0 HB2 CYS A 508 -11.850 -0.654 4.049 1.00 21.22 H new ATOM 0 HB3 CYS A 508 -12.954 -2.015 4.052 1.00 21.22 H new ATOM 0 HG CYS A 508 -13.685 1.274 3.553 1.00 44.34 H new ATOM 1101 N HIS A 509 -11.062 -1.289 7.533 1.00 4.43 N ATOM 1102 CA HIS A 509 -10.038 -2.087 8.191 1.00 13.13 C ATOM 1103 C HIS A 509 -10.695 -3.227 8.989 1.00 25.35 C ATOM 1104 O HIS A 509 -11.194 -3.021 10.095 1.00 32.14 O ATOM 1105 CB HIS A 509 -9.124 -1.227 9.074 1.00 33.21 C ATOM 1106 CG HIS A 509 -7.875 -1.940 9.497 1.00 52.05 C ATOM 1107 ND1 HIS A 509 -6.832 -2.210 8.640 1.00 31.12 N ATOM 1108 CD2 HIS A 509 -7.517 -2.459 10.693 1.00 21.15 C ATOM 1109 CE1 HIS A 509 -5.898 -2.865 9.314 1.00 63.31 C ATOM 1110 NE2 HIS A 509 -6.259 -3.047 10.573 1.00 15.43 N ATOM 0 H HIS A 509 -11.194 -0.351 7.912 1.00 4.43 H new ATOM 0 HA HIS A 509 -9.399 -2.526 7.425 1.00 13.13 H new ATOM 0 HB2 HIS A 509 -8.852 -0.321 8.532 1.00 33.21 H new ATOM 0 HB3 HIS A 509 -9.675 -0.914 9.961 1.00 33.21 H new ATOM 0 HD1 HIS A 509 -6.786 -1.950 7.655 1.00 31.12 H new ATOM 0 HD2 HIS A 509 -8.110 -2.424 11.595 1.00 21.15 H new ATOM 0 HE1 HIS A 509 -4.965 -3.205 8.891 1.00 63.31 H new ATOM 1118 N LYS A 510 -10.759 -4.385 8.349 1.00 10.12 N ATOM 1119 CA LYS A 510 -11.377 -5.603 8.847 1.00 75.41 C ATOM 1120 C LYS A 510 -12.864 -5.396 9.021 1.00 34.34 C ATOM 1121 O LYS A 510 -13.419 -5.388 10.129 1.00 73.51 O ATOM 1122 CB LYS A 510 -10.690 -6.213 10.074 1.00 53.12 C ATOM 1123 CG LYS A 510 -11.182 -7.623 10.388 1.00 21.04 C ATOM 1124 CD LYS A 510 -10.407 -8.264 11.516 1.00 21.53 C ATOM 1125 CE LYS A 510 -10.890 -9.686 11.764 1.00 53.33 C ATOM 1126 NZ LYS A 510 -10.143 -10.356 12.854 1.00 20.22 N ATOM 0 H LYS A 510 -10.359 -4.506 7.418 1.00 10.12 H new ATOM 0 HA LYS A 510 -11.230 -6.369 8.086 1.00 75.41 H new ATOM 0 HB2 LYS A 510 -9.613 -6.238 9.907 1.00 53.12 H new ATOM 0 HB3 LYS A 510 -10.864 -5.572 10.938 1.00 53.12 H new ATOM 0 HG2 LYS A 510 -12.239 -7.586 10.652 1.00 21.04 H new ATOM 0 HG3 LYS A 510 -11.098 -8.242 9.495 1.00 21.04 H new ATOM 0 HD2 LYS A 510 -9.344 -8.273 11.274 1.00 21.53 H new ATOM 0 HD3 LYS A 510 -10.522 -7.672 12.424 1.00 21.53 H new ATOM 0 HE2 LYS A 510 -11.951 -9.668 12.013 1.00 53.33 H new ATOM 0 HE3 LYS A 510 -10.787 -10.266 10.847 1.00 53.33 H new ATOM 0 HZ1 LYS A 510 -10.509 -11.321 12.984 1.00 20.22 H new ATOM 0 HZ2 LYS A 510 -9.134 -10.399 12.608 1.00 20.22 H new ATOM 0 HZ3 LYS A 510 -10.261 -9.819 13.737 1.00 20.22 H new ATOM 1140 N LYS A 511 -13.463 -5.137 7.908 1.00 61.23 N ATOM 1141 CA LYS A 511 -14.846 -4.880 7.774 1.00 11.43 C ATOM 1142 C LYS A 511 -15.499 -6.066 7.103 1.00 54.22 C ATOM 1143 O LYS A 511 -14.858 -6.756 6.310 1.00 44.22 O ATOM 1144 CB LYS A 511 -15.010 -3.617 6.917 1.00 21.41 C ATOM 1145 CG LYS A 511 -16.440 -3.217 6.546 1.00 31.15 C ATOM 1146 CD LYS A 511 -17.296 -2.886 7.755 1.00 12.14 C ATOM 1147 CE LYS A 511 -18.724 -2.585 7.326 1.00 20.24 C ATOM 1148 NZ LYS