USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 576 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 476 GLN : amide:sc= -0.32 X(o=-0.11,f=0.37) USER MOD Set 1.2: A 497 SER OG : rot 127:sc= 0.21 USER MOD Set 2.1: A 496 TYR OH : rot 165:sc= 0.0333 USER MOD Set 2.2: A 505 TYR OH : rot 153:sc= 1.25 USER MOD Set 3.1: A 464 TYR OH : rot -162:sc= 0.00527 USER MOD Set 3.2: A 506 THR OG1 : rot 180:sc= 0.00585 USER MOD Single : A 424 ASN : amide:sc= -1.85 X(o=-1.9,f=-1.5) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 429 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 430 TYR OH : rot 39:sc= -0.655! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -158:sc= 1.18 (180deg=1.12) USER MOD Single : A 435 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.4!) USER MOD Single : A 436 SER OG : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -10.2! C(o=-10!,f=-9.5!) USER MOD Single : A 441 TYR OH : rot 180:sc= -0.697 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -141:sc= 0.16! USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -151:sc= -10.2! (180deg=-13.3!) USER MOD Single : A 457 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.021) USER MOD Single : A 462 SER OG : rot 68:sc= 1.12 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 91:sc= 0.983 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -6.04! C(o=-6!,f=-5.7!) USER MOD Single : A 495 ASN : amide:sc= -3.65! C(o=-3.6!,f=-2.4!) USER MOD Single : A 499 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 503 SER OG : rot 180:sc= -0.667 USER MOD Single : A 504 THR OG1 : rot 12:sc= -1.56 USER MOD Single : A 515 THR OG1 : rot 44:sc= 0.499 USER MOD Single : A 517 THR OG1 : rot -178:sc= -1.5! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.599 -2.722 13.108 1.00 0.00 N ATOM 37 CA ASN A 424 -9.307 -2.071 12.967 1.00 0.00 C ATOM 38 C ASN A 424 -9.172 -1.516 11.548 1.00 0.00 C ATOM 39 O ASN A 424 -9.798 -2.022 10.617 1.00 0.00 O ATOM 40 CB ASN A 424 -8.163 -3.060 13.199 1.00 0.00 C ATOM 41 CG ASN A 424 -8.065 -3.448 14.676 1.00 0.00 C ATOM 42 OD1 ASN A 424 -8.454 -4.528 15.088 1.00 0.00 O ATOM 43 ND2 ASN A 424 -7.524 -2.509 15.447 1.00 0.00 N ATOM 0 HA ASN A 424 -9.249 -1.273 13.708 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.321 -3.953 12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.222 -2.617 12.873 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -7.414 -2.672 16.448 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -7.219 -1.626 15.037 1.00 0.00 H new ATOM 50 N LYS A 425 -8.352 -0.483 11.426 1.00 0.00 N ATOM 51 CA LYS A 425 -8.127 0.147 10.136 1.00 0.00 C ATOM 52 C LYS A 425 -6.622 0.235 9.871 1.00 0.00 C ATOM 53 O LYS A 425 -5.835 0.420 10.798 1.00 0.00 O ATOM 54 CB LYS A 425 -8.844 1.497 10.066 1.00 0.00 C ATOM 55 CG LYS A 425 -8.713 2.115 8.672 1.00 0.00 C ATOM 56 CD LYS A 425 -9.936 1.789 7.812 1.00 0.00 C ATOM 57 CE LYS A 425 -10.946 2.938 7.837 1.00 0.00 C ATOM 58 NZ LYS A 425 -11.855 2.854 6.672 1.00 0.00 N ATOM 0 H LYS A 425 -7.835 -0.066 12.200 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.557 -0.458 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -9.898 1.367 10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.424 2.175 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.602 3.196 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -7.812 1.740 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.623 1.598 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -10.408 0.877 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -11.524 2.902 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.420 3.893 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -12.534 3.641 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -11.300 2.911 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.370 1.951 6.698 1.00 0.00 H new ATOM 71 N VAL A 426 -6.268 0.097 8.602 1.00 0.00 N ATOM 72 CA VAL A 426 -4.872 0.158 8.204 1.00 0.00 C ATOM 73 C VAL A 426 -4.712 1.181 7.077 1.00 0.00 C ATOM 74 O VAL A 426 -5.382 1.089 6.051 1.00 0.00 O ATOM 75 CB VAL A 426 -4.376 -1.237 7.820 1.00 0.00 C ATOM 76 CG1 VAL A 426 -2.850 -1.265 7.707 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.871 -2.289 8.815 1.00 0.00 C ATOM 0 H VAL A 426 -6.924 -0.057 7.836 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.252 0.491 9.036 