USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 398 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.1) USER MOD Single : A 399 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0235) USER MOD Single : A 406 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.034) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.069) USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 423 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.4) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl -125:sc= -0.233 (180deg=-3.51!) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 433 SER OG : rot 4:sc= 0.363 USER MOD Single : A 435 LYS NZ :NH3+ -154:sc= -0.76 (180deg=-1.85!) USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 453 TYR OH : rot 64:sc= -0.0026 USER MOD Single : A 455 ASN : amide:sc= -1.72! C(o=-1.7!,f=-6.5!) USER MOD Single : A 458 SER OG : rot 102:sc= 0.866 USER MOD Single : A 460 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.2!) USER MOD Single : A 464 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.62) USER MOD Single : A 466 MET CE :methyl -172:sc= 0 (180deg=-0.0535) USER MOD Single : A 467 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 470 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= -0.0787 K(o=-0.079,f=-2.7!) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 -2.383 -7.415 7.580 1.00 70.54 N ATOM 57 CA GLN A 398 -1.690 -7.027 6.347 1.00 3.24 C ATOM 58 C GLN A 398 -0.655 -8.102 6.009 1.00 14.43 C ATOM 59 O GLN A 398 0.234 -8.384 6.825 1.00 11.32 O ATOM 60 CB GLN A 398 -0.965 -5.644 6.463 1.00 73.34 C ATOM 61 CG GLN A 398 -1.759 -4.455 7.079 1.00 51.13 C ATOM 62 CD GLN A 398 -1.911 -4.469 8.614 1.00 33.11 C ATOM 63 OE1 GLN A 398 -1.034 -3.983 9.324 1.00 31.51 O ATOM 64 NE2 GLN A 398 -3.072 -4.920 9.119 1.00 12.12 N ATOM 0 HA GLN A 398 -2.443 -6.932 5.564 1.00 3.24 H new ATOM 0 HB2 GLN A 398 -0.063 -5.788 7.058 1.00 73.34 H new ATOM 0 HB3 GLN A 398 -0.644 -5.350 5.464 1.00 73.34 H new ATOM 0 HG2 GLN A 398 -1.267 -3.526 6.791 1.00 51.13 H new ATOM 0 HG3 GLN A 398 -2.754 -4.439 6.635 1.00 51.13 H new ATOM 0 HE21 GLN A 398 -3.778 -5.318 8.499 1.00 12.12 H new ATOM 0 HE22 GLN A 398 -3.247 -4.865 10.122 1.00 12.12 H new ATOM 73 N LYS A 399 -0.773 -8.727 4.828 1.00 72.14 N ATOM 74 CA LYS A 399 0.124 -9.824 4.480 1.00 25.12 C ATOM 75 C LYS A 399 1.333 -9.193 3.793 1.00 33.35 C ATOM 76 O LYS A 399 1.216 -8.634 2.694 1.00 2.35 O ATOM 77 CB LYS A 399 -0.563 -10.899 3.536 1.00 53.31 C ATOM 78 CG LYS A 399 -2.078 -11.248 3.796 1.00 44.44 C ATOM 79 CD LYS A 399 -2.642 -12.379 2.875 1.00 74.50 C ATOM 80 CE LYS A 399 -1.876 -13.700 3.009 1.00 50.34 C ATOM 81 NZ LYS A 399 -2.478 -14.768 2.164 1.00 31.33 N ATOM 0 H LYS A 399 -1.466 -8.494 4.116 1.00 72.14 H new ATOM 0 HA LYS A 399 0.410 -10.368 5.380 1.00 25.12 H new ATOM 0 HB2 LYS A 399 -0.472 -10.548 2.508 1.00 53.31 H new ATOM 0 HB3 LYS A 399 0.010 -11.823 3.609 1.00 53.31 H new ATOM 0 HG2 LYS A 399 -2.196 -11.549 4.837 1.00 44.44 H new ATOM 0 HG3 LYS A 399 -2.676 -10.348 3.655 1.00 44.44 H new ATOM 0 HD2 LYS A 399 -3.691 -12.548 3.118 1.00 74.50 H new ATOM 0 HD3 LYS A 399 -2.604 -12.047 1.837 1.00 74.50 H new ATOM 0 HE2 LYS A 399 -0.836 -13.549 2.721 1.00 50.34 H new ATOM 0 HE3 LYS A 399 -1.875 -14.017 4.052 1.00 50.34 H new ATOM 0 HZ1 LYS A 399 -1.845 -15.593 2.144 1.00 31.33 H new ATOM 0 HZ2 LYS A 399 -3.398 -15.047 2.560 1.00 31.33 H new ATOM 0 HZ3 LYS A 399 -2.612 -14.411 1.196 1.00 31.33 H new ATOM 95 N GLU A 400 2.497 -9.267 4.462 1.00 63.11 N ATOM 96 CA GLU A 400 3.742 -8.704 3.904 1.00 51.52 C ATOM 97 C GLU A 400 4.528 -9.841 3.228 1.00 3.12 C ATOM 98 O GLU A 400 4.240 -11.005 3.548 1.00 61.11 O ATOM 99 CB GLU A 400 4.581 -7.907 4.992 1.00 22.42 C ATOM 100 CG GLU A 400 4.909 -8.618 6.344 1.00 4.34 C ATOM 101 CD GLU A 400 5.918 -7.828 7.179 1.00 14.30 C ATOM 102 OE1 GLU A 400 7.107 -7.750 6.783 1.00 55.02 O ATOM 103 OE2 GLU A 400 5.531 -7.309 8.246 1.00 23.22 O ATOM 0 H GLU A 400 2.603 -9.704 5.377 1.00 63.11 H new ATOM 0 HA GLU A 400 3.505 -7.955 3.149 1.00 51.52 H new ATOM 0 HB2 GLU A 400 5.525 -7.613 4.534 1.00 22.42 H new ATOM 0 HB3 GLU A 400 4.040 -6.989 5.222 1.00 22.42 H new ATOM 0 HG2 GLU A 400 3.990 -8.750 6.916 1.00 4.34 H new ATOM 0 HG3 GLU A 400 5.306 -9.613 6.143 1.00 4.34 H new ATOM 110 N GLY A 401 5.385 -9.536 2.190 1.00 30.33 N ATOM 111 CA GLY A 401 6.349 -10.491 1.651 1.00 44.12 C ATOM 112 C GLY A 401 6.933 -11.525 2.630 1.00 51.33 C ATOM 113 O GLY A 401 7.361 -11.161 3.737 1.00 61.33 O ATOM 0 H GLY A 401 5.405 -8.626 1.729 1.00 30.33 H new ATOM 0 HA2 GLY A 401 5.870 -11.031 0.834 1.00 44.12 H new ATOM 0 HA3 GLY A 401 7.177 -9.929 1.219 1.00 44.12 H new ATOM 117 N PRO A 402 6.981 -12.847 2.255 1.00 51.35 N ATOM 118 CA PRO A 402 7.497 -13.899 3.122 1.00 13.13 C ATOM 119 C PRO A 402 9.026 -13.950 3.095 1.00 42.43 C ATOM 120 O PRO A 402 9.670 -13.023 2.578 1.00 42.54 O ATOM 121 CB PRO A 402 6.886 -15.172 2.531 1.00 10.15 C ATOM 122 CG PRO A 402 6.974 -14.925 1.079 1.00 45.14 C ATOM 123 CD PRO A 402 6.606 -13.464 0.931 1.00 73.01 C ATOM 0 HA PRO A 402 7.239 -13.749 4.170 1.00 13.13 H new ATOM 0 HB2 PRO A 402 7.441 -16.063 2.825 1.00 10.15 H new ATOM 0 HB3 PRO A 402 5.856 -15.316 2.856 1.00 10.15 H new ATOM 0 HG2 PRO A 402 7.977 -15.124 0.701 1.00 45.14 H new ATOM 0 HG3 PRO A 402 6.290 -15.567 0.523 1.00 45.14 H new ATOM 0 HD2 PRO A 402 7.149 -12.999 0.108 1.00 73.01 H new ATOM 0 HD3 PRO A 402 5.543 -13.341 0.722 1.00 73.01 H new ATOM 131 N GLU A 403 9.560 -14.971 3.773 1.00 31.02 N ATOM 132 CA GLU A 403 10.989 -15.349 3.765 1.00 72.13 C ATOM 133 C GLU A 403 11.771 -14.946 2.430 1.00 22.34 C ATOM 134 O GLU A 403 11.580 -15.594 1.393 1.00 70.32 O ATOM 135 CB GLU A 403 10.885 -16.905 3.849 1.00 65.24 C ATOM 136 CG GLU A 403 11.365 -17.448 5.160 1.00 71.31 C ATOM 137 CD GLU A 403 10.877 -18.854 5.426 1.00 15.44 C ATOM 138 OE1 GLU A 403 9.772 -18.999 5.988 1.00 45.31 O ATOM 139 OE2 GLU A 403 11.591 -19.811 5.063 1.00 60.41 O ATOM 0 H GLU A 403 8.996 -15.581 4.364 1.00 31.02 H new ATOM 0 HA GLU A 403 11.545 -14.850 4.558 1.00 72.13 H new ATOM 0 HB2 GLU A 403 9.848 -17.204 3.694 1.00 65.24 H new ATOM 0 HB3 GLU A 403 11.468 -17.348 3.042 1.00 65.24 H new ATOM 0 HG2 GLU A 403 12.455 -17.438 5.175 1.00 71.31 H new ATOM 0 HG3 GLU A 403 11.029 -16.793 5.964 1.00 71.31 H new ATOM 146 N GLY A 404 12.625 -13.835 2.438 1.00 72.51 N ATOM 147 CA GLY A 404 13.583 -13.579 1.347 1.00 61.43 C ATOM 148 C GLY A 404 13.091 -12.653 0.267 1.00 54.22 C ATOM 149 O GLY A 404 13.914 -11.962 -0.353 1.00 22.35 O ATOM 0 H GLY A 404 12.644 -13.139 3.184 1.00 72.51 H new ATOM 0 HA2 GLY A 404 14.494 -13.160 1.775 1.00 61.43 H new ATOM 0 HA3 GLY A 404 13.854 -14.532 0.891 1.00 61.43 H new ATOM 153 N ALA A 405 11.789 -12.591 0.001 1.00 71.25 N ATOM 154 CA ALA A 405 11.357 -11.599 -0.978 1.00 5.12 C ATOM 155 C ALA A 405 10.448 -10.584 -0.352 1.00 1.24 C ATOM 156 O ALA A 405 9.418 -10.892 0.241 1.00 61.23 O ATOM 157 CB ALA A 405 10.768 -12.210 -2.233 1.00 73.14 C ATOM 0 H ALA A 405 11.060 -13.171 0.416 1.00 71.25 H new ATOM 0 HA ALA A 405 12.254 -11.078 -1.312 1.00 5.12 H new ATOM 0 HB1 ALA A 405 10.468 -11.417 -2.918 1.00 73.14 H new ATOM 0 HB2 ALA A 405 11.514 -12.842 -2.715 1.00 73.14 H new ATOM 0 HB3 ALA A 405 9.898 -12.812 -1.971 1.00 73.14 H new ATOM 163 N ASN A 406 10.885 -9.356 -0.532 1.00 20.42 N ATOM 164 CA ASN A 406 10.413 -8.214 0.269 1.00 0.13 C ATOM 165 C ASN A 406 10.331 -6.935 -0.600 1.00 63.55 C ATOM 166 O ASN A 406 11.391 -6.438 -0.983 1.00 71.34 O ATOM 167 CB ASN A 406 11.352 -8.014 1.498 1.00 55.40 C ATOM 168 CG ASN A 406 11.261 -9.125 2.537 1.00 11.44 C ATOM 169 OD1 ASN A 406 12.050 -10.069 2.533 1.00 54.20 O ATOM 170 ND2 ASN A 406 10.296 -9.000 3.441 1.00 4.24 N ATOM 0 H ASN A 406 11.579 -9.106 -1.236 1.00 20.42 H new ATOM 0 HA ASN A 406 9.408 -8.421 0.636 1.00 0.13 H new ATOM 0 HB2 ASN A 406 12.382 -7.942 1.147 1.00 55.40 H new ATOM 0 HB3 ASN A 406 11.111 -7.064 1.975 1.00 55.40 H new ATOM 0 HD21 ASN A 406 10.187 -9.704 4.171 1.00 4.24 H new ATOM 0 HD22 ASN A 406 9.664 -8.200 3.405 1.00 4.24 H new ATOM 177 N LEU A 407 9.142 -6.374 -0.956 1.00 34.04 N ATOM 178 CA LEU A 407 9.158 -5.309 -1.968 1.00 44.14 C ATOM 179 C LEU A 407 8.500 -4.021 -1.332 1.00 3.21 C ATOM 180 O LEU A 407 7.300 -4.044 -1.107 1.00 45.04 O ATOM 181 CB LEU A 407 8.398 -5.886 -3.268 1.00 70.54 C ATOM 182 CG LEU A 407 8.978 -7.158 -3.997 1.00 34.21 C ATOM 183 CD1 LEU A 407 8.690 -8.457 -3.239 1.00 13.21 C ATOM 184 CD2 LEU A 407 8.334 -7.294 -5.367 1.00 20.52 C ATOM 0 H LEU A 407 8.227 -6.626 -0.582 1.00 34.04 H new ATOM 0 HA LEU A 407 10.157 -5.011 -2.285 1.00 44.14 H new ATOM 0 HB2 LEU A 407 7.374 -6.115 -2.974 1.00 70.54 