A 511 -19.613 -2.327 8.473 1.00 54.52 N ATOM 0 H LYS A 511 -12.965 -5.098 7.019 1.00 61.23 H new ATOM 0 HA LYS A 511 -15.317 -4.726 8.745 1.00 11.43 H new ATOM 0 HB2 LYS A 511 -14.551 -2.783 7.449 1.00 21.41 H new ATOM 0 HB3 LYS A 511 -14.446 -3.756 5.995 1.00 21.41 H new ATOM 0 HG2 LYS A 511 -16.409 -2.353 5.882 1.00 31.15 H new ATOM 0 HG3 LYS A 511 -16.906 -4.030 5.989 1.00 31.15 H new ATOM 0 HD2 LYS A 511 -17.288 -3.722 8.454 1.00 12.14 H new ATOM 0 HD3 LYS A 511 -16.878 -2.027 8.280 1.00 12.14 H new ATOM 0 HE2 LYS A 511 -18.727 -1.718 6.665 1.00 20.24 H new ATOM 0 HE3 LYS A 511 -19.112 -3.425 6.751 1.00 20.24 H new ATOM 0 HZ1 LYS A 511 -20.574 -2.127 8.129 1.00 54.52 H new ATOM 0 HZ2 LYS A 511 -19.633 -3.163 9.091 1.00 54.52 H new ATOM 0 HZ3 LYS A 511 -19.260 -1.509 9.009 1.00 54.52 H new ATOM 1162 N ASN A 512 -16.738 -6.327 7.435 1.00 20.41 N ATOM 1163 CA ASN A 512 -17.464 -7.389 6.779 1.00 21.33 C ATOM 1164 C ASN A 512 -17.914 -6.946 5.419 1.00 25.42 C ATOM 1165 O ASN A 512 -18.655 -5.962 5.277 1.00 0.01 O ATOM 1166 CB ASN A 512 -18.687 -7.877 7.567 1.00 14.14 C ATOM 1167 CG ASN A 512 -18.349 -8.638 8.824 1.00 62.45 C ATOM 1168 OD1 ASN A 512 -18.145 -9.847 8.793 1.00 10.33 O ATOM 1169 ND2 ASN A 512 -18.329 -7.962 9.937 1.00 52.40 N ATOM 0 H ASN A 512 -17.264 -5.824 8.150 1.00 20.41 H new ATOM 0 HA ASN A 512 -16.767 -8.224 6.708 1.00 21.33 H new ATOM 0 HB2 ASN A 512 -19.302 -7.017 7.831 1.00 14.14 H new ATOM 0 HB3 ASN A 512 -19.291 -8.514 6.921 1.00 14.14 H new ATOM 0 HD21 ASN A 512 -18.139 -8.438 10.819 1.00 52.40 H new ATOM 0 HD22 ASN A 512 -18.503 -6.957 9.926 1.00 52.40 H new ATOM 1176 N MET A 513 -17.467 -7.641 4.431 1.00 54.23 N ATOM 1177 CA MET A 513 -17.889 -7.419 3.110 1.00 4.14 C ATOM 1178 C MET A 513 -18.835 -8.526 2.801 1.00 42.21 C ATOM 1179 O MET A 513 -18.443 -9.580 2.285 1.00 43.51 O ATOM 1180 CB MET A 513 -16.717 -7.384 2.118 1.00 61.23 C ATOM 1181 CG MET A 513 -17.123 -7.093 0.674 1.00 50.13 C ATOM 1182 SD MET A 513 -15.713 -6.969 -0.445 1.00 53.32 S ATOM 1183 CE MET A 513 -16.545 -6.582 -1.985 1.00 22.25 C ATOM 0 H MET A 513 -16.784 -8.392 4.531 1.00 54.23 H new ATOM 0 HA MET A 513 -18.364 -6.443 3.013 1.00 4.14 H new ATOM 0 HB2 MET A 513 -16.004 -6.626 2.442 1.00 61.23 H new ATOM 0 HB3 MET A 513 -16.200 -8.343 2.151 1.00 61.23 H new ATOM 0 HG2 MET A 513 -17.789 -7.882 0.324 1.00 50.13 H new ATOM 0 HG3 MET A 513 -17.688 -6.161 0.642 1.00 50.13 H new ATOM 0 HE1 MET A 513 -15.807 -6.473 -2.780 1.00 22.25 H new ATOM 0 HE2 MET A 513 -17.235 -7.387 -2.238 1.00 22.25 H new ATOM 0 HE3 MET A 513 -17.099 -5.650 -1.875 1.00 22.25 H new ATOM 1193 N LYS A 514 -20.055 -8.331 3.281 1.00 1.31 N ATOM 1194 CA LYS A 514 -21.168 -9.243 3.109 1.00 41.35 C ATOM 1195 C LYS A 514 -20.973 -10.545 3.885 1.00 33.44 C ATOM 1196 O LYS A 514 -21.565 -10.739 4.952 1.00 53.21 O ATOM 1197 CB LYS A 514 -21.530 -9.479 1.616 1.00 72.34 C ATOM 1198 CG LYS A 514 -22.075 -8.237 0.873 1.00 4.40 C ATOM 1199 CD LYS A 514 -20.982 -7.199 0.610 1.00 34.51 C ATOM 1200 CE LYS A 514 -21.529 -5.874 0.120 1.00 44.33 C ATOM 1201 NZ LYS A 514 -22.232 -5.977 -1.160 1.00 64.35 N ATOM 0 H LYS A 514 -20.302 -7.501 3.820 1.00 1.31 H new ATOM 0 HA LYS A 514 -22.037 -8.752 3.547 1.00 41.35 H new ATOM 0 HB2 LYS A 514 -20.642 -9.836 1.094 1.00 72.34 H new ATOM 0 HB3 LYS A 514 -22.274 -10.274 1.559 1.00 72.34 H new ATOM 0 HG2 LYS A 514 -22.516 -8.546 -0.074 1.00 4.40 H new ATOM 0 HG3 LYS A 514 -22.872 -7.783 1.462 1.00 4.40 H new ATOM 0 HD2 LYS A 514 -20.416 -7.035 1.527 1.00 34.51 H new ATOM 0 HD3 LYS A 514 -20.284 -7.593 -0.129 1.00 34.51 H new ATOM 0 HE2 LYS A 514 -22.210 -5.470 0.869 1.00 44.33 H new ATOM 0 HE3 LYS A 514 -20.708 -5.164 0.020 1.00 44.33 H new ATOM 0 HZ1 LYS A 514 -22.224 -5.052 -1.636 1.00 64.35 H new ATOM 0 HZ2 LYS A 514 -21.757 -6.680 -1.761 1.00 64.35 H new ATOM 0 HZ3 LYS A 514 -23.215 -6.272 -0.993 1.00 64.35 H new ATOM 1215 N ASP A 515 -20.140 -11.394 3.384 1.00 51.45 N ATOM 1216 CA ASP A 515 -19.872 -12.670 4.010 1.00 51.31 C ATOM 1217 C ASP A 515 -18.516 -12.730 4.697 1.00 43.45 C ATOM 1218 O ASP A 515 -18.353 -13.362 5.757 1.00 51.42 O ATOM 1219 CB ASP A 515 -20.005 -13.809 2.996 1.00 41.33 C ATOM 1220 CG ASP A 515 -19.633 -15.173 3.552 1.00 33.32 C ATOM 1221 OD1 ASP A 515 -18.454 -15.570 3.459 1.00 3.41 O ATOM 1222 OD2 ASP A 515 -20.533 -15.892 4.045 1.00 54.55 O ATOM 0 H ASP A 515 -19.616 -11.233 2.524 1.00 51.45 H new ATOM 0 HA ASP A 515 -20.623 -12.790 4.791 1.00 51.31 H new ATOM 0 HB2 ASP A 515 -21.033 -13.843 2.634 1.00 41.33 H new ATOM 0 HB3 ASP A 515 -19.371 -13.593 2.136 1.00 41.33 H new ATOM 1227 N ARG A 516 -17.594 -12.031 4.165 1.00 41.41 N ATOM 1228 CA ARG A 516 -16.205 -12.186 4.549 1.00 32.42 C ATOM 1229 C ARG A 516 -15.723 -10.965 5.304 1.00 71.54 C ATOM 1230 O ARG A 516 -16.309 -9.919 5.198 1.00 2.25 O ATOM 1231 CB ARG A 516 -15.387 -12.339 3.267 1.00 74.31 C ATOM 1232 CG ARG A 516 -13.902 -12.615 3.446 1.00 4.22 C ATOM 1233 CD ARG A 516 -13.604 -13.994 3.991 1.00 54.41 C ATOM 1234 NE ARG A 516 -12.183 -14.103 4.352 1.00 61.42 N ATOM 1235 CZ ARG A 516 -11.364 -15.124 4.050 1.00 71.42 C ATOM 1236 NH1 ARG A 516 -11.829 -16.207 3.411 1.00 62.24 N ATOM 1237 NH2 ARG A 516 -10.081 -15.066 4.420 1.00 63.22 N ATOM 0 H ARG A 516 -17.757 -11.326 3.446 1.00 41.41 H new ATOM 0 HA ARG A 516 -16.093 -13.056 5.196 1.00 32.42 H new ATOM 0 HB2 ARG A 516 -15.818 -13.151 2.681 1.00 74.31 H new ATOM 0 HB3 ARG A 516 -15.498 -11.428 2.679 1.00 74.31 H new ATOM 0 HG2 ARG A 516 -13.401 -12.497 2.485 1.00 4.22 H new ATOM 0 HG3 ARG A 516 -13.481 -11.868 4.119 1.00 4.22 H new ATOM 0 HD2 ARG A 516 -14.225 -14.189 4.866 1.00 54.41 H new ATOM 0 HD3 ARG A 516 -13.856 -14.749 3.247 1.00 54.41 H new ATOM 0 HE ARG A 516 -11.781 -13.330 4.882 1.00 61.42 H new ATOM 0 HH11 ARG A 516 -12.813 -16.261 3.149 1.00 62.24 H new ATOM 