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.789 -1.481 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.524 -2.268 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.529 -0.558 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.409 -0.989 8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.504 -3.272 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.501 -2.049 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -5.961 -2.297 8.824 1.00 0.00 H new ATOM 87 N THR A 427 -3.819 2.132 7.308 1.00 0.00 N ATOM 88 CA THR A 427 -3.562 3.172 6.325 1.00 0.00 C ATOM 89 C THR A 427 -2.179 2.984 5.700 1.00 0.00 C ATOM 90 O THR A 427 -1.208 2.706 6.402 1.00 0.00 O ATOM 91 CB THR A 427 -3.740 4.527 7.013 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.124 4.568 7.347 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.553 5.701 6.050 1.00 0.00 C ATOM 0 H THR A 427 -3.264 2.205 8.161 1.00 0.00 H new ATOM 0 HA THR A 427 -4.268 3.117 5.497 1.00 0.00 H new ATOM 0 HB THR A 427 -3.028 4.614 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.327 5.414 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.690 6.639 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.549 5.669 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.287 5.633 5.247 1.00 0.00 H new ATOM 101 N ILE A 428 -2.133 3.144 4.385 1.00 0.00 N ATOM 102 CA ILE A 428 -0.884 2.996 3.657 1.00 0.00 C ATOM 103 C ILE A 428 -0.712 4.178 2.701 1.00 0.00 C ATOM 104 O ILE A 428 -1.562 4.416 1.844 1.00 0.00 O ATOM 105 CB ILE A 428 -0.826 1.632 2.965 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.402 0.537 3.946 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.079 1.680 1.733 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.331 -0.675 3.850 1.00 0.00 C ATOM 0 H ILE A 428 -2.940 3.374 3.805 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.038 3.016 4.344 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.829 1.382 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.623 0.232 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.415 0.930 4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.102 0.698 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.308 2.414 1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.088 1.962 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.007 -1.438 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.351 -0.371 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.297 -1.080 2.839 1.00 0.00 H new ATOM 120 N TYR A 429 0.392 4.888 2.881 1.00 0.00 N ATOM 121 CA TYR A 429 0.685 6.040 2.045 1.00 0.00 C ATOM 122 C TYR A 429 1.930 5.794 1.190 1.00 0.00 C ATOM 123 O TYR A 429 3.043 5.733 1.711 1.00 0.00 O ATOM 124 CB TYR A 429 0.962 7.198 3.006 1.00 0.00 C ATOM 125 CG TYR A 429 -0.265 7.658 3.795 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.508 7.131 3.508 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.130 8.600 4.794 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.663 7.564 4.251 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.285 9.033 5.537 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.494 8.493 5.229 1.00 0.00 C ATOM 131 OH TYR A 429 -3.585 8.902 5.931 1.00 0.00 O ATOM 0 H TYR A 429 1.094 4.688 3.593 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.146 6.246 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.740 6.897 3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.354 8.042 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.614 6.394 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.842 9.013 5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.641 7.160 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.193 9.770 6.321 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.314 9.567 6.598 1.00 0.00 H new ATOM 141 N TYR A 430 1.700 5.659 -0.108 1.00 0.00 N ATOM 142 CA TYR A 430 2.789 5.421 -1.040 1.00 0.00 C ATOM 143 C TYR A 430 3.078 6.669 -1.876 1.00 0.00 C ATOM 144 O TYR A 430 2.155 7.358 -2.308 1.00 0.00 O ATOM 145 CB TYR A 430 2.314 4.300 -1.966 1.00 0.00 C ATOM 146 CG TYR A 430 3.075 4.222 -3.291 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.312 3.610 -3.341 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.526 4.763 -4.435 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.028 3.537 -4.588 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.243 