H new ATOM 0 HB3 LEU A 407 8.347 -5.082 -4.002 1.00 70.54 H new ATOM 0 HG LEU A 407 10.057 -7.014 -4.059 1.00 34.21 H new ATOM 0 HD11 LEU A 407 9.112 -9.299 -3.787 1.00 13.21 H new ATOM 0 HD12 LEU A 407 9.140 -8.407 -2.247 1.00 13.21 H new ATOM 0 HD13 LEU A 407 7.613 -8.591 -3.142 1.00 13.21 H new ATOM 0 HD21 LEU A 407 8.735 -8.173 -5.872 1.00 20.52 H new ATOM 0 HD22 LEU A 407 7.255 -7.401 -5.253 1.00 20.52 H new ATOM 0 HD23 LEU A 407 8.550 -6.405 -5.960 1.00 20.52 H new ATOM 196 N PHE A 408 9.255 -2.885 -0.987 1.00 71.14 N ATOM 197 CA PHE A 408 8.528 -1.698 -0.423 1.00 73.45 C ATOM 198 C PHE A 408 8.356 -0.575 -1.469 1.00 61.45 C ATOM 199 O PHE A 408 9.314 0.134 -1.733 1.00 63.40 O ATOM 200 CB PHE A 408 9.226 -1.111 0.849 1.00 63.50 C ATOM 201 CG PHE A 408 9.139 -1.958 2.077 1.00 22.15 C ATOM 202 CD1 PHE A 408 9.850 -3.138 2.172 1.00 35.22 C ATOM 203 CD2 PHE A 408 8.335 -1.577 3.138 1.00 22.34 C ATOM 204 CE1 PHE A 408 9.754 -3.926 3.291 1.00 31.13 C ATOM 205 CE2 PHE A 408 8.235 -2.360 4.254 1.00 61.42 C ATOM 206 CZ PHE A 408 8.942 -3.543 4.330 1.00 2.23 C ATOM 0 H PHE A 408 10.266 -2.788 -1.085 1.00 71.14 H new ATOM 0 HA PHE A 408 7.546 -2.072 -0.135 1.00 73.45 H new ATOM 0 HB2 PHE A 408 10.278 -0.941 0.619 1.00 63.50 H new ATOM 0 HB3 PHE A 408 8.786 -0.138 1.068 1.00 63.50 H new ATOM 0 HD1 PHE A 408 10.489 -3.444 1.357 1.00 35.22 H new ATOM 0 HD2 PHE A 408 7.781 -0.651 3.083 1.00 22.34 H new ATOM 0 HE1 PHE A 408 10.316 -4.846 3.355 1.00 31.13 H new ATOM 0 HE2 PHE A 408 7.604 -2.053 5.075 1.00 61.42 H new ATOM 0 HZ PHE A 408 8.857 -4.168 5.207 1.00 2.23 H new ATOM 216 N ILE A 409 7.114 -0.329 -1.999 1.00 12.44 N ATOM 217 CA ILE A 409 6.955 0.633 -3.148 1.00 64.53 C ATOM 218 C ILE A 409 6.331 1.963 -2.720 1.00 65.43 C ATOM 219 O ILE A 409 5.177 2.037 -2.293 1.00 62.12 O ATOM 220 CB ILE A 409 6.220 -0.026 -4.404 1.00 31.15 C ATOM 221 CG1 ILE A 409 5.585 -1.408 -4.072 1.00 14.51 C ATOM 222 CG2 ILE A 409 7.214 -0.210 -5.564 1.00 40.42 C ATOM 223 CD1 ILE A 409 4.079 -1.493 -4.253 1.00 23.33 C ATOM 0 H ILE A 409 6.248 -0.758 -1.671 1.00 12.44 H new ATOM 0 HA ILE A 409 7.963 0.873 -3.486 1.00 64.53 H new ATOM 0 HB ILE A 409 5.419 0.657 -4.686 1.00 31.15 H new ATOM 0 HG12 ILE A 409 6.053 -2.165 -4.702 1.00 14.51 H new ATOM 0 HG13 ILE A 409 5.825 -1.660 -3.039 1.00 14.51 H new ATOM 0 HG21 ILE A 409 6.702 -0.660 -6.414 1.00 40.42 H new ATOM 0 HG22 ILE A 409 7.617 0.760 -5.855 1.00 40.42 H new ATOM 0 HG23 ILE A 409 8.028 -0.861 -5.245 1.00 40.42 H new ATOM 0 HD11 ILE A 409 3.738 -2.496 -3.996 1.00 23.33 H new ATOM 0 HD12 ILE A 409 3.593 -0.766 -3.602 1.00 23.33 H new ATOM 0 HD13 ILE A 409 3.825 -1.278 -5.291 1.00 23.33 H new ATOM 235 N TYR A 410 7.145 3.031 -2.876 1.00 24.03 N ATOM 236 CA TYR A 410 6.821 4.357 -2.334 1.00 61.43 C ATOM 237 C TYR A 410 7.062 5.433 -3.428 1.00 22.14 C ATOM 238 O TYR A 410 7.762 5.123 -4.397 1.00 21.25 O ATOM 239 CB TYR A 410 7.673 4.645 -1.041 1.00 24.50 C ATOM 240 CG TYR A 410 9.187 4.986 -1.200 1.00 23.25 C ATOM 241 CD1 TYR A 410 9.614 6.283 -1.479 1.00 63.21 C ATOM 242 CD2 TYR A 410 10.196 4.027 -1.028 1.00 51.44 C ATOM 243 CE1 TYR A 410 10.954 6.606 -1.594 1.00 42.12 C ATOM 244 CE2 TYR A 410 11.544 4.361 -1.147 1.00 53.52 C ATOM 245 CZ TYR A 410 11.907 5.647 -1.429 1.00 72.23 C ATOM 246 OH TYR A 410 13.241 5.977 -1.535 1.00 73.51 O ATOM 0 H TYR A 410 8.033 2.993 -3.376 1.00 24.03 H new ATOM 0 HA TYR A 410 5.771 4.388 -2.045 1.00 61.43 H new ATOM 0 HB2 TYR A 410 7.202 5.474 -0.513 1.00 24.50 H new ATOM 0 HB3 TYR A 410 7.598 3.771 -0.394 1.00 24.50 H new ATOM 0 HD1 TYR A 410 8.876 7.060 -1.609 1.00 63.21 H new ATOM 0 HD2 TYR A 410 9.923 3.008 -0.798 1.00 51.44 H new ATOM 0 HE1 TYR A 410 11.246 7.622 -1.815 1.00 42.12 H new ATOM 0 HE2 TYR A 410 12.302 3.603 -1.016 1.00 53.52 H new ATOM 0 HH TYR A 410 13.788 5.177 -1.389 1.00 73.51 H new ATOM 256 N HIS A 411 6.463 6.680 -3.302 1.00 30.32 N ATOM 257 CA HIS A 411 6.794 7.834 -4.187 1.00 44.44 C ATOM 258 C HIS A 411 6.304 7.632 -5.646 1.00 62.12 C ATOM 259 O HIS A 411 6.933 8.143 -6.577 1.00 25.03 O ATOM 260 CB HIS A 411 8.312 8.176 -4.188 1.00 74.24 C ATOM 261 CG HIS A 411 8.755 9.208 -3.160 1.00 35.23 C ATOM 262 ND1 HIS A 411 10.070 9.606 -3.065 1.00 32.44 N ATOM 263 CD2 HIS A 411 8.081 9.932 -2.197 1.00 72.01 C ATOM 264 CE1 HIS A 411 10.198 10.485 -2.089 1.00 15.21 C ATOM 265 NE2 HIS A 411 9.016 10.701 -1.556 1.00 45.11 N ATOM 0 H HIS A 411 5.757 6.892 -2.597 1.00 30.32 H new ATOM 0 HA HIS A 411 6.254 8.678 -3.759 1.00 44.44 H new ATOM 0 HB2 HIS A 411 8.873 7.257 -4.019 1.00 74.24 H new ATOM 0 HB3 HIS A 411 8.584 8.538 -5.180 1.00 74.24 H new ATOM 0 HD2 HIS A 411 7.022 9.899 -1.989 1.00 72.01 H new ATOM 0 HE1 HIS A 411 11.122 10.950 -1.779 1.00 15.21 H new ATOM 0 HE2 HIS A 411 8.825 11.341 -0.785 1.00 45.11 H new ATOM 274 N LEU A 412 5.183 6.890 -5.821 1.00 23.23 N ATOM 275 CA LEU A 412 4.518 6.723 -7.131 1.00 33.21 C ATOM 276 C LEU A 412 4.088 8.060 -7.778 1.00 5.32 C ATOM 277 O LEU A 412 3.707 9.011 -7.096 1.00 42.34 O ATOM 278 CB LEU A 412 3.274 5.785 -7.018 1.00 15.15 C ATOM 279 CG LEU A 412 2.254 6.125 -5.908 1.00 11.42 C ATOM 280 CD1 LEU A 412 1.169 7.139 -6.297 1.00 34.52 C ATOM 281 CD2 LEU A 412 1.557 4.890 -5.403 1.00 65.33 C ATOM 0 H LEU A 412 4.719 6.394 -5.060 1.00 23.23 H new ATOM 0 HA LEU A 412 5.268 6.270 -7.779 1.00 33.21 H new ATOM 0 HB2 LEU A 412 2.752 5.793 -7.975 1.00 15.15 H new ATOM 0 HB3 LEU A 412 3.628 4.767 -6.856 1.00 15.15 H new ATOM 0 HG LEU A 412 2.872 6.585 -5.137 1.00 11.42 H new ATOM 0 HD11 LEU A 412 0.506 7.307 -5.448 1.00 34.52 H new ATOM 0 HD12 LEU A 412 1.637 8.081 -6.583 1.00 34.52 H new ATOM 0 HD13 LEU A 412 0.592 6.751 -7.136 1.00 34.52 H new ATOM 0 HD21 LEU A 412 0.847 5.166 -4.623 1.00 65.33 H new ATOM 0 HD22 LEU A 412 1.025 4.410 -6.225 1.00 65.33 H new ATOM 0 HD23 LEU A 412 2.293 4.198 -4.994 1.00 65.33 H new ATOM 293 N PRO A 413 4.225 8.146 -9.122 1.00 34.41 N ATOM 294 CA PRO A 413 3.629 9.205 -9.972 1.00 54.10 C ATOM 295 C PRO A 413 2.096 9.123 -10.075 1.00 51.20 C ATOM 296 O PRO A 413 1.517 8.137 -9.687 1.00 64.15 O ATOM 297 CB PRO A 413 4.311 8.949 -11.314 1.00 31.00 C ATOM 298 CG PRO A 413 4.546 7.496 -11.295 1.00 22.03 C ATOM 299 CD PRO A 413 5.065 7.250 -9.937 1.00 41.32 C ATOM 0 HA PRO A 413 3.787 10.207 -9.573 1.00 54.10 H new ATOM 0 HB2 PRO A 413 3.678 9.244 -12.151 1.00 31.00 H new ATOM 0 HB3 PRO A 413 5.243 9.507 -11.406 1.00 31.00 H new ATOM 0 HG2 PRO A 413 3.628 6.938 -11.481 1.00 22.03 H new ATOM 0 HG3 PRO A 413 5.262 7.195 -12.059 1.00 22.03 H new ATOM 0 HD2 PRO A 413 4.956 6.207 -9.641 1.00 41.32 H new ATOM 0 HD3 PRO A 413 6.124 7.496 -9.854 1.00 41.32 H new ATOM 307 N GLN A 414 1.474 10.212 -10.554 1.00 40.14 N ATOM 308 CA GLN A 414 -0.016 10.392 -10.614 1.00 73.35 C ATOM 309 C GLN A 414 -0.807 9.257 -11.378 1.00 33.31 C ATOM 310 O GLN A 414 -1.944 8.971 -10.995 1.00 34.14 O ATOM 311 CB GLN A 414 -0.289 11.822 -11.197 1.00 72.22 C ATOM 312 CG GLN A 414 -1.454 11.975 -12.202 1.00 33.43 C ATOM 313 CD GLN A 414 -1.303 13.248 -13.005 1.00 41.43 C ATOM 314 OE1 GLN A 414 -1.824 14.299 -12.635 1.00 24.55 O ATOM 315 NE2 GLN A 414 -0.546 13.173 -14.089 1.00 61.31 N ATOM 0 H GLN A 414 1.986 11.015 -10.920 1.00 40.14 H new ATOM 0 HA GLN A 414 -0.410 10.300 -9.602 1.00 73.35 H new ATOM 0 HB2 GLN A 414 -0.476 12.496 -10.361 1.00 72.22 H new ATOM 0 HB3 GLN A 414 0.623 12.166 -11.685 1.00 72.22 H new ATOM 0 HG2 GLN A 414 -1.477 11.116 -12.873 1.00 33.43 H new ATOM 0 HG3 GLN A 414 -2.403 11.987 -11.667 1.00 33.43 H new ATOM 0 HE21 GLN A 414 -0.132 12.281 -14.361 1.00 61.31 H new ATOM 0 HE22 GLN A 414 -0.377 14.007 -14.651 1.00 61.31 H new ATOM 324 N GLU A 415 -0.230 8.612 -12.429 1.00 13.02 N ATOM 325 CA GLU A 415 -0.942 7.506 -13.141 1.00 30.40 C ATOM 326 C GLU A 415 -0.603 6.119 -12.495 1.00 22.34 C ATOM 327 O GLU A 415 -1.330 5.149 -12.710 1.00 54.44 O ATOM 328 CB GLU A 415 -0.647 7.572 -14.672 1.00 72.13 C ATOM 329 CG GLU A 415 -1.818 7.210 -15.630 1.00 33.32 C ATOM 330 CD GLU A 415 -1.390 7.265 -17.090 1.00 24.24 C ATOM 331 OE1 GLU A 415 -1.378 8.374 -17.669 1.00 65.40 O ATOM 332 OE2 GLU A 415 -1.070 6.201 -17.662 1.00 43.32 O ATOM 0 H GLU A 415 0.697 8.827 -12.796 1.00 13.02 H new ATOM 0 HA GLU A 415 -2.019 7.632 -13.028 1.00 30.40 H new ATOM 0 HB2 GLU A 415 -0.314 8.582 -14.910 1.00 72.13 H new ATOM 0 HB3 GLU A 415 0.186 6.903 -14.886 1.00 72.13 H new ATOM 0 HG2 GLU A 415 -2.184 6.210 -15.396 1.00 33.32 H new ATOM 0 HG3 GLU A 415 -2.647 7.899 -15.468 1.00 33.32 H new ATOM 339 N PHE A 416 0.512 6.045 -11.714 1.00 5.12 N ATOM 340 CA PHE A 416 0.693 4.965 -10.674 1.00 51.23 C ATOM 341 C PHE A 416 -0.116 5.343 -9.365 1.00 64.14 C ATOM 342 O PHE A 416 -0.581 6.473 -9.233 1.00 