0 HH12 ARG A 516 -11.198 -16.977 3.186 1.00 62.24 H new ATOM 0 HH21 ARG A 516 -9.733 -14.252 4.927 1.00 63.22 H new ATOM 0 HH22 ARG A 516 -9.450 -15.836 4.196 1.00 63.22 H new ATOM 1251 N TYR A 517 -14.691 -11.120 6.078 1.00 41.35 N ATOM 1252 CA TYR A 517 -14.027 -9.993 6.683 1.00 50.14 C ATOM 1253 C TYR A 517 -12.881 -9.645 5.787 1.00 13.43 C ATOM 1254 O TYR A 517 -12.085 -10.522 5.421 1.00 13.42 O ATOM 1255 CB TYR A 517 -13.465 -10.300 8.063 1.00 40.01 C ATOM 1256 CG TYR A 517 -14.465 -10.502 9.185 1.00 52.31 C ATOM 1257 CD1 TYR A 517 -15.145 -11.697 9.346 1.00 22.30 C ATOM 1258 CD2 TYR A 517 -14.682 -9.496 10.119 1.00 40.22 C ATOM 1259 CE1 TYR A 517 -16.014 -11.886 10.392 1.00 54.51 C ATOM 1260 CE2 TYR A 517 -15.559 -9.676 11.170 1.00 44.51 C ATOM 1261 CZ TYR A 517 -16.218 -10.877 11.303 1.00 3.42 C ATOM 1262 OH TYR A 517 -17.084 -11.077 12.360 1.00 14.51 O ATOM 0 H TYR A 517 -14.283 -12.025 6.310 1.00 41.35 H new ATOM 0 HA TYR A 517 -14.751 -9.187 6.803 1.00 50.14 H new ATOM 0 HB2 TYR A 517 -12.854 -11.200 7.987 1.00 40.01 H new ATOM 0 HB3 TYR A 517 -12.798 -9.485 8.346 1.00 40.01 H new ATOM 0 HD1 TYR A 517 -14.989 -12.495 8.636 1.00 22.30 H new ATOM 0 HD2 TYR A 517 -14.156 -8.558 10.021 1.00 40.22 H new ATOM 0 HE1 TYR A 517 -16.536 -12.825 10.499 1.00 54.51 H new ATOM 0 HE2 TYR A 517 -15.727 -8.881 11.882 1.00 44.51 H new ATOM 0 HH TYR A 517 -17.117 -10.269 12.913 1.00 14.51 H new ATOM 1272 N VAL A 518 -12.822 -8.430 5.407 1.00 3.55 N ATOM 1273 CA VAL A 518 -11.799 -7.952 4.544 1.00 44.02 C ATOM 1274 C VAL A 518 -10.940 -6.963 5.306 1.00 73.42 C ATOM 1275 O VAL A 518 -11.445 -5.956 5.827 1.00 72.22 O ATOM 1276 CB VAL A 518 -12.417 -7.251 3.311 1.00 72.53 C ATOM 1277 CG1 VAL A 518 -11.344 -6.720 2.372 1.00 4.21 C ATOM 1278 CG2 VAL A 518 -13.348 -8.189 2.560 1.00 45.34 C ATOM 0 H VAL A 518 -13.495 -7.717 5.689 1.00 3.55 H new ATOM 0 HA VAL A 518 -11.195 -8.793 4.202 1.00 44.02 H new ATOM 0 HB VAL A 518 -12.995 -6.404 3.680 1.00 72.53 H new ATOM 0 HG11 VAL A 518 -11.816 -6.234 1.518 1.00 4.21 H new ATOM 0 HG12 VAL A 518 -10.722 -5.999 2.902 1.00 4.21 H new ATOM 0 HG13 VAL A 518 -10.725 -7.546 2.023 1.00 4.21 H new ATOM 0 HG21 VAL A 518 -13.769 -7.671 1.698 1.00 45.34 H new ATOM 0 HG22 VAL A 518 -12.790 -9.062 2.222 1.00 45.34 H new ATOM 0 HG23 VAL A 518 -14.154 -8.508 3.221 1.00 45.34 H new ATOM 1288 N GLU A 519 -9.679 -7.256 5.417 1.00 32.43 N ATOM 1289 CA GLU A 519 -8.759 -6.368 6.041 1.00 43.45 C ATOM 1290 C GLU A 519 -8.246 -5.423 4.988 1.00 15.41 C ATOM 1291 O GLU A 519 -7.566 -5.831 4.057 1.00 71.33 O ATOM 1292 CB GLU A 519 -7.570 -7.089 6.707 1.00 41.14 C ATOM 1293 CG GLU A 519 -7.906 -8.062 7.836 1.00 75.20 C ATOM 1294 CD GLU A 519 -8.419 -9.402 7.365 1.00 61.42 C ATOM 1295 OE1 GLU A 519 -9.619 -9.652 7.429 1.00 42.51 O ATOM 1296 OE2 GLU A 519 -7.594 -10.250 6.965 1.00 45.54 O ATOM 0 H GLU A 519 -9.263 -8.122 5.074 1.00 32.43 H new ATOM 