4.690 -5.682 1.00 0.00 C ATOM 151 CZ TYR A 430 4.459 4.080 -5.697 1.00 0.00 C ATOM 152 OH TYR A 430 5.136 4.011 -6.874 1.00 0.00 O ATOM 0 H TYR A 430 0.776 5.710 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 430 3.703 5.162 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.412 3.347 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.254 4.441 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.742 3.186 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.558 5.241 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 430 5.996 3.061 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.825 5.110 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 430 5.580 3.140 -6.946 1.00 0.00 H new ATOM 162 N LYS A 431 4.363 6.922 -2.079 1.00 0.00 N ATOM 163 CA LYS A 431 4.785 8.075 -2.856 1.00 0.00 C ATOM 164 C LYS A 431 4.300 7.918 -4.298 1.00 0.00 C ATOM 165 O LYS A 431 4.337 6.821 -4.854 1.00 0.00 O ATOM 166 CB LYS A 431 6.296 8.280 -2.734 1.00 0.00 C ATOM 167 CG LYS A 431 6.709 9.652 -3.270 1.00 0.00 C ATOM 168 CD LYS A 431 8.082 9.588 -3.941 1.00 0.00 C ATOM 169 CE LYS A 431 8.007 10.067 -5.392 1.00 0.00 C ATOM 170 NZ LYS A 431 8.123 11.540 -5.458 1.00 0.00 N ATOM 0 H LYS A 431 5.125 6.348 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 431 4.331 8.985 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.596 8.188 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.818 7.498 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.967 10.005 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 431 6.733 10.373 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.790 10.204 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.458 8.565 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 431 8.805 9.607 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.064 9.750 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 8.070 11.848 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 7.347 11.974 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.034 11.835 -5.052 1.00 0.00 H new ATOM 183 N LYS A 432 3.856 9.031 -4.864 1.00 0.00 N ATOM 184 CA LYS A 432 3.365 9.031 -6.232 1.00 0.00 C ATOM 185 C LYS A 432 4.552 8.989 -7.196 1.00 0.00 C ATOM 186 O LYS A 432 5.233 9.995 -7.391 1.00 0.00 O ATOM 187 CB LYS A 432 2.425 10.216 -6.464 1.00 0.00 C ATOM 188 CG LYS A 432 1.395 9.895 -7.548 1.00 0.00 C ATOM 189 CD LYS A 432 0.163 10.793 -7.418 1.00 0.00 C ATOM 190 CE LYS A 432 -0.959 10.079 -6.662 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.180 10.006 -7.496 1.00 0.00 N ATOM 0 H LYS A 432 3.826 9.939 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 432 2.768 8.139 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.914 10.467 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.004 11.092 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.844 10.028 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.097 8.849 -7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.431 11.711 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.188 11.081 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.638 9.074 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.176 10.609 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -3.011 9.875 -6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.284 10.888 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.104 9.204 -8.154 1.00 0.00 H new ATOM 204 N GLY A 433 4.763 7.816 -7.774 1.00 0.00 N ATOM 205 CA GLY A 433 5.856 7.630 -8.713 1.00 0.00 C ATOM 206 C GLY A 433 5.332 7.217 -10.090 1.00 0.00 C ATOM 207 O GLY A 433 6.112 6.889 -10.982 1.00 0.00 O ATOM 0 H GLY A 433 4.195 6.985 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.427 8.554 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.538 6.868 -8.336 1.00 0.00 H new ATOM 211 N PHE A 434 4.014 7.247 -10.219 1.00 0.00 N ATOM 212 CA PHE A 434 3.376 6.880 -11.472 1.00 0.00 C ATOM 213 C PHE A 434 2.197 7.805 -11.780 1.00 0.00 C ATOM 214 O PHE A 434 2.190 8.488 -12.803 1.00 0.00 O ATOM 215 CB PHE A 434 2.857 5.450 -11.308 1.00 0.00 C ATOM 216 CG PHE A 434 3.882 4.371 -11.664 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.786 3.958 -10.735 1.00 0.00 C ATOM 218 CD2 PHE A 434 3.889 3.825 -12.909 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.737 2.957 -11.066 1.00 0.00 C ATOM 220 