42.25 O ATOM 343 CB PHE A 416 2.200 4.539 -10.407 1.00 2.53 C ATOM 344 CG PHE A 416 2.890 3.597 -11.432 1.00 3.13 C ATOM 345 CD1 PHE A 416 2.377 3.313 -12.708 1.00 24.52 C ATOM 346 CD2 PHE A 416 4.081 2.961 -11.067 1.00 32.44 C ATOM 347 CE1 PHE A 416 3.034 2.432 -13.568 1.00 20.23 C ATOM 348 CE2 PHE A 416 4.729 2.092 -11.926 1.00 65.02 C ATOM 349 CZ PHE A 416 4.203 1.825 -13.170 1.00 54.31 C ATOM 0 H PHE A 416 1.290 6.702 -11.775 1.00 5.12 H new ATOM 0 HA PHE A 416 0.268 4.048 -11.083 1.00 51.23 H new ATOM 0 HB2 PHE A 416 2.796 5.449 -10.338 1.00 2.53 H new ATOM 0 HB3 PHE A 416 2.241 4.056 -9.431 1.00 2.53 H new ATOM 0 HD1 PHE A 416 1.460 3.784 -13.029 1.00 24.52 H new ATOM 0 HD2 PHE A 416 4.504 3.153 -10.092 1.00 32.44 H new ATOM 0 HE1 PHE A 416 2.625 2.227 -14.546 1.00 20.23 H new ATOM 0 HE2 PHE A 416 5.651 1.621 -11.620 1.00 65.02 H new ATOM 0 HZ PHE A 416 4.708 1.139 -13.834 1.00 54.31 H new ATOM 359 N GLY A 417 -0.367 4.386 -8.435 1.00 22.32 N ATOM 360 CA GLY A 417 -1.611 4.420 -7.620 1.00 40.10 C ATOM 361 C GLY A 417 -2.013 2.996 -7.172 1.00 21.02 C ATOM 362 O GLY A 417 -1.350 2.043 -7.588 1.00 1.31 O ATOM 0 H GLY A 417 0.254 3.603 -8.233 1.00 22.32 H new ATOM 0 HA2 GLY A 417 -1.461 5.052 -6.745 1.00 40.10 H new ATOM 0 HA3 GLY A 417 -2.419 4.865 -8.200 1.00 40.10 H new ATOM 366 N ASP A 418 -3.093 2.807 -6.353 1.00 22.24 N ATOM 367 CA ASP A 418 -3.240 1.514 -5.626 1.00 23.23 C ATOM 368 C ASP A 418 -3.870 0.359 -6.415 1.00 52.20 C ATOM 369 O ASP A 418 -3.333 -0.753 -6.329 1.00 11.13 O ATOM 370 CB ASP A 418 -3.914 1.608 -4.245 1.00 3.13 C ATOM 371 CG ASP A 418 -5.308 2.199 -4.294 1.00 23.40 C ATOM 372 OD1 ASP A 418 -5.427 3.439 -4.282 1.00 41.44 O ATOM 373 OD2 ASP A 418 -6.281 1.419 -4.354 1.00 34.33 O ATOM 0 H ASP A 418 -3.832 3.491 -6.188 1.00 22.24 H new ATOM 0 HA ASP A 418 -2.188 1.268 -5.479 1.00 23.23 H new ATOM 0 HB2 ASP A 418 -3.965 0.612 -3.806 1.00 3.13 H new ATOM 0 HB3 ASP A 418 -3.293 2.215 -3.587 1.00 3.13 H new ATOM 378 N GLN A 419 -5.003 0.573 -7.151 1.00 53.14 N ATOM 379 CA GLN A 419 -5.575 -0.479 -7.990 1.00 2.11 C ATOM 380 C GLN A 419 -4.536 -0.900 -9.084 1.00 43.25 C ATOM 381 O GLN A 419 -4.488 -2.065 -9.508 1.00 53.41 O ATOM 382 CB GLN A 419 -6.912 -0.073 -8.659 1.00 53.22 C ATOM 383 CG GLN A 419 -7.565 -1.252 -9.408 1.00 4.55 C ATOM 384 CD GLN A 419 -8.381 -0.835 -10.609 1.00 60.22 C ATOM 385 OE1 GLN A 419 -9.559 -0.554 -10.489 1.00 74.22 O ATOM 386 NE2 GLN A 419 -7.772 -0.850 -11.786 1.00 42.52 N ATOM 0 H GLN A 419 -5.516 1.455 -7.168 1.00 53.14 H new ATOM 0 HA GLN A 419 -5.801 -1.320 -7.334 1.00 2.11 H new ATOM 0 HB2 GLN A 419 -7.599 0.299 -7.899 1.00 53.22 H new ATOM 0 HB3 GLN A 419 -6.734 0.746 -9.356 1.00 53.22 H new ATOM 0 HG2 GLN A 419 -6.785 -1.941 -9.732 1.00 4.55 H new ATOM 0 HG3 GLN A 419 -8.206 -1.799 -8.717 1.00 4.55 H new ATOM 0 HE21 GLN A 419 -6.783 -1.091 -11.845 1.00 42.52 H new ATOM 0 HE22 GLN A 419 -8.293 -0.621 -12.633 1.00 42.52 H new ATOM 395 N ASP A 420 -3.636 0.053 -9.455 1.00 35.13 N ATOM 396 CA ASP A 420 -2.733 -0.110 -10.603 1.00 3.12 C ATOM 397 C ASP A 420 -1.380 -0.789 -10.203 1.00 63.15 C ATOM 398 O ASP A 420 -0.626 -1.242 -11.070 1.00 40.20 O ATOM 399 CB ASP A 420 -2.561 1.238 -11.399 1.00 41.53 C ATOM 400 CG ASP A 420 -1.117 1.676 -11.593 1.00 52.35 C ATOM 401 OD1 ASP A 420 -0.515 2.154 -10.616 1.00 41.14 O ATOM 402 OD2 ASP A 420 -0.576 1.473 -12.707 1.00 3.32 O ATOM 0 H ASP A 420 -3.526 0.941 -8.966 1.00 35.13 H new ATOM 0 HA ASP A 420 -3.202 -0.807 -11.297 1.00 3.12 H new ATOM 0 HB2 ASP A 420 -3.029 1.130 -12.377 1.00 41.53 H new ATOM 0 HB3 ASP A 420 -3.099 2.027 -10.874 1.00 41.53 H new ATOM 407 N ILE A 421 -1.092 -0.869 -8.890 1.00 34.10 N ATOM 408 CA ILE A 421 0.155 -1.497 -8.370 1.00 2.31 C ATOM 409 C ILE A 421 0.216 -3.018 -8.741 1.00 63.54 C ATOM 410 O ILE A 421 1.261 -3.530 -9.148 1.00 40.21 O ATOM 411 CB ILE A 421 0.291 -1.214 -6.814 1.00 5.41 C ATOM 412 CG1 ILE A 421 1.172 0.048 -6.545 1.00 42.33 C ATOM 413 CG2 ILE A 421 0.820 -2.410 -5.999 1.00 75.11 C ATOM 414 CD1 ILE A 421 0.808 0.783 -5.249 1.00 53.31 C ATOM 0 H ILE A 421 -1.705 -0.507 -8.160 1.00 34.10 H new ATOM 0 HA ILE A 421 1.023 -1.045 -8.850 1.00 2.31 H new ATOM 0 HB ILE A 421 -0.727 -1.032 -6.468 1.00 5.41 H new ATOM 0 HG12 ILE A 421 2.219 -0.252 -6.501 1.00 42.33 H new ATOM 0 HG13 ILE A 421 1.072 0.736 -7.384 1.00 42.33 H new ATOM 0 HG21 ILE A 421 0.883 -2.134 -4.947 1.00 75.11 H new ATOM 0 HG22 ILE A 421 0.142 -3.256 -6.112 1.00 75.11 H new ATOM 0 HG23 ILE A 421 1.810 -2.688 -6.361 1.00 75.11 H new ATOM 0 HD11 ILE A 421 1.459 1.648 -5.126 1.00 53.31 H new ATOM 0 HD12 ILE A 421 -0.229 1.114 -5.297 1.00 53.31 H new ATOM 0 HD13 ILE A 421 0.935 0.110 -4.401 1.00 53.31 H new ATOM 426 N LEU A 422 -0.934 -3.690 -8.618 1.00 53.12 N ATOM 427 CA LEU A 422 -1.190 -5.051 -9.100 1.00 43.21 C ATOM 428 C LEU A 422 -1.287 -5.124 -10.676 1.00 35.53 C ATOM 429 O LEU A 422 -1.146 -6.200 -11.229 1.00 62.04 O ATOM 430 CB LEU A 422 -2.426 -5.630 -8.251 1.00 11.42 C ATOM 431 CG LEU A 422 -3.398 -6.697 -8.826 1.00 24.03 C ATOM 432 CD1 LEU A 422 -4.284 -7.241 -7.709 1.00 21.30 C ATOM 433 CD2 LEU A 422 -4.330 -6.154 -9.920 1.00 21.12 C ATOM 0 H LEU A 422 -1.748 -3.281 -8.159 1.00 53.12 H new ATOM 0 HA LEU A 422 -0.349 -5.720 -8.920 1.00 43.21 H new ATOM 0 HB2 LEU A 422 -2.008 -6.048 -7.335 1.00 11.42 H new ATOM 0 HB3 LEU A 422 -3.036 -4.774 -7.962 1.00 11.42 H new ATOM 0 HG LEU A 422 -2.765 -7.468 -9.266 1.00 24.03 H new ATOM 0 HD11 LEU A 422 -4.964 -7.989 -8.116 1.00 21.30 H new ATOM 0 HD12 LEU A 422 -3.661 -7.697 -6.940 1.00 21.30 H new ATOM 0 HD13 LEU A 422 -4.861 -6.426 -7.272 1.00 21.30 H new ATOM 0 HD21 LEU A 422 -4.980 -6.954 -10.274 1.00 21.12 H new ATOM 0 HD22 LEU A 422 -4.938 -5.346 -9.512 1.00 21.12 H new ATOM 0 HD23 LEU A 422 -3.734 -5.776 -10.751 1.00 21.12 H new ATOM 445 N GLN A 423 -1.499 -3.977 -11.402 1.00 2.55 N ATOM 446 CA GLN A 423 -1.649 -3.990 -12.892 1.00 73.33 C ATOM 447 C GLN A 423 -0.307 -4.207 -13.628 1.00 1.43 C ATOM 448 O GLN A 423 -0.221 -5.111 -14.464 1.00 51.31 O ATOM 449 CB GLN A 423 -2.328 -2.694 -13.425 1.00 75.14 C ATOM 450 CG GLN A 423 -3.859 -2.587 -13.201 1.00 70.02 C ATOM 451 CD GLN A 423 -4.446 -1.380 -13.900 1.00 51.41 C ATOM 452 OE1 GLN A 423 -3.788 -0.361 -14.094 1.00 32.31 O ATOM 453 NE2 GLN A 423 -5.701 -1.483 -14.285 1.00 41.31 N ATOM 0 H GLN A 423 -1.568 -3.049 -10.984 1.00 2.55 H new ATOM 0 HA GLN A 423 -2.295 -4.841 -13.106 1.00 73.33 H new ATOM 0 HB2 GLN A 423 -1.851 -1.836 -12.951 1.00 75.14 H new ATOM 0 HB3 GLN A 423 -2.131 -2.618 -14.494 1.00 75.14 H new ATOM 0 HG2 GLN A 423 -4.344 -3.491 -13.568 1.00 70.02 H new ATOM 0 HG3 GLN A 423 -4.067 -2.525 -12.133 1.00 70.02 H new ATOM 0 HE21 GLN A 423 -6.220 -2.343 -14.109 1.00 41.31 H new ATOM 0 HE22 GLN A 423 -6.155 -0.702 -14.760 1.00 41.31 H new ATOM 462 N MET A 424 0.725 -3.398 -13.333 1.00 73.11 N ATOM 463 CA MET A 424 1.996 -3.487 -14.077 1.00 34.01 C ATOM 464 C MET A 424 2.943 -4.611 -13.576 1.00 1.44 C ATOM 465 O MET A 424 3.864 -4.984 -14.309 1.00 42.24 O ATOM 466 CB MET A 424 2.749 -2.130 -14.108 1.00 65.11 C ATOM 467 CG MET A 424 1.939 -0.949 -14.662 1.00 74.05 C ATOM 468 SD MET A 424 1.119 -1.336 -16.213 1.00 52.22 S ATOM 469 CE MET A 424 0.024 0.069 -16.337 1.00 30.32 C ATOM 0 H MET A 424 0.708 -2.688 -12.600 1.00 73.11 H new ATOM 0 HA MET A 424 1.702 -3.752 -15.093 1.00 34.01 H new ATOM 0 HB2 MET A 424 3.070 -1.887 -13.095 1.00 65.11 H new ATOM 0 HB3 MET A 424 3.651 -2.246 -14.709 1.00 65.11 H new ATOM 0 HG2 MET A 424 1.193 -0.649 -13.926 1.00 74.05 H new ATOM 0 HG3 MET A 424 2.602 -0.097 -14.809 1.00 74.05 H new ATOM 0 HE1 MET A 424 -0.566 -0.009 -17.250 1.00 30.32 H new ATOM 0 HE2 MET A 424 -0.642 0.088 -15.475 1.00 30.32 H new ATOM 0 HE3 MET A 424 0.611 0.987 -16.362 1.00 30.32 H new ATOM 479 N PHE A 425 2.733 -5.173 -12.359 1.00 70.51 N ATOM 480 CA PHE A 425 3.736 -6.053 -11.744 1.00 53.41 C ATOM 481 C PHE A 425 3.465 -7.575 -11.987 1.00 72.34 C ATOM 482 O PHE A 425 4.264 -8.410 -11.546 1.00 41.51 O ATOM 483 CB PHE A 425 3.934 -5.708 -10.232 1.00 20.43 C ATOM 484 CG PHE A 425 5.309 -5.198 -9.896 1.00 34.13 C ATOM 485 CD1 PHE A 425 5.637 -3.864 -10.114 1.00 70.21 C ATOM 486 CD2 PHE A 425 6.276 -6.029 -9.345 1.00 25.33 C ATOM 487 CE1 PHE A 425 6.882 -3.377 -9.815 1.00 43.12 C ATOM 488 CE2 PHE A 425 7.533 -5.541 -9.046 1.00 24.11 C ATOM 489 CZ PHE A 425 7.839 -4.212 -9.276 1.00 23.13 C ATOM 0 H PHE A 425 1.892 -5.031 -11.800 1.00 70.51 H new ATOM 0 HA PHE A 425 4.679 -5.855 -12.253 1.00 53.41 H new ATOM 0 HB2 PHE A 425 3.198 -4.958 -9.942 1.00 20.43 H new ATOM 0 HB3 PHE A 425 3.733 -6.599 -9.637 1.00 20.43 H new ATOM 0 HD1 PHE A 425 4.894 -3.198 -10.528 1.00 70.21 H new ATOM 