0 HA GLU A 519 -9.285 -5.844 6.839 1.00 43.45 H new ATOM 0 HB2 GLU A 519 -7.028 -7.636 5.936 1.00 41.14 H new ATOM 0 HB3 GLU A 519 -6.890 -6.333 7.100 1.00 41.14 H new ATOM 0 HG2 GLU A 519 -7.014 -8.220 8.442 1.00 75.20 H new ATOM 0 HG3 GLU A 519 -8.655 -7.606 8.483 1.00 75.20 H new ATOM 1303 N VAL A 520 -8.596 -4.184 5.103 1.00 35.22 N ATOM 1304 CA VAL A 520 -8.174 -3.207 4.148 1.00 31.02 C ATOM 1305 C VAL A 520 -7.047 -2.359 4.733 1.00 53.32 C ATOM 1306 O VAL A 520 -7.136 -1.889 5.875 1.00 0.42 O ATOM 1307 CB VAL A 520 -9.381 -2.337 3.736 1.00 43.00 C ATOM 1308 CG1 VAL A 520 -8.984 -1.235 2.807 1.00 33.24 C ATOM 1309 CG2 VAL A 520 -10.444 -3.207 3.084 1.00 51.15 C ATOM 0 H VAL A 520 -9.179 -3.820 5.856 1.00 35.22 H new ATOM 0 HA VAL A 520 -7.789 -3.702 3.257 1.00 31.02 H new ATOM 0 HB VAL A 520 -9.783 -1.877 4.639 1.00 43.00 H new ATOM 0 HG11 VAL A 520 -9.863 -0.648 2.542 1.00 33.24 H new ATOM 0 HG12 VAL A 520 -8.252 -0.592 3.296 1.00 33.24 H new ATOM 0 HG13 VAL A 520 -8.547 -1.660 1.904 1.00 33.24 H new ATOM 0 HG21 VAL A 520 -11.294 -2.588 2.795 1.00 51.15 H new ATOM 0 HG22 VAL A 520 -10.028 -3.688 2.199 1.00 51.15 H new ATOM 0 HG23 VAL A 520 -10.774 -3.969 3.790 1.00 51.15 H new ATOM 1319 N PHE A 521 -5.974 -2.233 3.975 1.00 53.40 N ATOM 1320 CA PHE A 521 -4.789 -1.504 4.394 1.00 25.22 C ATOM 1321 C PHE A 521 -4.494 -0.406 3.386 1.00 43.34 C ATOM 1322 O PHE A 521 -4.661 -0.611 2.189 1.00 74.20 O ATOM 1323 CB PHE A 521 -3.571 -2.445 4.425 1.00 31.32 C ATOM 1324 CG PHE A 521 -3.751 -3.710 5.222 1.00 32.05 C ATOM 1325 CD1 PHE A 521 -3.601 -3.712 6.596 1.00 31.42 C ATOM 1326 CD2 PHE A 521 -4.058 -4.905 4.584 1.00 4.13 C ATOM 1327 CE1 PHE A 521 -3.753 -4.878 7.321 1.00 32.34 C ATOM 1328 CE2 PHE A 521 -4.213 -6.070 5.304 1.00 33.35 C ATOM 1329 CZ PHE A 521 -4.060 -6.056 6.675 1.00 44.35 C ATOM 0 H PHE A 521 -5.899 -2.637 3.042 1.00 53.40 H new ATOM 0 HA PHE A 521 -4.970 -1.089 5.385 1.00 25.22 H new ATOM 0 HB2 PHE A 521 -3.316 -2.715 3.400 1.00 31.32 H new ATOM 0 HB3 PHE A 521 -2.721 -1.898 4.832 1.00 31.32 H new ATOM 0 HD1 PHE A 521 -3.362 -2.792 7.108 1.00 31.42 H new ATOM 0 HD2 PHE A 521 -4.177 -4.921 3.511 1.00 4.13 H new ATOM 0 HE1 PHE A 521 -3.631 -4.866 8.394 1.00 32.34 H new ATOM 0 HE2 PHE A 521 -4.454 -6.992 4.796 1.00 33.35 H new ATOM 0 HZ PHE A 521 -4.181 -6.967 7.242 1.00 44.35 H new ATOM 1339 N GLN A 522 -4.056 0.738 3.853 1.00 32.22 N ATOM 1340 CA GLN A 522 -3.670 1.819 2.957 1.00 13.55 C ATOM 1341 C GLN A 522 -2.198 1.627 2.590 1.00 4.50 C ATOM 1342 O GLN A 522 -1.454 1.007 3.350 1.00 63.35 O ATOM 1343 CB GLN A 522 -3.846 3.175 3.636 1.00 62.13 C ATOM 1344 CG GLN A 522 -3.524 4.343 2.721 1.00 20.32 C ATOM 1345 CD GLN A 522 -3.343 5.625 3.458 1.00 21.02 C ATOM 1346 OE1 GLN A 522 -2.931 5.636 4.612 1.00 21.15 O ATOM 1347 NE2 GLN A 522 -3.558 6.702 2.798 1.00 12.43 N ATOM 0 H GLN A 522 -3.955 0.952 4.845 1.00 32.22 H new ATOM 0 HA GLN A 522 -4.301 1.797 2.068 1.00 13.55 H new ATOM 0 HB2 GLN A 522 -4.874 3.268 3.987 1.00 62.13 H new ATOM 0 HB3 GLN A 522 -3.203 3.221 4.515 1.00 62.13 H new ATOM 0 HG2 GLN A 522 -2.615 4.120 2.162 1.00 20.32 H new ATOM 0 HG3 GLN A 522 -4.326 4.459 1.992 1.00 20.32 H new ATOM 0 HE21 GLN A 522 -3.901 6.652 1.839 1.00 12.43 H new ATOM 0 HE22 GLN A 522 -3.386 7.609 3.232 1.00 12.43 H new ATOM 1356 N CYS A 523 -1.777 2.153 1.466 1.00 15.45 N ATOM 1357 CA CYS A 523 -0.419 1.996 1.030 1.00 44.25 C ATOM 1358 C CYS A 523 -0.070 3.015 -0.016 1.00 41.30 C ATOM 1359 O CYS A 523 -0.937 3.770 -0.506 1.00 13.13 O ATOM 1360 CB CYS A 523 -0.186 0.584 0.490 1.00 33.14 C ATOM 1361 SG CYS A 523 -1.404 0.049 -0.732 1.00 74.11 S ATOM 0 H CYS A 523 -2.364 2.698 0.834 1.00 15.45 H new ATOM 0 HA CYS A 523 0.230 2.152 1.892 1.00 44.25 H new ATOM 0 HB2 CYS A 523 0.806 0.538 0.042 1.00 33.14 H new ATOM 0 HB3 CYS A 523 -0.192 -0.118 1.324 1.00 33.14 H new ATOM 0 HG CYS A 523 -2.422 0.857 -0.712 1.00 74.11 H new ATOM 1367 N SER A 524 1.171 3.057 -0.343 1.00 12.23 N ATOM 1368 CA SER A 524 1.637 3.940 -1.348 1.00 15.45 C ATOM 1369 C SER A 524 1.627 3.252 -2.690 1.00 72.44 C ATOM 1370 O SER A 524 1.676 2.012 -2.770 1.00 0.04 O ATOM 1371 CB SER A 524 3.031 4.451 -0.994 1.00 50.00 C ATOM 1372 OG SER A 524 3.940 3.377 -0.791 1.00 43.32 O ATOM 0 H SER A 524 1.895 2.477 0.081 1.00 12.23 H new ATOM 0 HA SER A 524 0.970 4.800 -1.407 1.00 15.45 H new ATOM 0 HB2 SER A 524 3.398 5.095 -1.793 1.00 50.00 H new ATOM 0 HB3 SER A 524 2.979 5.061 -0.092 1.00 50.00 H new ATOM 0 HG SER A 524 3.680 2.875 0.010 1.00 43.32 H new ATOM 1378 N ALA A 525 1.541 4.048 -3.727 1.00 4.23 N ATOM 1379 CA ALA A 525 1.596 3.571 -5.109 1.00 23.23 C ATOM 1380 C ALA A 525 2.876 2.759 -5.373 1.00 52.32 C ATOM 1381 O ALA A 525 2.897 1.862 -6.216 1.00 71.54 O ATOM 1382 CB ALA A 525 1.504 4.744 -6.055 1.00 1.35 C ATOM 0 H ALA A 525 1.429 5.059 -3.647 1.00 4.23 H new ATOM 0 HA ALA A 525 0.749 2.906 -5.278 1.00 23.23 H new ATOM 0 HB1 ALA A 525 1.545 4.386 -7.084 1.00 1.35 H new ATOM 0 HB2 ALA A 525 0.564 5.270 -5.891 1.00 1.35 H new ATOM 0 HB3 ALA A 525 2.337 5.424 -5.874 1.00 1.35 H new ATOM 1388 N GLU A 526 3.921 3.076 -4.619 1.00 3.25 N ATOM 1389 CA GLU A 526 5.193 2.371 -4.670 1.00 5.11 C ATOM 1390 C GLU A 526 4.973 0.910 -4.279 1.00 35.04 C ATOM 1391 O GLU A 526 5.330 -0.009 -5.019 1.00 31.43 O ATOM 1392 CB GLU A 526 6.164 3.049 -3.689 1.00 11.42 C ATOM 1393 CG GLU A 526 7.549 2.430 -3.603 1.00 15.35 C ATOM 1394 CD GLU A 526 8.338 2.569 -4.868 1.00 50.23 C ATOM 1395 OE1 GLU A 526 9.060 3.572 -5.017 1.00 11.31 O ATOM 1396 OE2 GLU A 526 8.293 1.667 -5.708 1.00 55.24 O ATOM 0 H GLU A 526 3.907 3.842 -3.945 1.00 3.25 H new ATOM 0 HA GLU A 526 5.612 2.404 -5.676 1.00 5.11 H new ATOM 0 HB2 GLU A 526 6.270 4.095 -3.976 1.00 11.42 H new ATOM 0 HB3 GLU A 526 5.717 3.035 -2.695 1.00 11.42 H new ATOM 0 HG2 GLU A 526 8.099 2.898 -2.786 1.00 15.35 H new ATOM 0 HG3 GLU A 526 7.452 1.372 -3.357 1.00 15.35 H new ATOM 1403 N GLU A 527 4.329 0.720 -3.141 1.00 54.44 N ATOM 1404 CA GLU A 527 4.019 -0.601 -2.621 1.00 63.30 C ATOM 1405 C GLU A 527 3.076 -1.318 -3.565 1.00 4.42 C ATOM 1406 O GLU A 527 3.200 -2.518 -3.789 1.00 11.30 O ATOM 1407 CB GLU A 527 3.391 -0.480 -1.244 1.00 31.51 C ATOM 1408 CG GLU A 527 4.294 0.177 -0.221 1.00 43.35 C ATOM 1409 CD GLU A 527 3.572 0.515 1.048 1.00 34.11 C ATOM 1410 OE1 GLU A 527 3.469 -0.352 1.944 1.00 14.13 O ATOM 1411 OE2 GLU A 527 3.085 1.680 1.175 1.00 74.23 O ATOM 0 H GLU A 527 4.004 1.483 -2.547 1.00 54.44 H new ATOM 0 HA GLU A 527 4.940 -1.178 -2.538 1.00 63.30 H new ATOM 0 HB2 GLU A 527 2.468 0.095 -1.324 1.00 31.51 H new ATOM 0 HB3 GLU A 527 3.118 -1.474 -0.890 1.00 31.51 H new ATOM 0 HG2 GLU A 527 5.127 -0.489 0.005 1.00 43.35 H new ATOM 0 HG3 GLU A 527 4.719 1.086 -0.647 1.00 43.35 H new ATOM 1418 N MET A 528 2.157 -0.565 -4.136 1.00 74.21 N ATOM 1419 CA MET A 528 1.211 -1.102 -5.090 1.00 53.15 C ATOM 1420 C MET A 528 1.927 -1.654 -6.308 1.00 24.21 C ATOM 1421 O MET A 528 1.669 -2.787 -6.722 1.00 42.35 O ATOM 1422 CB MET A 528 0.193 -0.041 -5.519 1.00 32.33 C ATOM 1423 CG MET A 528 -0.814 -0.534 -6.551 1.00 2.00 C ATOM 1424 SD MET A 528 -1.932 0.762 -7.103 1.00 65.43 S ATOM 1425 CE MET A 528 -2.968 -0.149 -8.234 1.00 73.52 C ATOM 0 H MET A 528 2.046 0.432 -3.952 1.00 74.21 H new ATOM 0 HA MET A 528 0.676 -1.914 -4.598 1.00 53.15 H new ATOM 0 HB2 MET A 528 -0.346 0.309 -4.638 1.00 32.33 H new ATOM 0 HB3 MET A 528 0.727 0.817 -5.928 1.00 32.33 H new ATOM 0 HG2 MET A 528 -0.279 -0.937 -7.411 1.00 2.00 H new ATOM 0 HG3 MET A 528 -1.395 -1.352 -6.124 1.00 2.00 H new ATOM 0 HE1 MET A 528 -2.851 0.254 -9.240 1.00 73.52 H new ATOM 0 HE2 MET A 528 -2.677 -1.200 -8.228 1.00 73.52 H new ATOM 0 HE3 MET A 528 -4.010 -0.059 -7.926 1.00 73.52 H new ATOM 1435 N ASN A 529 2.865 -0.893 -6.846 1.00 2.13 N ATOM 1436 CA ASN A 529 3.543 -1.325 -8.048 1.00 53.11 C ATOM 1437 C ASN A 529 4.507 -2.450 -7.714 1.00 1.55 C ATOM 1438 O ASN A 529 4.759 -3.331 -8.524 1.00 12.21 O ATOM 1439 CB ASN A 529 4.254 -0.163 -8.756 1.00 70.30 C ATOM 1440 CG ASN A 529 4.728 -0.537 -10.162 1.00 73.32 C ATOM 1441 OD1 ASN A 529 3.973 -0.412 -11.132 1.00 42.32 O ATOM 1442 ND2 ASN A 529 5.958 -0.965 -10.290 1.00 41.22 N ATOM 0 H ASN A 529 3.167 0.008 -6.476 1.00 2.13 H new ATOM 0 HA ASN A 529 2.796 -1.699 -8.748 1.00 53.11 H new ATOM 0 HB2 ASN A 529 3.577 0.689 -8.819 1.00 70.30 H new ATOM 0 HB3 ASN A 529 5.110 0.153 -8.159 1.00 70.30 H new ATOM 0 HD21 ASN A 529 6.320 -1.207 -11.212 1.00 41.22 H new ATOM 0 HD22 ASN A 529 6.554 -1.056 -9.468 1.00 41.22 H new ATOM 1449 N PHE A 530 5.006 -2.434 -6.490 1.00 20.53 N ATOM 1450 CA PHE A 530 5.883 -3.472 -5.984 1.00 0.34 C ATOM 1451 C PHE A 530 5.158 -4.810 -5.964 1.00 72.42 C ATOM 1452 O PHE A 530 5.677 -5.815 -6.476 1.00 14.43 O ATOM 1453 CB PHE