0 HD2 PHE A 425 6.043 -7.065 -9.149 1.00 25.33 H new ATOM 0 HE1 PHE A 425 7.115 -2.339 -10.001 1.00 43.12 H new ATOM 0 HE2 PHE A 425 8.281 -6.200 -8.631 1.00 24.11 H new ATOM 0 HZ PHE A 425 8.820 -3.830 -9.035 1.00 23.13 H new ATOM 499 N MET A 426 2.358 -7.945 -12.694 1.00 24.41 N ATOM 500 CA MET A 426 1.919 -9.356 -12.782 1.00 62.02 C ATOM 501 C MET A 426 2.747 -10.257 -13.722 1.00 31.01 C ATOM 502 O MET A 426 2.932 -11.423 -13.384 1.00 14.24 O ATOM 503 CB MET A 426 0.447 -9.510 -13.171 1.00 63.32 C ATOM 504 CG MET A 426 -0.516 -9.042 -12.104 1.00 41.42 C ATOM 505 SD MET A 426 -1.968 -10.107 -11.974 1.00 43.53 S ATOM 506 CE MET A 426 -1.373 -11.376 -10.861 1.00 53.33 C ATOM 0 H MET A 426 1.765 -7.289 -13.203 1.00 24.41 H new ATOM 0 HA MET A 426 2.083 -9.698 -11.760 1.00 62.02 H new ATOM 0 HB2 MET A 426 0.262 -8.948 -14.087 1.00 63.32 H new ATOM 0 HB3 MET A 426 0.247 -10.558 -13.394 1.00 63.32 H new ATOM 0 HG2 MET A 426 -0.003 -9.013 -11.143 1.00 41.42 H new ATOM 0 HG3 MET A 426 -0.834 -8.024 -12.327 1.00 41.42 H new ATOM 0 HE1 MET A 426 -1.503 -12.355 -11.322 1.00 53.33 H new ATOM 0 HE2 MET A 426 -0.316 -11.211 -10.653 1.00 53.33 H new ATOM 0 HE3 MET A 426 -1.937 -11.336 -9.929 1.00 53.33 H new ATOM 516 N PRO A 427 3.228 -9.816 -14.941 1.00 22.32 N ATOM 517 CA PRO A 427 4.032 -10.707 -15.787 1.00 63.14 C ATOM 518 C PRO A 427 5.480 -10.947 -15.296 1.00 60.54 C ATOM 519 O PRO A 427 6.263 -11.619 -15.972 1.00 21.45 O ATOM 520 CB PRO A 427 3.989 -10.070 -17.178 1.00 23.35 C ATOM 521 CG PRO A 427 3.552 -8.652 -17.001 1.00 51.14 C ATOM 522 CD PRO A 427 2.977 -8.509 -15.618 1.00 3.31 C ATOM 0 HA PRO A 427 3.615 -11.714 -15.769 1.00 63.14 H new ATOM 0 HB2 PRO A 427 4.970 -10.114 -17.652 1.00 23.35 H new ATOM 0 HB3 PRO A 427 3.297 -10.608 -17.826 1.00 23.35 H new ATOM 0 HG2 PRO A 427 4.395 -7.974 -17.134 1.00 51.14 H new ATOM 0 HG3 PRO A 427 2.808 -8.387 -17.752 1.00 51.14 H new ATOM 0 HD2 PRO A 427 3.453 -7.690 -15.078 1.00 3.31 H new ATOM 0 HD3 PRO A 427 1.911 -8.287 -15.658 1.00 3.31 H new ATOM 530 N PHE A 428 5.825 -10.409 -14.117 1.00 52.13 N ATOM 531 CA PHE A 428 7.105 -10.722 -13.474 1.00 43.13 C ATOM 532 C PHE A 428 6.867 -11.623 -12.218 1.00 40.55 C ATOM 533 O PHE A 428 7.824 -11.911 -11.498 1.00 13.43 O ATOM 534 CB PHE A 428 7.949 -9.422 -13.110 1.00 40.53 C ATOM 535 CG PHE A 428 8.417 -8.545 -14.270 1.00 12.23 C ATOM 536 CD1 PHE A 428 9.066 -9.089 -15.375 1.00 60.31 C ATOM 537 CD2 PHE A 428 8.276 -7.157 -14.220 1.00 64.45 C ATOM 538 CE1 PHE A 428 9.552 -8.274 -16.385 1.00 13.24 C ATOM 539 CE2 PHE A 428 8.757 -6.346 -15.239 1.00 21.21 C ATOM 540 CZ PHE A 428 9.398 -6.906 -16.314 1.00 50.01 C ATOM 0 H PHE A 428 5.238 -9.759 -13.594 1.00 52.13 H new ATOM 0 HA PHE A 428 7.707 -11.274 -14.196 1.00 43.13 H new ATOM 0 HB2 PHE A 428 7.348 -8.805 -12.442 1.00 40.53 H new ATOM 0 HB3 PHE A 428 8.829 -9.737 -12.548 1.00 40.53 H new ATOM 0 HD1 PHE A 428 9.192 -10.159 -15.446 1.00 60.31 H new ATOM 0 HD2 PHE A 428 7.783 -6.705 -13.372 1.00 64.45 H new ATOM 0 HE1 PHE A 428 10.055 -8.714 -17.234 1.00 13.24 H new ATOM 0 HE2 PHE A 428 8.626 -5.275 -15.185 1.00 21.21 H new ATOM 0 HZ PHE A 428 9.781 -6.277 -17.103 1.00 50.01 H new ATOM 550 N GLY A 429 5.612 -12.147 -11.986 1.00 33.23 N ATOM 551 CA GLY A 429 5.369 -12.972 -10.772 1.00 34.25 C ATOM 552 C GLY A 429 3.939 -12.767 -10.092 1.00 42.14 C ATOM 553 O GLY A 429 3.224 -11.849 -10.487 1.00 24.33 O ATOM 0 H GLY A 429 4.803 -12.016 -12.593 1.00 33.23 H new ATOM 0 HA2 GLY A 429 5.481 -14.023 -11.037 1.00 34.25 H new ATOM 0 HA3 GLY A 429 6.140 -12.745 -10.036 1.00 34.25 H new ATOM 557 N ASN A 430 3.531 -13.606 -9.054 1.00 11.01 N ATOM 558 CA ASN A 430 2.127 -13.573 -8.438 1.00 74.41 C ATOM 559 C ASN A 430 1.911 -12.435 -7.342 1.00 5.25 C ATOM 560 O ASN A 430 2.861 -12.070 -6.649 1.00 33.35 O ATOM 561 CB ASN A 430 1.837 -14.993 -7.842 1.00 4.54 C ATOM 562 CG ASN A 430 0.366 -15.284 -7.506 1.00 52.05 C ATOM 563 OD1 ASN A 430 -0.551 -14.587 -7.963 1.00 73.10 O ATOM 564 ND2 ASN A 430 0.148 -16.369 -6.751 1.00 72.31 N ATOM 0 H ASN A 430 4.144 -14.303 -8.631 1.00 11.01 H new ATOM 0 HA ASN A 430 1.421 -13.319 -9.228 1.00 74.41 H new ATOM 0 HB2 ASN A 430 2.184 -15.743 -8.552 1.00 4.54 H new ATOM 0 HB3 ASN A 430 2.429 -15.115 -6.935 1.00 4.54 H new ATOM 0 HD21 ASN A 430 -0.806 -16.653 -6.530 1.00 72.31 H new ATOM 0 HD22 ASN A 430 0.936 -16.911 -6.398 1.00 72.31 H new ATOM 571 N VAL A 431 0.650 -11.849 -7.229 1.00 72.31 N ATOM 572 CA VAL A 431 0.288 -10.846 -6.158 1.00 73.12 C ATOM 573 C VAL A 431 -0.223 -11.595 -4.882 1.00 71.11 C ATOM 574 O VAL A 431 -0.807 -12.675 -5.030 1.00 61.41 O ATOM 575 CB VAL A 431 -0.847 -9.801 -6.581 1.00 23.22 C ATOM 576 CG1 VAL A 431 -0.602 -9.164 -7.933 1.00 73.43 C ATOM 577 CG2 VAL A 431 -2.297 -10.336 -6.543 1.00 4.20 C ATOM 0 H VAL A 431 -0.119 -12.059 -7.866 1.00 72.31 H new ATOM 0 HA VAL A 431 1.204 -10.284 -5.976 1.00 73.12 H new ATOM 0 HB VAL A 431 -0.760 -9.049 -5.797 1.00 23.22 H new ATOM 0 HG11 VAL A 431 -1.409 -8.466 -8.158 1.00 73.43 H new ATOM 0 HG12 VAL A 431 0.347 -8.628 -7.916 1.00 73.43 H new ATOM 0 HG13 VAL A 431 -0.568 -9.938 -8.699 1.00 73.43 H new ATOM 0 HG21 VAL A 431 -2.984 -9.547 -6.848 1.00 4.20 H new ATOM 0 HG22 VAL A 431 -2.391 -11.182 -7.224 1.00 4.20 H new ATOM 0 HG23 VAL A 431 -2.540 -10.658 -5.530 1.00 4.20 H new ATOM 587 N ILE A 432 0.035 -11.115 -3.629 1.00 30.22 N ATOM 588 CA ILE A 432 -0.815 -11.631 -2.481 1.00 51.01 C ATOM 589 C ILE A 432 -1.585 -10.468 -1.789 1.00 74.14 C ATOM 590 O ILE A 432 -2.812 -10.541 -1.718 1.00 35.41 O ATOM 591 CB ILE A 432 -0.167 -12.692 -1.433 1.00 12.23 C ATOM 592 CG1 ILE A 432 1.087 -13.461 -1.995 1.00 2.22 C ATOM 593 CG2 ILE A 432 -1.194 -13.783 -1.061 1.00 64.24 C ATOM 594 CD1 ILE A 432 1.600 -14.685 -1.149 1.00 61.24 C ATOM 0 H ILE A 432 0.754 -10.433 -3.386 1.00 30.22 H new ATOM 0 HA ILE A 432 -1.520 -12.291 -2.987 1.00 51.01 H new ATOM 0 HB ILE A 432 0.133 -12.083 -0.580 1.00 12.23 H new ATOM 0 HG12 ILE A 432 0.848 -13.816 -2.997 1.00 2.22 H new ATOM 0 HG13 ILE A 432 1.906 -12.749 -2.096 1.00 2.22 H new ATOM 0 HG21 ILE A 432 -0.742 -14.484 -0.359 1.00 64.24 H new ATOM 0 HG22 ILE A 432 -2.066 -13.320 -0.600 1.00 64.24 H new ATOM 0 HG23 ILE A 432 -1.499 -14.317 -1.961 1.00 64.24 H new ATOM 0 HD11 ILE A 432 2.466 -15.129 -1.640 1.00 61.24 H new ATOM 0 HD12 ILE A 432 1.882 -14.346 -0.152 1.00 61.24 H new ATOM 0 HD13 ILE A 432 0.808 -15.429 -1.068 1.00 61.24 H new ATOM 606 N SER A 433 -0.898 -9.383 -1.306 1.00 44.31 N ATOM 607 CA SER A 433 -1.632 -8.189 -0.702 1.00 72.32 C ATOM 608 C SER A 433 -0.858 -6.806 -0.888 1.00 31.13 C ATOM 609 O SER A 433 0.372 -6.810 -0.759 1.00 1.44 O ATOM 610 CB SER A 433 -1.895 -8.423 0.823 1.00 14.51 C ATOM 611 OG SER A 433 -2.836 -9.460 1.012 1.00 1.05 O ATOM 0 H SER A 433 0.118 -9.298 -1.315 1.00 44.31 H new ATOM 0 HA SER A 433 -2.573 -8.112 -1.247 1.00 72.32 H new ATOM 0 HB2 SER A 433 -0.961 -8.677 1.324 1.00 14.51 H new ATOM 0 HB3 SER A 433 -2.262 -7.504 1.279 1.00 14.51 H new ATOM 0 HG SER A 433 -3.068 -9.853 0.145 1.00 1.05 H new ATOM 617 N ALA A 434 -1.541 -5.617 -1.212 1.00 73.31 N ATOM 618 CA ALA A 434 -0.864 -4.263 -1.062 1.00 14.40 C ATOM 619 C ALA A 434 -1.759 -3.176 -0.461 1.00 2.00 C ATOM 620 O ALA A 434 -2.978 -3.230 -0.575 1.00 11.13 O ATOM 621 CB ALA A 434 -0.358 -3.699 -2.379 1.00 75.41 C ATOM 0 H ALA A 434 -2.500 -5.580 -1.557 1.00 73.31 H new ATOM 0 HA ALA A 434 -0.040 -4.489 -0.385 1.00 14.40 H new ATOM 0 HB1 ALA A 434 0.114 -2.732 -2.203 1.00 75.41 H new ATOM 0 HB2 ALA A 434 0.370 -4.385 -2.813 1.00 75.41 H new ATOM 0 HB3 ALA A 434 -1.194 -3.575 -3.067 1.00 75.41 H new ATOM 627 N LYS A 435 -1.112 -2.191 0.224 1.00 62.35 N ATOM 628 CA LYS A 435 -1.765 -0.926 0.610 1.00 22.15 C ATOM 629 C LYS A 435 -0.717 0.224 0.597 1.00 50.10 C ATOM 630 O LYS A 435 0.379 0.054 1.152 1.00 53.20 O ATOM 631 CB LYS A 435 -2.450 -1.047 2.011 1.00 3.30 C ATOM 632 CG LYS A 435 -2.023 -2.277 2.807 1.00 73.13 C ATOM 633 CD LYS A 435 -2.193 -2.117 4.311 1.00 72.33 C ATOM 634 CE LYS A 435 -1.316 -0.998 4.865 1.00 35.12 C ATOM 635 NZ LYS A 435 -1.046 -1.141 6.324 1.00 11.21 N ATOM 0 H LYS A 435 -0.137 -2.258 0.516 1.00 62.35 H new ATOM 0 HA LYS A 435 -2.549 -0.700 -0.113 1.00 22.15 H new ATOM 0 HB2 LYS A 435 -2.223 -0.154 2.593 1.00 3.30 H new ATOM 0 HB3 LYS A 435 -3.531 -1.073 1.874 1.00 3.30 H new ATOM 0 HG2 LYS A 435 -2.605 -3.136 2.473 1.00 73.13 H new ATOM 0 HG3 LYS A 435 -0.978 -2.496 2.589 1.00 73.13 H new ATOM 0 HD2 LYS A 435 -3.238 -1.906 4.538 1.00 72.33 H new ATOM 0 HD3 LYS A 435 -1.942 -3.055 4.807 1.00 72.33 H new ATOM 0 HE2 LYS A 435 -0.369 -0.984 4.325 1.00 35.12 H new ATOM 0 HE3 LYS A 435 -1.801 -0.039 4.683 1.00 35.12 H new ATOM 0 HZ1 LYS A 435 -0.852 -0.205 6.734 1.00 11.21 H new ATOM 0 HZ2 LYS A 435 -1.876 -1.559 6.791 1.00 11.21 H new ATOM 0 HZ3 LYS A 435 -0.221 -1.759 6.466 1.00 11.21 H new ATOM 649 N VAL A 436 -1.030 1.369 -0.069 1.00 71.25 N ATOM 650 CA VAL A 436 -0.159 2.586 -0.015 1.00 14.45 C ATOM 651 C VAL A 436 -0.461 3.307 1.274 1.00 44.31 C ATOM 652 O VAL A 436 -1.617 3.712 1.454 1.00 60.22 O ATOM 653 CB VAL A 436 -0.337 3.629 -1.217 1.00 22.00 C ATOM 654 CG1 VAL A 436 0.967 3.837 -1.992 1.00 21.24 C ATOM 655 CG2 VAL A 436 -1.478 3.296 -2.188 1.00 54.13 C ATOM 0 H VAL A 436 -1.866 1.479 -0.643 1.00 71.25 H new ATOM 0 HA VAL A 436 0.866 2.222 -0.093 1.00 14.45 H new ATOM 0 HB VAL A 436 -0.616 4.560 -0.724 1.00 22.00 H new ATOM 0 HG11 VAL A 436 0.801 4.552 -2.798 1.00 21.24 H new ATOM 0 HG12 VAL A 436 1.733 4.221 -1.319 1.00 21.24 H new ATOM 0 HG13 VAL A 436 1.296 2.887 -2.412 1.00 21.24 H new ATOM 0 HG21 VAL A 436 -1.524 4.055 -2.969 1.00 54.13 H new ATOM 0 HG22 VAL A 436 -1.298 2.321 -2.640 1.00 54.13 H new ATOM 0 HG23 VAL A 436 -2.423 3.275 -1.645 1.00 54.13 H new ATOM 665 N PHE A 437 0.513 3.462 2.221 1.00 12.22 N ATOM 666 CA PHE A 437 0.147 4.200 3.399 1.00 25.43 C ATOM 667 C PHE A 437 0.333 5.684 3.130 1.00 51.13 C ATOM 668 O PHE A 437 1.428 6.242 3.243 1.00 44.31 O ATOM 669 CB PHE A 437 0.933 3.718 4.612 1.00 70.54 C ATOM 670 CG PHE A 437 0.114 3.703 5.868 1.00 20.00 C ATOM 671 CD1 PHE A 437 -0.886 2.753 6.048 1.00 35.02 C ATOM 672 CD2 PHE A 437 0.333 4.635 6.866 1.00 11.44 C ATOM 673 CE1 PHE A 437 -1.645 2.737 7.194 1.00 22.45 C ATOM 674 CE2 PHE A 437 -0.426 4.624 8.016 1.00 31.11 C ATOM 675 CZ PHE A 437 -1.418 3.673 8.180 1.00 53.25 C ATOM 0 H PHE A 437 1.469 3.108 2.176 1.00 12.22 H new ATOM 0 HA PHE A 437 -0.903 4.027 3.635 1.00 25.43 H new ATOM 0 HB2 PHE A 437 1.311 2.714 4.418 1.00 70.54 H new ATOM 0 HB3 PHE A 437 1.800 4.363 4.757 1.00 70.54 H new ATOM 0 HD1 PHE A 437 -1.068 2.019 5.277 1.00 35.02 H new ATOM 0 HD2 PHE A 437 1.106 5.379 6.743 1.00 11.44 H new ATOM 0 HE1 PHE A 437 -2.417 1.993 7.321 1.00 22.45 H new ATOM 0 HE2 PHE A 437 -0.247 5.357 8.789 1.00 31.11 H new ATOM 0 HZ PHE A 437 -2.014 3.664 9.080 1.00 53.25 H new ATOM 846 N PHE A 448 4.402 5.516 2.101 1.00 24.24 N ATOM 847 CA PHE A 448 5.255 4.328 2.229 1.00 1.12 C ATOM 848 C PHE A 448 4.410 3.055 1.949 1.00 13.43 C ATOM 849 O PHE A 448 3.337 2.878 2.510 1.00 41.43 O ATOM 850 CB PHE A 448 5.961 4.347 3.639 1.00 14.32 C ATOM 851 CG PHE A 448 5.448 3.403 4.710 1.00 4.15 C ATOM 852 CD1 PHE A 448 4.411 3.777 5.551 1.00 53.11 C ATOM 853 CD2 PHE A 448 6.022 2.146 4.883 1.00 32.10 C ATOM 854 CE1 PHE A 448 3.952 2.920 6.531 1.00 60.42 C ATOM 855 CE2 PHE A 448 5.562 1.290 5.860 1.00 60.22 C ATOM 856 CZ PHE A 448 4.525 1.675 6.682 1.00 23.12 C ATOM 0 HA PHE A 448 6.055 4.326 1.489 1.00 1.12 H new ATOM 0 HB2 PHE A 448 7.019 4.133 3.485 1.00 14.32 H new ATOM 0 HB3 PHE A 448 5.895 5.362 4.031 1.00 14.32 H new ATOM 0 HD1 PHE A 448 3.957 4.750 5.438 1.00 53.11 H new ATOM 0 HD2 PHE A 448 6.837 1.839 4.244 1.00 32.10 H new ATOM 0 HE1 PHE A 448 3.144 3.225 7.180 1.00 60.42 H new ATOM 0 HE2 PHE A 448 6.014 0.317 5.982 1.00 60.22 H new ATOM 0 HZ PHE A 448 4.161 1.002 7.444 1.00 23.12 H new ATOM 866 N GLY A 449 4.882 2.203 1.029 1.00 62.33 N ATOM 867 CA GLY A 449 4.127 0.964 0.676 1.00 13.43 C ATOM 868 C GLY A 449 4.916 -0.358 0.852 1.00 12.34 C ATOM 869 O GLY A 449 6.118 -0.310 1.039 1.00 4.51 O ATOM 0 H GLY A 449 5.757 2.331 0.521 1.00 62.33 H new ATOM 0 HA2 GLY A 449 3.228 0.917 1.291 1.00 13.43 H new ATOM 0 HA3 GLY A 449 3.800 1.039 -0.361 1.00 13.43 H new ATOM 873 N PHE A 450 4.222 -1.542 0.796 1.00 41.12 N ATOM 874 CA PHE A 450 4.897 -2.897 0.815 1.00 61.33 C ATOM 875 C PHE A 450 4.027 -4.005 0.142 1.00 41.34 C ATOM 876 O PHE A 450 2.810 -3.828 0.041 1.00 60.51 O ATOM 877 CB PHE A 450 5.415 -3.326 2.219 1.00 11.40 C ATOM 878 CG PHE A 450 4.430 -3.300 3.384 1.00 21.44 C ATOM 879 CD1 PHE A 450 3.398 -4.231 3.499 1.00 71.33 C ATOM 880 CD2 PHE A 450 4.555 -2.336 4.388 1.00 71.31 C ATOM 881 CE1 PHE A 450 2.517 -4.184 4.562 1.00 41.21 C ATOM 882 CE2 PHE A 450 3.676 -2.296 5.449 1.00 23.41 C ATOM 883 CZ PHE A 450 2.654 -3.216 5.535 1.00 24.43 C ATOM 0 H PHE A 450 3.205 -1.591 0.738 1.00 41.12 H new ATOM 0 HA PHE A 450 5.791 -2.777 0.204 1.00 61.33 H new ATOM 0 HB2 PHE A 450 5.806 -4.340 2.135 1.00 11.40 H new ATOM 0 HB3 PHE A 450 6.255 -2.680 2.477 1.00 11.40 H new ATOM 0 HD1 PHE A 450 3.286 -4.998 2.747 1.00 71.33 H new ATOM 0 HD2 PHE A 450 5.353 -1.611 4.332 1.00 71.31 H new ATOM 0 HE1 PHE A 450 1.718 -4.908 4.631 1.00 41.21 H new ATOM 0 HE2 PHE A 450 3.789 -1.542 6.214 1.00 23.41 H new ATOM 0 HZ PHE A 450 1.961 -3.179 6.363 1.00 24.43 H new ATOM 893 N VAL A 451 4.618 -5.181 -0.301 1.00 13.20 N ATOM 894 CA VAL A 451 3.803 -6.168 -1.127 1.00 64.41 C ATOM 895 C VAL A 451 4.411 -7.625 -1.126 1.00 71.11 C ATOM 896 O VAL A 451 5.624 -7.771 -0.945 1.00 14.05 O ATOM 897 CB VAL A 451 3.488 -5.552 -2.594 1.00 45.03 C ATOM 898 CG1 VAL A 451 4.735 -5.070 -3.327 1.00 3.45 C ATOM 899 CG2 VAL A 451 2.726 -6.467 -3.561 1.00 4.11 C ATOM 0 H VAL A 451 5.583 -5.456 -0.118 1.00 13.20 H new ATOM 0 HA VAL A 451 2.835 -6.308 -0.645 1.00 64.41 H new ATOM 0 HB VAL A 451 2.837 -4.718 -2.333 1.00 45.03 H new ATOM 0 HG11 VAL A 451 4.453 -4.670 -4.301 1.00 3.45 H new ATOM 0 HG12 VAL A 451 5.222 -4.290 -2.742 1.00 3.45 H new ATOM 0 HG13 VAL A 451 5.423 -5.905 -3.463 1.00 3.45 H new ATOM 0 HG21 VAL A 451 2.573 -5.949 -4.508 1.00 4.11 H new ATOM 0 HG22 VAL A 451 3.303 -7.375 -3.733 1.00 4.11 H new ATOM 0 HG23 VAL A 451 1.759 -6.728 -3.130 1.00 4.11 H new ATOM 909 N SER A 452 3.558 -8.716 -1.315 1.00 22.33 N ATOM 910 CA SER A 452 3.965 -10.094 -1.060 1.00 21.31 C ATOM 911 C SER A 452 4.234 -10.858 -2.417 1.00 14.53 C ATOM 912 O SER A 452 3.316 -10.976 -3.230 1.00 2.02 O ATOM 913 CB SER A 452 2.818 -10.770 -0.230 1.00 72.03 C ATOM 914 OG SER A 452 3.281 -11.950 0.379 1.00 22.30 O ATOM 0 H SER A 452 2.596 -8.625 -1.643 1.00 22.33 H new ATOM 0 HA SER A 452 4.899 -10.127 -0.499 1.00 21.31 H new ATOM 0 HB2 SER A 452 2.456 -10.079 0.531 1.00 72.03 H new ATOM 0 HB3 SER A 452 1.974 -10.997 -0.882 1.00 72.03 H new ATOM 0 HG SER A 452 2.555 -12.359 0.894 1.00 22.30 H new ATOM 920 N TYR A 453 5.495 -11.367 -2.678 1.00 63.25 N ATOM 921 CA TYR A 453 5.806 -12.031 -3.971 1.00 23.30 C ATOM 922 C TYR A 453 6.273 -13.479 -3.685 1.00 50.14 C ATOM 923 O TYR A 453 7.131 -13.625 -2.798 1.00 62.13 O ATOM 924 CB TYR A 453 6.889 -11.111 -4.621 1.00 54.04 C ATOM 925 CG TYR A 453 6.890 -10.773 -6.122 1.00 13.30 C ATOM 926 CD1 TYR A 453 5.828 -10.167 -6.784 1.00 60.30 C ATOM 927 CD2 TYR A 453 8.067 -10.879 -6.824 1.00 20.03 C ATOM 928 CE1 TYR A 453 5.953 -9.688 -8.085 1.00 75.40 C ATOM 929 CE2 TYR A 453 8.177 -10.427 -8.140 1.00 0.14 C ATOM 930 CZ TYR A 453 7.110 -9.822 -8.746 1.00 63.12 C ATOM 931 OH TYR A 453 7.214 -9.325 -10.023 1.00 24.11 O ATOM 0 H TYR A 453 6.276 -11.325 -2.024 1.00 63.25 H new ATOM 0 HA TYR A 453 4.964 -12.138 -4.655 1.00 23.30 H new ATOM 0 HB2 TYR A 453 6.854 -10.161 -4.087 1.00 54.04 H new ATOM 0 HB3 TYR A 453 7.856 -11.564 -4.402 1.00 54.04 H new ATOM 0 HD1 TYR A 453 4.881 -10.065 -6.275 1.00 60.30 H new ATOM 0 HD2 TYR A 453 8.928 -11.323 -6.346 1.00 20.03 H new ATOM 0 HE1 TYR A 453 5.113 -9.206 -8.563 1.00 75.40 H new ATOM 0 HE2 TYR A 453 9.104 -10.555 -8.680 1.00 0.14 H new ATOM 0 HH TYR A 453 7.119 -8.350 -10.003 1.00 24.11 H new ATOM 941 N ASP A 454 5.705 -14.537 -4.419 1.00 10.44 N ATOM 942 CA ASP A 454 5.943 -15.999 -4.146 1.00 52.24 C ATOM 943 C ASP A 454 7.297 -16.396 -3.534 1.00 1.05 C ATOM 944 O ASP A 454 7.372 -16.615 -2.329 1.00 13.52 O ATOM 945 CB ASP A 454 5.715 -16.823 -5.418 1.00 55.54 C ATOM 946 CG ASP A 454 4.347 -17.467 -5.473 1.00 43.25 C ATOM 947 OD1 ASP A 454 3.323 -16.755 -5.373 1.00 54.22 O ATOM 948 OD2 ASP A 454 4.310 -18.698 -5.643 1.00 45.30 O ATOM 0 H ASP A 454 5.077 -14.378 -5.207 1.00 10.44 H new ATOM 0 HA ASP A 454 5.214 -16.221 -3.367 1.00 52.24 H new ATOM 0 HB2 ASP A 454 5.842 -16.179 -6.288 1.00 55.54 H new ATOM 0 HB3 ASP A 454 6.478 -17.599 -5.482 1.00 55.54 H new ATOM 953 N ASN A 455 8.344 -16.470 -4.353 1.00 13.34 N ATOM 954 CA ASN A 455 9.649 -16.967 -3.877 1.00 43.02 C ATOM 955 C ASN A 455 10.793 -16.174 -4.525 1.00 52.12 C ATOM 956 O ASN A 455 10.682 -15.847 -5.700 1.00 73.32 O ATOM 957 CB ASN A 455 9.733 -18.471 -4.198 1.00 64.14 C ATOM 958 CG ASN A 455 10.311 -19.394 -3.094 1.00 13.15 C ATOM 959 OD1 ASN A 455 11.178 -19.009 -2.319 1.00 72.01 O ATOM 960 ND2 ASN A 455 9.824 -20.660 -3.043 1.00 64.44 N ATOM 0 H ASN A 455 8.324 -16.199 -5.336 1.00 13.34 H new ATOM 0 HA ASN A 455 9.745 -16.828 -2.800 1.00 43.02 H new ATOM 0 HB2 ASN A 455 8.730 -18.822 -4.443 1.00 64.14 H new ATOM 0 HB3 ASN A 455 10.341 -18.593 -5.094 1.00 64.14 H new ATOM 0 HD21 ASN A 455 10.180 -21.316 -2.348 1.00 64.44 H new ATOM 0 HD22 ASN A 455 9.102 -20.956 -3.700 1.00 64.44 H new ATOM 967 N PRO A 456 11.860 -15.792 -3.729 1.00 74.22 N ATOM 968 CA PRO A 456 13.037 -14.979 -4.153 1.00 14.31 C ATOM 969 C PRO A 456 13.632 -15.013 -5.618 1.00 65.35 C ATOM 970 O PRO A 456 14.421 -14.117 -5.905 1.00 54.22 O ATOM 971 CB PRO A 456 14.126 -15.379 -3.154 1.00 2.23 C ATOM 972 CG PRO A 456 13.419 -15.894 -1.936 1.00 42.43 C ATOM 973 CD PRO A 456 11.947 -15.987 -2.245 1.00 55.15 C ATOM 0 HA PRO A 456 12.667 -13.954 -4.166 1.00 14.31 H new ATOM 0 HB2 PRO A 456 14.778 -16.144 -3.576 1.00 2.23 H new ATOM 0 HB3 PRO A 456 14.756 -14.525 -2.905 1.00 2.23 H new ATOM 0 HG2 PRO A 456 13.810 -16.872 -1.655 1.00 42.43 H new ATOM 0 HG3 PRO A 456 13.588 -15.228 -1.090 1.00 42.43 H new ATOM 0 HD2 PRO A 456 11.540 -16.953 -1.947 1.00 55.15 H new ATOM 0 HD3 PRO A 456 11.381 -15.224 -1.711 1.00 55.15 H new ATOM 981 N VAL A 457 13.305 -15.971 -6.556 1.00 15.05 N ATOM 982 CA VAL A 457 13.868 -15.886 -7.929 1.00 25.44 C ATOM 983 C VAL A 457 13.185 -14.734 -8.709 1.00 73.31 C ATOM 984 O VAL A 457 13.723 -14.264 -9.716 1.00 22.54 O ATOM 985 CB VAL A 457 13.872 -17.231 -8.793 1.00 15.23 C ATOM 986 CG1 VAL A 457 14.577 -18.386 -8.085 1.00 74.52 C ATOM 987 CG2 VAL A 457 12.496 -17.694 -9.270 1.00 2.03 C ATOM 0 H VAL A 457 12.687 -16.765 -6.387 1.00 15.05 H new ATOM 0 HA VAL A 457 14.928 -15.685 -7.773 1.00 25.44 H new ATOM 0 HB VAL A 457 14.438 -16.951 -9.681 1.00 15.23 H new ATOM 0 HG11 VAL A 457 14.549 -19.273 -8.718 1.00 74.52 H new ATOM 0 HG12 VAL A 457 15.614 -18.114 -7.888 1.00 74.52 H new ATOM 0 HG13 VAL A 457 14.072 -18.597 -7.142 1.00 74.52 H new ATOM 0 HG21 VAL A 457 12.601 -18.613 -9.847 1.00 2.03 H new ATOM 0 HG22 VAL A 457 11.855 -17.878 -8.408 1.00 2.03 H new ATOM 0 HG23 VAL A 457 12.049 -16.922 -9.896 1.00 2.03 H new ATOM 997 N SER A 458 12.008 -14.286 -8.224 1.00 14.42 N ATOM 998 CA SER A 458 11.333 -13.115 -8.736 1.00 71.21 C ATOM 999 C SER A 458 11.740 -11.772 -8.005 1.00 32.11 C ATOM 1000 O SER A 458 11.455 -10.717 -8.580 1.00 23.41 O ATOM 1001 CB SER A 458 9.786 -13.370 -8.793 1.00 51.22 C ATOM 1002 OG SER A 458 9.296 -13.749 -7.513 1.00 13.42 O ATOM 0 H SER A 458 11.510 -14.743 -7.460 1.00 14.42 H new ATOM 0 HA SER A 458 11.676 -12.953 -9.758 1.00 71.21 H new ATOM 0 HB2 SER A 458 9.275 -12.469 -9.132 1.00 51.22 H new ATOM 0 HB3 SER A 458 9.567 -14.153 -9.519 1.00 51.22 H new ATOM 0 HG SER A 458 8.856 -12.982 -7.091 1.00 13.42 H new ATOM 1008 N ALA A 459 12.412 -11.729 -6.759 1.00 45.02 N ATOM 1009 CA ALA A 459 12.722 -10.389 -6.188 1.00 2.55 C ATOM 1010 C ALA A 459 13.889 -9.687 -6.876 1.00 43.45 C ATOM 1011 O ALA A 459 13.656 -8.690 -7.542 1.00 23.24 O ATOM 1012 CB ALA A 459 12.949 -10.369 -4.677 1.00 21.15 C ATOM 0 H ALA A 459 12.708 -12.535 -6.208 1.00 45.02 H new ATOM 0 HA ALA A 459 11.805 -9.834 -6.389 1.00 2.55 H new ATOM 0 HB1 ALA A 459 13.168 -9.351 -4.355 1.00 21.15 H new ATOM 0 HB2 ALA A 459 12.052 -10.725 -4.170 1.00 21.15 H new ATOM 0 HB3 ALA A 459 13.789 -11.017 -4.427 1.00 21.15 H new ATOM 1018 N GLN A 460 15.121 -10.222 -6.778 1.00 23.42 N ATOM 1019 CA GLN A 460 16.286 -9.621 -7.442 1.00 11.23 C ATOM 1020 C GLN A 460 16.152 -9.506 -8.989 1.00 64.01 C ATOM 1021 O GLN A 460 16.762 -8.594 -9.559 1.00 14.53 O ATOM 1022 CB GLN A 460 17.600 -10.295 -6.983 1.00 73.34 C ATOM 1023 CG GLN A 460 18.195 -9.702 -5.691 1.00 50.12 C ATOM 1024 CD GLN A 460 19.028 -10.709 -4.916 1.00 34.15 C ATOM 1025 OE1 GLN A 460 18.734 -11.901 -4.898 1.00 42.14 O ATOM 1026 NE2 GLN A 460 20.091 -10.233 -4.285 1.00 43.52 N ATOM 0 H GLN A 460 15.332 -11.067 -6.246 1.00 23.42 H new ATOM 0 HA GLN A 460 16.325 -8.583 -7.112 1.00 11.23 H new ATOM 0 HB2 GLN A 460 17.416 -11.358 -6.830 1.00 73.34 H new ATOM 0 HB3 GLN A 460 18.337 -10.210 -7.782 1.00 73.34 H new ATOM 0 HG2 GLN A 460 18.814 -8.841 -5.942 1.00 50.12 H new ATOM 0 HG3 GLN A 460 17.387 -9.339 -5.056 1.00 50.12 H new ATOM 0 HE21 GLN A 460 20.303 -9.236 -4.323 1.00 43.52 H new ATOM 0 HE22 GLN A 460 20.698 -10.864 -3.761 1.00 43.52 H new ATOM 1035 N ALA A 461 15.357 -10.374 -9.680 1.00 23.24 N ATOM 1036 CA ALA A 461 15.012 -10.078 -11.071 1.00 42.21 C ATOM 1037 C ALA A 461 13.965 -8.848 -11.355 1.00 12.41 C ATOM 1038 O ALA A 461 14.081 -8.278 -12.433 1.00 22.54 O ATOM 1039 CB ALA A 461 14.792 -11.408 -11.893 1.00 13.30 C ATOM 0 H ALA A 461 14.968 -11.239 -9.305 1.00 23.24 H new ATOM 0 HA ALA A 461 15.896 -9.597 -11.490 1.00 42.21 H new ATOM 0 HB1 ALA A 461 14.537 -11.161 -12.923 1.00 13.30 H new ATOM 0 HB2 ALA A 461 15.707 -12.001 -11.878 1.00 13.30 H new ATOM 0 HB3 ALA A 461 13.980 -11.982 -11.446 1.00 13.30 H new ATOM 1045 N ALA A 462 12.974 -8.393 -10.442 1.00 63.33 N ATOM 1046 CA ALA A 462 12.181 -7.079 -10.678 1.00 11.10 C ATOM 1047 C ALA A 462 12.828 -5.820 -10.049 1.00 63.24 C ATOM 1048 O ALA A 462 12.744 -4.748 -10.658 1.00 33.13 O ATOM 1049 CB ALA A 462 10.695 -7.148 -10.245 1.00 1.45 C ATOM 0 H ALA A 462 12.721 -8.888 -9.587 1.00 63.33 H new ATOM 0 HA ALA A 462 12.221 -6.978 -11.763 1.00 11.10 H new ATOM 0 HB1 ALA A 462 10.213 -6.191 -10.443 1.00 1.45 H new ATOM 0 HB2 ALA A 462 10.188 -7.932 -10.807 1.00 1.45 H new ATOM 0 HB3 ALA A 462 10.636 -7.370 -9.179 1.00 1.45 H new ATOM 1055 N ILE A 463 13.444 -5.945 -8.840 1.00 54.52 N ATOM 1056 CA ILE A 463 13.919 -4.787 -8.018 1.00 71.23 C ATOM 1057 C ILE A 463 14.912 -3.825 -8.785 1.00 11.24 C ATOM 1058 O ILE A 463 14.894 -2.621 -8.530 1.00 22.12 O ATOM 1059 CB ILE A 463 14.501 -5.278 -6.594 1.00 54.21 C ATOM 1060 CG1 ILE A 463 13.478 -6.192 -5.869 1.00 61.41 C ATOM 1061 CG2 ILE A 463 14.920 -4.154 -5.602 1.00 1.13 C ATOM 1062 CD1 ILE A 463 12.096 -5.606 -5.567 1.00 12.34 C ATOM 0 H ILE A 463 13.627 -6.849 -8.405 1.00 54.52 H new ATOM 0 HA ILE A 463 13.040 -4.173 -7.819 1.00 71.23 H new ATOM 0 HB ILE A 463 15.413 -5.809 -6.865 1.00 54.21 H new ATOM 0 HG12 ILE A 463 13.339 -7.087 -6.475 1.00 61.41 H new ATOM 0 HG13 ILE A 463 13.921 -6.511 -4.926 1.00 61.41 H new ATOM 0 HG21 ILE A 463 15.295 -4.602 -4.682 1.00 1.13 H new ATOM 0 HG22 ILE A 463 15.702 -3.543 -6.053 1.00 1.13 H new ATOM 0 HG23 ILE A 463 14.057 -3.528 -5.375 1.00 1.13 H new ATOM 0 HD11 ILE A 463 11.487 -6.354 -5.060 1.00 12.34 H new ATOM 0 HD12 ILE A 463 12.204 -4.731 -4.927 1.00 12.34 H new ATOM 0 HD13 ILE A 463 11.612 -5.316 -6.500 1.00 12.34 H new ATOM 1074 N GLN A 464 15.753 -4.338 -9.736 1.00 41.20 N ATOM 1075 CA GLN A 464 16.635 -3.472 -10.558 1.00 53.31 C ATOM 1076 C GLN A 464 16.039 -2.955 -11.952 1.00 53.22 C ATOM 1077 O GLN A 464 16.496 -1.900 -12.402 1.00 74.35 O ATOM 1078 CB GLN A 464 18.096 -4.069 -10.681 1.00 21.14 C ATOM 1079 CG GLN A 464 18.836 -4.301 -9.335 1.00 42.44 C ATOM 1080 CD GLN A 464 18.767 -3.132 -8.365 1.00 34.14 C ATOM 1081 OE1 GLN A 464 18.748 -1.967 -8.750 1.00 12.15 O ATOM 1082 NE2 GLN A 464 18.700 -3.455 -7.089 1.00 42.34 N ATOM 0 H GLN A 464 15.832 -5.333 -9.944 1.00 41.20 H new ATOM 0 HA GLN A 464 16.698 -2.546 -9.986 1.00 53.31 H new ATOM 0 HB2 GLN A 464 18.039 -5.019 -11.213 1.00 21.14 H new ATOM 0 HB3 GLN A 464 18.695 -3.396 -11.294 1.00 21.14 H new ATOM 0 HG2 GLN A 464 18.415 -5.183 -8.851 1.00 42.44 H new ATOM 0 HG3 GLN A 464 19.883 -4.521 -9.544 1.00 42.44 H new ATOM 0 HE21 GLN A 464 18.719 -4.436 -6.810 1.00 42.34 H new ATOM 0 HE22 GLN A 464 18.629 -2.724 -6.381 1.00 42.34 H new ATOM 1091 N ALA A 465 15.050 -3.649 -12.653 1.00 43.14 N ATOM 1092 CA ALA A 465 14.321 -3.067 -13.862 1.00 40.41 C ATOM 1093 C ALA A 465 13.478 -1.783 -13.572 1.00 63.11 C ATOM 1094 O ALA A 465 13.020 -1.115 -14.503 1.00 52.12 O ATOM 1095 CB ALA A 465 13.413 -4.119 -14.576 1.00 43.32 C ATOM 0 H ALA A 465 14.747 -4.591 -12.406 1.00 43.14 H new ATOM 0 HA ALA A 465 15.137 -2.771 -14.522 1.00 40.41 H new ATOM 0 HB1 ALA A 465 12.918 -3.654 -15.428 1.00 43.32 H new ATOM 0 HB2 ALA A 465 14.025 -4.952 -14.922 1.00 43.32 H new ATOM 0 HB3 ALA A 465 12.662 -4.486 -13.876 1.00 43.32 H new ATOM 1101 N MET A 466 13.283 -1.454 -12.297 1.00 43.11 N ATOM 1102 CA MET A 466 12.382 -0.361 -11.869 1.00 72.40 C ATOM 1103 C MET A 466 13.134 0.618 -10.922 1.00 15.04 C ATOM 1104 O MET A 466 12.506 1.372 -10.183 1.00 53.53 O ATOM 1105 CB MET A 466 11.124 -0.988 -11.188 1.00 34.44 C ATOM 1106 CG MET A 466 9.760 -0.279 -11.416 1.00 45.21 C ATOM 1107 SD MET A 466 8.706 -1.139 -12.609 1.00 53.42 S ATOM 1108 CE MET A 466 9.560 -0.866 -14.162 1.00 30.42 C ATOM 0 H MET A 466 13.742 -1.933 -11.522 1.00 43.11 H new ATOM 0 HA MET A 466 12.055 0.221 -12.730 1.00 72.40 H new ATOM 0 HB2 MET A 466 11.031 -2.017 -11.535 1.00 34.44 H new ATOM 0 HB3 MET A 466 