A 530 6.391 -3.098 -4.581 1.00 54.13 C ATOM 1454 CG PHE A 530 7.314 -4.107 -3.940 1.00 1.53 C ATOM 1455 CD1 PHE A 530 8.625 -4.240 -4.367 1.00 2.24 C ATOM 1456 CD2 PHE A 530 6.872 -4.901 -2.891 1.00 62.32 C ATOM 1457 CE1 PHE A 530 9.475 -5.144 -3.766 1.00 54.14 C ATOM 1458 CE2 PHE A 530 7.719 -5.811 -2.290 1.00 42.15 C ATOM 1459 CZ PHE A 530 9.022 -5.931 -2.724 1.00 51.42 C ATOM 0 H PHE A 530 4.812 -1.694 -5.815 1.00 20.53 H new ATOM 0 HA PHE A 530 6.745 -3.564 -6.645 1.00 0.34 H new ATOM 0 HB2 PHE A 530 6.911 -2.142 -4.644 1.00 54.13 H new ATOM 0 HB3 PHE A 530 5.531 -2.951 -3.928 1.00 54.13 H new ATOM 0 HD1 PHE A 530 8.986 -3.628 -5.181 1.00 2.24 H new ATOM 0 HD2 PHE A 530 5.855 -4.806 -2.541 1.00 62.32 H new ATOM 0 HE1 PHE A 530 10.495 -5.237 -4.109 1.00 54.14 H new ATOM 0 HE2 PHE A 530 7.361 -6.429 -1.480 1.00 42.15 H new ATOM 0 HZ PHE A 530 9.687 -6.638 -2.251 1.00 51.42 H new ATOM 1469 N VAL A 531 3.940 -4.817 -5.428 1.00 75.14 N ATOM 1470 CA VAL A 531 3.168 -6.040 -5.356 1.00 34.21 C ATOM 1471 C VAL A 531 2.723 -6.470 -6.757 1.00 0.13 C ATOM 1472 O VAL A 531 2.703 -7.654 -7.069 1.00 52.34 O ATOM 1473 CB VAL A 531 1.951 -5.927 -4.386 1.00 14.33 C ATOM 1474 CG1 VAL A 531 1.161 -7.235 -4.327 1.00 2.55 C ATOM 1475 CG2 VAL A 531 2.415 -5.543 -2.986 1.00 65.14 C ATOM 0 H VAL A 531 3.476 -3.995 -5.042 1.00 75.14 H new ATOM 0 HA VAL A 531 3.818 -6.810 -4.941 1.00 34.21 H new ATOM 0 HB VAL A 531 1.296 -5.147 -4.773 1.00 14.33 H new ATOM 0 HG11 VAL A 531 0.320 -7.122 -3.642 1.00 2.55 H new ATOM 0 HG12 VAL A 531 0.789 -7.480 -5.322 1.00 2.55 H new ATOM 0 HG13 VAL A 531 1.810 -8.037 -3.975 1.00 2.55 H new ATOM 0 HG21 VAL A 531 1.552 -5.469 -2.324 1.00 65.14 H new ATOM 0 HG22 VAL A 531 3.098 -6.303 -2.608 1.00 65.14 H new ATOM 0 HG23 VAL A 531 2.927 -4.581 -3.023 1.00 65.14 H new ATOM 1485 N LEU A 532 2.435 -5.504 -7.620 1.00 41.44 N ATOM 1486 CA LEU A 532 2.042 -5.812 -8.995 1.00 30.24 C ATOM 1487 C LEU A 532 3.209 -6.418 -9.779 1.00 22.23 C ATOM 1488 O LEU A 532 3.012 -7.257 -10.659 1.00 50.44 O ATOM 1489 CB LEU A 532 1.488 -4.577 -9.725 1.00 63.35 C ATOM 1490 CG LEU A 532 0.190 -3.974 -9.165 1.00 22.43 C ATOM 1491 CD1 LEU A 532 -0.213 -2.749 -9.967 1.00 71.13 C ATOM 1492 CD2 LEU A 532 -0.938 -5.001 -9.162 1.00 42.02 C ATOM 0 H LEU A 532 2.465 -4.509 -7.398 1.00 41.44 H new ATOM 0 HA LEU A 532 1.241 -6.549 -8.939 1.00 30.24 H new ATOM 0 HB2 LEU A 532 2.255 -3.803 -9.716 1.00 63.35 H new ATOM 0 HB3 LEU A 532 1.318 -4.845 -10.768 1.00 63.35 H new ATOM 0 HG LEU A 532 0.376 -3.674 -8.134 1.00 22.43 H new ATOM 0 HD11 LEU A 532 -1.134 -2.333 -9.558 1.00 71.13 H new ATOM 0 HD12 LEU A 532 0.578 -2.001 -9.912 1.00 71.13 H new ATOM 0 HD13 LEU A 532 -0.373 -3.032 -11.007 1.00 71.13 H new ATOM 0 HD21 LEU A 532 -1.843 -4.546 -8.761 1.00 42.02 H new ATOM 0 HD22 LEU A 532 -1.124 -5.341 -10.181 1.00 42.02 H new ATOM 0 HD23 LEU A 532 -0.654 -5.852 -8.542 1.00 42.02 H new