11.307 -1.029 -10.114 1.00 34.44 H new ATOM 0 HG2 MET A 466 9.234 -0.201 -10.465 1.00 45.21 H new ATOM 0 HG3 MET A 466 9.939 0.738 -11.765 1.00 45.21 H new ATOM 0 HE1 MET A 466 8.940 -1.222 -14.985 1.00 30.42 H new ATOM 0 HE2 MET A 466 9.755 0.199 -14.288 1.00 30.42 H new ATOM 0 HE3 MET A 466 10.505 -1.409 -14.158 1.00 30.42 H new ATOM 1118 N ASN A 467 14.485 0.597 -10.939 1.00 50.41 N ATOM 1119 CA ASN A 467 15.310 1.392 -9.991 1.00 3.20 C ATOM 1120 C ASN A 467 15.509 2.852 -10.519 1.00 1.54 C ATOM 1121 O ASN A 467 16.207 2.996 -11.532 1.00 2.25 O ATOM 1122 CB ASN A 467 16.694 0.706 -9.827 1.00 63.24 C ATOM 1123 CG ASN A 467 17.490 1.173 -8.590 1.00 25.33 C ATOM 1124 OD1 ASN A 467 18.712 1.280 -8.659 1.00 41.51 O ATOM 1125 ND2 ASN A 467 16.843 1.413 -7.433 1.00 33.33 N ATOM 0 H ASN A 467 15.031 0.040 -11.597 1.00 50.41 H new ATOM 0 HA ASN A 467 14.798 1.440 -9.030 1.00 3.20 H new ATOM 0 HB2 ASN A 467 16.547 -0.372 -9.765 1.00 63.24 H new ATOM 0 HB3 ASN A 467 17.289 0.896 -10.720 1.00 63.24 H new ATOM 0 HD21 ASN A 467 17.368 1.687 -6.602 1.00 33.33 H new ATOM 0 HD22 ASN A 467 15.828 1.321 -7.388 1.00 33.33 H new ATOM 1132 N GLY A 468 14.926 3.956 -9.903 1.00 32.01 N ATOM 1133 CA GLY A 468 15.279 5.293 -10.405 1.00 63.41 C ATOM 1134 C GLY A 468 14.598 5.695 -11.716 1.00 32.05 C ATOM 1135 O GLY A 468 15.103 6.570 -12.422 1.00 42.11 O ATOM 0 H GLY A 468 14.267 3.927 -9.125 1.00 32.01 H new ATOM 0 HA2 GLY A 468 15.026 6.029 -9.642 1.00 63.41 H new ATOM 0 HA3 GLY A 468 16.359 5.338 -10.546 1.00 63.41 H new ATOM 1139 N PHE A 469 13.473 5.079 -12.044 1.00 5.22 N ATOM 1140 CA PHE A 469 13.019 5.028 -13.432 1.00 45.40 C ATOM 1141 C PHE A 469 11.983 6.154 -13.592 1.00 1.05 C ATOM 1142 O PHE A 469 10.914 6.085 -12.979 1.00 63.52 O ATOM 1143 CB PHE A 469 12.465 3.563 -13.740 1.00 63.43 C ATOM 1144 CG PHE A 469 11.814 3.321 -15.097 1.00 23.23 C ATOM 1145 CD1 PHE A 469 12.509 3.487 -16.296 1.00 22.53 C ATOM 1146 CD2 PHE A 469 10.503 2.881 -15.163 1.00 11.21 C ATOM 1147 CE1 PHE A 469 11.893 3.230 -17.506 1.00 11.21 C ATOM 1148 CE2 PHE A 469 9.890 2.624 -16.364 1.00 43.30 C ATOM 1149 CZ PHE A 469 10.581 2.796 -17.540 1.00 30.15 C ATOM 0 H PHE A 469 12.860 4.610 -11.377 1.00 5.22 H new ATOM 0 HA PHE A 469 13.812 5.197 -14.161 1.00 45.40 H new ATOM 0 HB2 PHE A 469 13.294 2.863 -13.636 1.00 63.43 H new ATOM 0 HB3 PHE A 469 11.737 3.311 -12.969 1.00 63.43 H new ATOM 0 HD1 PHE A 469 13.537 3.819 -16.278 1.00 22.53 H new ATOM 0 HD2 PHE A 469 9.949 2.736 -14.247 1.00 11.21 H new ATOM 0 HE1 PHE A 469 12.438 3.369 -18.428 1.00 11.21 H new ATOM 0 HE2 PHE A 469 8.864 2.286 -16.385 1.00 43.30 H new ATOM 0 HZ PHE A 469 10.101 2.593 -18.486 1.00 30.15 H new ATOM 1159 N GLN A 470 12.304 7.235 -14.358 1.00 71.24 N ATOM 1160 CA GLN A 470 11.430 8.405 -14.368 1.00 10.51 C ATOM 1161 C GLN A 470 10.142 8.168 -15.157 1.00 65.34 C ATOM 1162 O GLN A 470 10.174 7.722 -16.305 1.00 5.33 O ATOM 1163 CB GLN A 470 12.198 9.608 -14.922 1.00 2.34 C ATOM 1164 CG GLN A 470 12.810 10.520 -13.850 1.00 14.21 C ATOM 1165 CD GLN A 470 11.852 11.598 -13.326 1.00 43.20 C ATOM 1166 OE1 GLN A 470 10.550 11.388 -13.447 1.00 33.40 O flip ATOM 1167 NE2 GLN A 470 12.298 12.638 -12.856 1.00 43.15 N flip ATOM 0 H GLN A 470 13.132 7.305 -14.949 1.00 71.24 H new ATOM 0 HA GLN A 470 11.126 8.606 -13.341 1.00 10.51 H new ATOM 0 HB2 GLN A 470 12.995 9.246 -15.572 1.00 2.34 H new ATOM 0 HB3 GLN A 470 11.524 10.199 -15.542 1.00 2.34 H new ATOM 0 HG2 GLN A 470 13.143 9.907 -13.013 1.00 14.21 H new ATOM 0 HG3 GLN A 470 13.695 11.004 -14.262 1.00 14.21 H new ATOM 0 HE21 GLN A 470 13.306 12.770 -12.776 1.00 43.15 H new ATOM 0 HE22 GLN A 470 11.661 13.371 -12.545 1.00 43.15 H new ATOM 1176 N ILE A 471 9.005 8.463 -14.513 1.00 0.04 N ATOM 1177 CA ILE A 471 7.689 8.275 -15.101 1.00 62.44 C ATOM 1178 C ILE A 471 6.878 9.568 -14.750 1.00 13.40 C ATOM 1179 O ILE A 471 6.408 9.678 -13.614 1.00 32.30 O ATOM 1180 CB ILE A 471 6.983 6.926 -14.541 1.00 21.15 C ATOM 1181 CG1 ILE A 471 7.634 5.623 -15.141 1.00 62.22 C ATOM 1182 CG2 ILE A 471 5.460 6.895 -14.761 1.00 72.10 C ATOM 1183 CD1 ILE A 471 6.880 4.301 -14.882 1.00 72.42 C ATOM 0 H ILE A 471 8.981 8.840 -13.566 1.00 0.04 H new ATOM 0 HA ILE A 471 7.742 8.138 -16.181 1.00 62.44 H new ATOM 0 HB ILE A 471 7.158 6.945 -13.465 1.00 21.15 H new ATOM 0 HG12 ILE A 471 7.733 5.755 -16.218 1.00 62.22 H new ATOM 0 HG13 ILE A 471 8.642 5.527 -14.737 1.00 62.22 H new ATOM 0 HG21 ILE A 471 5.054 5.965 -14.363 1.00 72.10 H new ATOM 0 HG22 ILE A 471 5.001 7.741 -14.249 1.00 72.10 H new ATOM 0 HG23 ILE A 471 5.245 6.957 -15.828 1.00 72.10 H new ATOM 0 HD11 ILE A 471 7.423 3.476 -15.342 1.00 72.42 H new ATOM 0 HD12 ILE A 471 6.803 4.130 -13.808 1.00 72.42 H new ATOM 0 HD13 ILE A 471 5.880 4.362 -15.312 1.00 72.42 H new ATOM 1195 N GLY A 472 6.818 10.622 -15.640 1.00 24.04 N ATOM 1196 CA GLY A 472 6.001 11.794 -15.309 1.00 44.01 C ATOM 1197 C GLY A 472 6.713 12.725 -14.350 1.00 11.01 C ATOM 1198 O GLY A 472 7.879 13.062 -14.545 1.00 51.14 O ATOM 0 H GLY A 472 7.304 10.664 -16.536 1.00 24.04 H new ATOM 0 HA2 GLY A 472 5.753 12.334 -16.223 1.00 44.01 H new ATOM 0 HA3 GLY A 472 5.060 11.467 -14.867 1.00 44.01 H new ATOM 1202 N MET A 473 6.011 13.098 -13.292 1.00 54.40 N ATOM 1203 CA MET A 473 6.549 14.025 -12.284 1.00 52.44 C ATOM 1204 C MET A 473 7.191 13.315 -11.063 1.00 75.40 C ATOM 1205 O MET A 473 7.569 13.989 -10.099 1.00 13.20 O ATOM 1206 CB MET A 473 5.462 15.046 -11.819 1.00 41.45 C ATOM 1207 CG MET A 473 4.068 14.454 -11.602 1.00 4.54 C ATOM 1208 SD MET A 473 3.149 15.256 -10.271 1.00 43.43 S ATOM 1209 CE MET A 473 2.801 16.870 -10.974 1.00 22.11 C ATOM 0 H MET A 473 5.062 12.777 -13.100 1.00 54.40 H new ATOM 0 HA MET A 473 7.355 14.565 -12.781 1.00 52.44 H new ATOM 0 HB2 MET A 473 5.793 15.507 -10.889 1.00 41.45 H new ATOM 0 HB3 MET A 473 5.391 15.841 -12.561 1.00 41.45 H new ATOM 0 HG2 MET A 473 3.498 14.536 -12.528 1.00 4.54 H new ATOM 0 HG3 MET A 473 4.163 13.391 -11.379 1.00 4.54 H new ATOM 0 HE1 MET A 473 2.238 17.466 -10.256 1.00 22.11 H new ATOM 0 HE2 MET A 473 3.738 17.374 -11.209 1.00 22.11 H new ATOM 0 HE3 MET A 473 2.215 16.751 -11.885 1.00 22.11 H new ATOM 1219 N LYS A 474 7.346 11.968 -11.089 1.00 34.23 N ATOM 1220 CA LYS A 474 7.980 11.244 -9.926 1.00 51.42 C ATOM 1221 C LYS A 474 8.931 10.121 -10.434 1.00 50.03 C ATOM 1222 O LYS A 474 8.813 9.704 -11.586 1.00 63.01 O ATOM 1223 CB LYS A 474 6.948 10.573 -8.942 1.00 34.04 C ATOM 1224 CG LYS A 474 5.711 11.372 -8.423 1.00 53.33 C ATOM 1225 CD LYS A 474 6.010 12.524 -7.430 1.00 44.32 C ATOM 1226 CE LYS A 474 4.851 12.737 -6.448 1.00 12.12 C ATOM 1227 NZ LYS A 474 5.024 13.984 -5.654 1.00 5.52 N ATOM 0 H LYS A 474 7.058 11.369 -11.863 1.00 34.23 H new ATOM 0 HA LYS A 474 8.518 12.018 -9.378 1.00 51.42 H new ATOM 0 HB2 LYS A 474 6.569 9.678 -9.435 1.00 34.04 H new ATOM 0 HB3 LYS A 474 7.507 10.242 -8.067 1.00 34.04 H new ATOM 0 HG2 LYS A 474 5.186 11.788 -9.283 1.00 53.33 H new ATOM 0 HG3 LYS A 474 5.028 10.672 -7.941 1.00 53.33 H new ATOM 0 HD2 LYS A 474 6.921 12.300 -6.875 1.00 44.32 H new ATOM 0 HD3 LYS A 474 6.192 13.445 -7.984 1.00 44.32 H new ATOM 0 HE2 LYS A 474 3.911 12.784 -6.999 1.00 12.12 H new ATOM 0 HE3 LYS A 474 4.783 11.883 -5.774 1.00 12.12 H new ATOM 0 HZ1 LYS A 474 4.222 14.094 -5.002 1.00 5.52 H new ATOM 0 HZ2 LYS A 474 5.908 13.929 -5.109 1.00 5.52 H new ATOM 0 HZ3 LYS A 474 5.063 14.801 -6.296 1.00 5.52 H new ATOM 1241 N ARG A 475 9.849 9.602 -9.566 1.00 31.12 N ATOM 1242 CA ARG A 475 10.683 8.424 -9.939 1.00 2.34 C ATOM 1243 C ARG A 475 10.429 7.263 -8.954 1.00 64.12 C ATOM 1244 O ARG A 475 10.163 7.509 -7.772 1.00 0.43 O ATOM 1245 CB ARG A 475 12.217 8.789 -10.004 1.00 1.11 C ATOM 1246 CG ARG A 475 12.988 8.969 -8.647 1.00 54.43 C ATOM 1247 CD ARG A 475 12.987 10.394 -8.030 1.00 0.02 C ATOM 1248 NE ARG A 475 14.136 11.170 -8.486 1.00 62.54 N ATOM 1249 CZ ARG A 475 15.032 11.761 -7.679 1.00 74.25 C ATOM 1250 NH1 ARG A 475 14.921 11.702 -6.350 1.00 0.44 N ATOM 1251 NH2 ARG A 475 16.073 12.384 -8.201 1.00 34.44 N ATOM 0 H ARG A 475 10.026 9.969 -8.631 1.00 31.12 H new ATOM 0 HA ARG A 475 10.390 8.106 -10.940 1.00 2.34 H new ATOM 0 HB2 ARG A 475 12.722 8.010 -10.575 1.00 1.11 H new ATOM 0 HB3 ARG A 475 12.317 9.715 -10.571 1.00 1.11 H new ATOM 0 HG2 ARG A 475 12.559 8.282 -7.918 1.00 54.43 H new ATOM 0 HG3 ARG A 475 14.023 8.665 -8.801 1.00 54.43 H new ATOM 0 HD2 ARG A 475 12.066 10.910 -8.302 1.00 0.02 H new ATOM 0 HD3 ARG A 475 13.003 10.322 -6.943 1.00 0.02 H new ATOM 0 HE ARG A 475 14.268 11.271 -9.492 1.00 62.54 H new ATOM 0 HH11 ARG A 475 14.142 11.199 -5.925 1.00 0.44 H new ATOM 0 HH12 ARG A 475 15.615 12.160 -5.759 1.00 0.44 H new ATOM 0 HH21 ARG A 475 16.194 12.415 -9.213 1.00 34.44 H new ATOM 0 HH22 ARG A 475 16.756 12.834 -7.592 1.00 34.44 H new ATOM 1265 N LEU A 476 10.496 5.998 -9.432 1.00 51.24 N ATOM 1266 CA LEU A 476 10.230 4.839 -8.514 1.00 44.11 C ATOM 1267 C LEU A 476 11.590 4.376 -7.872 1.00 3.31 C ATOM 1268 O LEU A 476 12.418 3.845 -8.585 1.00 33.21 O ATOM 1269 CB LEU A 476 9.538 3.597 -9.252 1.00 40.01 C ATOM 1270 CG LEU A 476 8.042 3.663 -9.789 1.00 21.20 C ATOM 1271 CD1 LEU A 476 7.045 4.135 -8.740 1.00 63.20 C ATOM 1272 CD2 LEU A 476 7.907 4.518 -11.052 1.00 32.14 C ATOM 0 H LEU A 476 10.719 5.749 -10.396 1.00 51.24 H new ATOM 0 HA LEU A 476 9.530 5.181 -7.752 1.00 44.11 H new ATOM 0 HB2 LEU A 476 10.168 3.348 -10.106 1.00 40.01 H new ATOM 0 HB3 LEU A 476 9.588 2.754 -8.563 1.00 40.01 H new ATOM 0 HG LEU A 476 7.796 2.631 -10.041 1.00 21.20 H new ATOM 0 HD11 LEU A 476 6.045 4.157 -9.173 1.00 63.20 H new ATOM 0 HD12 LEU A 476 7.059 3.451 -7.891 1.00 63.20 H new ATOM 0 HD13 LEU A 476 7.317 5.136 -8.404 1.00 63.20 H new ATOM 0 HD21 LEU A 476 6.866 4.528 -11.375 1.00 32.14 H new ATOM 0 HD22 LEU A 476 8.231 5.537 -10.838 1.00 32.14 H new ATOM 0 HD23 LEU A 476 8.528 4.099 -11.843 1.00 32.14 H new ATOM 1284 N LYS A 477 11.844 4.593 -6.536 1.00 13.10 N ATOM 1285 CA LYS A 477 13.134 4.147 -5.886 1.00 33.24 C ATOM 1286 C LYS A 477 12.931 2.868 -4.979 1.00 42.25 C ATOM 1287 O LYS A 477 12.159 2.950 -4.026 1.00 41.23 O ATOM 1288 CB LYS A 477 13.621 5.359 -5.032 1.00 61.01 C ATOM 1289 CG LYS A 477 15.103 5.765 -5.170 1.00 21.12 C ATOM 1290 CD LYS A 477 16.078 4.836 -4.438 1.00 72.03 C ATOM 1291 CE LYS A 477 17.526 5.241 -4.719 1.00 14.03 C ATOM 1292 NZ LYS A 477 18.495 4.581 -3.803 1.00 2.32 N ATOM 0 H LYS A 477 11.195 5.060 -5.903 1.00 13.10 H new ATOM 0 HA LYS A 477 13.866 3.860 -6.641 1.00 33.24 H new ATOM 0 HB2 LYS A 477 13.008 6.223 -5.290 1.00 61.01 H new ATOM 0 HB3 LYS A 477 13.428 5.133 -3.983 1.00 61.01 H new ATOM 0 HG2 LYS A 477 15.365 5.788 -6.228 1.00 21.12 H new ATOM 0 HG3 LYS A 477 15.228 6.778 -4.788 1.00 21.12 H new ATOM 0 HD2 LYS A 477 15.887 4.872 -3.366 1.00 72.03 H new ATOM 0 HD3 LYS A 477 15.915 3.806 -4.756 1.00 72.03 H new ATOM 0 HE2 LYS A 477 17.776 4.988 -5.749 1.00 14.03 H new ATOM 0 HE3 LYS A 477 17.621 6.323 -4.624 1.00 14.03 H new ATOM 0 HZ1 LYS A 477 19.460 4.890 -4.037 1.00 2.32 H new ATOM 0 HZ2 LYS A 477 18.277 4.842 -2.820 1.00 2.32 H new ATOM 0 HZ3 LYS A 477 18.427 3.549 -3.911 1.00 2.32 H new ATOM 1306 N VAL A 478 13.595 1.671 -5.257 1.00 40.44 N ATOM 1307 CA VAL A 478 13.228 0.420 -4.532 1.00 13.12 C ATOM 1308 C VAL A 478 14.465 -0.501 -4.212 1.00 30.03 C ATOM 1309 O VAL A 478 15.488 -0.404 -4.894 1.00 11.45 O ATOM 1310 CB VAL A 478 12.028 -0.303 -5.248 1.00 55.35 C ATOM 1311 CG1 VAL A 478 12.322 -1.713 -5.697 1.00 43.33 C ATOM 1312 CG2 VAL A 478 10.818 -0.322 -4.339 1.00 32.41 C ATOM 0 H VAL A 478 14.343 1.569 -5.943 1.00 40.44 H new ATOM 0 HA VAL A 478 12.867 0.696 -3.541 1.00 13.12 H new ATOM 0 HB VAL A 478 11.840 0.278 -6.151 1.00 55.35 H new ATOM 0 HG11 VAL A 478 11.439 -2.133 -6.180 1.00 43.33 H new ATOM 0 HG12 VAL A 478 13.152 -1.704 -6.403 1.00 43.33 H new ATOM 0 HG13 VAL A 478 12.587 -2.322 -4.833 1.00 43.33 H new ATOM 0 HG21 VAL A 478 9.992 -0.824 -4.843 1.00 32.41 H new ATOM 0 HG22 VAL A 478 11.061 -0.856 -3.420 1.00 32.41 H new ATOM 0 HG23 VAL A 478 10.528 0.701 -4.098 1.00 32.41 H new ATOM 1322 N GLN A 479 14.364 -1.382 -3.161 1.00 23.53 N ATOM 1323 CA GLN A 479 15.540 -2.135 -2.611 1.00 23.40 C ATOM 1324 C GLN A 479 15.084 -3.467 -1.902 1.00 50.22 C ATOM 1325 O GLN A 479 13.886 -3.629 -1.654 1.00 14.41 O ATOM 1326 CB GLN A 479 16.357 -1.255 -1.637 1.00 22.31 C ATOM 1327 CG GLN A 479 17.877 -1.470 -1.744 1.00 73.45 C ATOM 1328 CD GLN A 479 18.469 -2.350 -0.649 1.00 44.31 C ATOM 1329 OE1 GLN A 479 18.036 -2.319 0.494 1.00 71.22 O ATOM 1330 NE2 GLN A 479 19.439 -3.180 -1.011 1.00 34.45 N ATOM 0 H GLN A 479 13.486 -1.585 -2.683 1.00 23.53 H new ATOM 0 HA GLN A 479 16.181 -2.401 -3.451 1.00 23.40 H new ATOM 0 HB2 GLN A 479 16.132 -0.206 -1.831 1.00 22.31 H new ATOM 0 HB3 GLN A 479 16.039 -1.466 -0.616 1.00 22.31 H new ATOM 0 HG2 GLN A 479 18.101 -1.917 -2.713 1.00 73.45 H new ATOM 0 HG3 GLN A 479 18.371 -0.499 -1.719 1.00 73.45 H new ATOM 0 HE21 GLN A 479 19.777 -3.180 -1.973 1.00 34.45 H new ATOM 0 HE22 GLN A 479 19.846 -3.818 -0.327 1.00 34.45 H new ATOM 1339 N LEU A 480 16.051 -4.415 -1.585 1.00 62.12 N ATOM 1340 CA LEU A 480 15.758 -5.651 -0.710 1.00 72.30 C ATOM 1341 C LEU A 480 15.396 -5.090 0.702 1.00 61.13 C ATOM 1342 O LEU A 480 15.818 -3.964 0.975 1.00 34.15 O ATOM 1343 CB LEU A 480 17.049 -6.585 -0.610 1.00 65.04 C ATOM 1344 CG LEU A 480 16.967 -8.173 -0.468 1.00 54.01 C ATOM 1345 CD1 LEU A 480 17.421 -8.840 -1.764 1.00 73.24 C ATOM 1346 CD2 LEU A 480 17.906 -8.616 0.659 1.00 2.11 C ATOM 0 H LEU A 480 17.017 -4.359 -1.908 1.00 62.12 H new ATOM 0 HA LEU A 480 14.953 -6.255 -1.129 1.00 72.30 H new ATOM 0 HB2 LEU A 480 17.645 -6.385 -1.501 1.00 65.04 H new ATOM 0 HB3 LEU A 480 17.623 -6.228 0.245 1.00 65.04 H new ATOM 0 HG LEU A 480 15.938 -8.461 -0.251 1.00 54.01 H new ATOM 0 HD11 LEU A 480 17.361 -9.923 -1.656 1.00 73.24 H new ATOM 0 HD12 LEU A 480 16.776 -8.521 -2.583 1.00 73.24 H new ATOM 0 HD13 LEU A 480 18.450 -8.553 -1.980 1.00 73.24 H new ATOM 0 HD21 LEU A 480 17.859 -9.700 0.767 1.00 2.11 H new ATOM 0 HD22 LEU A 480 18.927 -8.319 0.420 1.00 2.11 H new ATOM 0 HD23 LEU A 480 17.600 -8.145 1.593 1.00 2.11 H new ATOM 1358 N LYS A 481 14.591 -5.780 1.589 1.00 13.51 N ATOM 1359 CA LYS A 481 14.238 -5.111 2.869 1.00 33.31 C ATOM 1360 C LYS A 481 15.467 -4.888 3.717 1.00 41.30 C ATOM 1361 O LYS A 481 16.243 -5.808 4.031 1.00 11.42 O ATOM 1362 CB LYS A 481 12.980 -5.669 3.683 1.00 71.10 C ATOM 1363 CG LYS A 481 13.080 -6.711 4.930 1.00 53.25 C ATOM 1364 CD LYS A 481 13.935 -6.264 6.181 1.00 14.42 C ATOM 1365 CE LYS A 481 13.945 -7.279 7.358 1.00 73.40 C ATOM 1366 NZ LYS A 481 14.798 -6.789 8.463 1.00 71.34 N ATOM 0 H LYS A 481 14.211 -6.716 1.449 1.00 13.51 H new ATOM 0 HA LYS A 481 13.845 -4.143 2.557 1.00 33.31 H new ATOM 0 HB2 LYS A 481 12.453 -4.794 4.062 1.00 71.10 H new ATOM 0 HB3 LYS A 481 12.328 -6.140 2.947 1.00 71.10 H new ATOM 0 HG2 LYS A 481 12.068 -6.925 5.273 1.00 53.25 H new ATOM 0 HG3 LYS A 481 13.494 -7.647 4.555 1.00 53.25 H new ATOM 0 HD2 LYS A 481 14.962 -6.092 5.859 1.00 14.42 H new ATOM 0 HD3 LYS A 481 13.551 -5.311 6.544 1.00 14.42 H new ATOM 0 HE2 LYS A 481 12.928 -7.436 7.719 1.00 73.40 H new ATOM 0 HE3 LYS A 481 14.312 -8.244 7.009 1.00 73.40 H new ATOM 0 HZ1 LYS A 481 14.792 -7.481 9.239 1.00 71.34 H new ATOM 0 HZ2 LYS A 481 15.772 -6.662 8.120 1.00 71.34 H new ATOM 0 HZ3 LYS A 481 14.431 -5.879 8.807 1.00 71.34 H new ATOM 1380 N ARG A 482 15.682 -3.609 3.927 1.00 1.03 N ATOM 1381 CA ARG A 482 16.699 -3.090 4.784 1.00 74.50 C ATOM 1382 C ARG A 482 16.060 -2.796 6.142 1.00 75.43 C ATOM 1383 O ARG A 482 14.821 -2.713 6.214 1.00 45.45 O ATOM 1384 CB ARG A 482 17.311 -1.829 4.107 1.00 2.40 C ATOM 1385 CG ARG A 482 16.374 -0.608 3.857 1.00 1.44 C ATOM 1386 CD ARG A 482 15.522 -0.673 2.567 1.00 42.45 C ATOM 1387 NE ARG A 482 14.802 0.586 2.325 1.00 73.53 N ATOM 1388 CZ ARG A 482 13.880 0.765 1.367 1.00 60.33 C ATOM 1389 NH1 ARG A 482 13.515 -0.230 0.558 1.00 10.53 N ATOM 1390 NH2 ARG A 482 13.286 1.949 1.234 1.00 44.10 N ATOM 0 H ARG A 482 15.124 -2.880 3.482 1.00 1.03 H new ATOM 0 HA ARG A 482 17.513 -3.796 4.947 1.00 74.50 H new ATOM 0 HB2 ARG A 482 18.145 -1.490 4.722 1.00 2.40 H new ATOM 0 HB3 ARG A 482 17.727 -2.134 3.147 1.00 2.40 H new ATOM 0 HG2 ARG A 482 15.703 -0.507 4.710 1.00 1.44 H new ATOM 0 HG3 ARG A 482 16.984 0.295 3.823 1.00 1.44 H new ATOM 0 HD2 ARG A 482 16.167 -0.892 1.716 1.00 42.45 H new ATOM 0 HD3 ARG A 482 14.807 -1.492 2.644 1.00 42.45 H new ATOM 0 HE ARG A 482 15.019 1.379 2.928 1.00 73.53 H new ATOM 0 HH11 ARG A 482 13.939 -1.152 0.660 1.00 10.53 H new ATOM 0 HH12 ARG A 482 12.812 -0.069 -0.163 1.00 10.53 H new ATOM 0 HH21 ARG A 482 13.532 2.716 1.859 1.00 44.10 H new ATOM 0 HH22 ARG A 482 12.585 2.089 0.507 1.00 44.10 H new ATOM 1404 N SER A 483 16.879 -2.729 7.214 1.00 34.02 N ATOM 1405 CA SER A 483 16.380 -2.498 8.591 1.00 53.20 C ATOM 1406 C SER A 483 15.423 -1.273 8.691 1.00 40.24 C ATOM 1407 O SER A 483 15.757 -0.191 8.197 1.00 41.31 O ATOM 1408 CB SER A 483 17.614 -2.330 9.518 1.00 14.50 C ATOM 1409 OG SER A 483 18.420 -3.501 9.481 1.00 51.30 O ATOM 0 H SER A 483 17.892 -2.832 7.154 1.00 34.02 H new ATOM 0 HA SER A 483 15.781 -3.354 8.901 1.00 53.20 H new ATOM 0 HB2 SER A 483 18.200 -1.467 9.203 1.00 14.50 H new ATOM 0 HB3 SER A 483 17.287 -2.137 10.540 1.00 14.50 H new ATOM 0 HG SER A 483 19.196 -3.383 10.068 1.00 51.30 H new