CE2 PHE A 434 4.840 2.824 -13.240 1.00 0.00 C ATOM 221 CZ PHE A 434 5.744 2.411 -12.312 1.00 0.00 C ATOM 0 H PHE A 434 3.370 7.520 -9.476 1.00 0.00 H new ATOM 0 HA PHE A 434 4.091 6.963 -12.291 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.537 5.307 -10.276 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.975 5.320 -11.936 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.780 4.392 -9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 434 3.171 4.153 -13.646 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.455 2.629 -10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 434 4.845 2.390 -14.229 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.467 1.650 -12.564 1.00 0.00 H new ATOM 231 N ASN A 435 1.229 7.799 -10.875 1.00 0.00 N ATOM 232 CA ASN A 435 0.048 8.629 -11.037 1.00 0.00 C ATOM 233 C ASN A 435 -1.161 7.912 -10.432 1.00 0.00 C ATOM 234 O ASN A 435 -1.784 8.417 -9.499 1.00 0.00 O ATOM 235 CB ASN A 435 -0.246 8.886 -12.516 1.00 0.00 C ATOM 236 CG ASN A 435 0.373 10.206 -12.977 1.00 0.00 C ATOM 237 OD1 ASN A 435 0.308 11.221 -12.303 1.00 0.00 O ATOM 238 ND2 ASN A 435 0.977 10.137 -14.160 1.00 0.00 N ATOM 0 H ASN A 435 1.239 7.232 -10.027 1.00 0.00 H new ATOM 0 HA ASN A 435 0.232 9.579 -10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 435 0.148 8.066 -13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 435 -1.324 8.910 -12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.422 10.966 -14.554 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.995 9.255 -14.673 1.00 0.00 H new ATOM 245 N SER A 436 -1.456 6.746 -10.987 1.00 0.00 N ATOM 246 CA SER A 436 -2.579 5.955 -10.515 1.00 0.00 C ATOM 247 C SER A 436 -2.148 4.500 -10.316 1.00 0.00 C ATOM 248 O SER A 436 -2.680 3.598 -10.960 1.00 0.00 O ATOM 249 CB SER A 436 -3.756 6.031 -11.490 1.00 0.00 C ATOM 250 OG SER A 436 -4.215 7.367 -11.669 1.00 0.00 O ATOM 0 H SER A 436 -0.936 6.330 -11.760 1.00 0.00 H new ATOM 0 HA SER A 436 -2.907 6.364 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 436 -3.456 5.619 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 436 -4.574 5.413 -11.120 1.00 0.00 H new ATOM 0 HG SER A 436 -4.965 7.373 -12.299 1.00 0.00 H new ATOM 256 N PRO A 437 -1.162 4.314 -9.397 1.00 0.00 N ATOM 257 CA PRO A 437 -0.653 2.984 -9.105 1.00 0.00 C ATOM 258 C PRO A 437 -1.646 2.192 -8.252 1.00 0.00 C ATOM 259 O PRO A 437 -2.409 2.773 -7.481 1.00 0.00 O ATOM 260 CB PRO A 437 0.677 3.217 -8.407 1.00 0.00 C ATOM 261 CG PRO A 437 0.645 4.656 -7.919 1.00 0.00 C ATOM 262 CD PRO A 437 -0.509 5.359 -8.615 1.00 0.00 C ATOM 0 HA PRO A 437 -0.517 2.379 -10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.808 2.525 -7.575 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.510 3.055 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.516 4.689 -6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.587 5.156 -8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.196 5.802 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.153 6.167 -9.254 1.00 0.00 H new ATOM 270 N TYR A 438 -1.604 0.879 -8.418 1.00 0.00 N ATOM 271 CA TYR A 438 -2.490 0.001 -7.673 1.00 0.00 C ATOM 272 C TYR A 438 -1.773 -0.608 -6.466 1.00 0.00 C ATOM 273 O TYR A 438 -0.556 -0.789 -6.490 1.00 0.00 O ATOM 274 CB TYR A 438 -2.882 -1.120 -8.637 1.00 0.00 C ATOM 275 CG TYR A 438 -3.587 -0.633 -9.905 1.00 0.00 C ATOM 276 CD1 TYR A 438 -2.847 -0.125 -10.953 1.00 0.00 C ATOM 277 CD2 TYR A 438 -4.962 -0.702 -10.000 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.511 0.334 -12.147 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.625 -0.244 -11.193 1.00 0.00 C ATOM 280 CZ TYR A 438 -4.867 0.252 -12.207 1.00 0.00 C ATOM 281 OH TYR A 438 -5.493 0.685 -13.334 1.00 0.00 O ATOM 0 H TYR A 438 -0.970 0.401 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.353 0.554 -7.301 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -1.985 -1.671 -8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.535 -1.821 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.771 -0.071 -10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.541 -1.100 -9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -2.945 0.734 -12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.700 -0.293 -11.281 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.461 0.565 -13.237 1.00 0.00 H new ATOM 291 N ILE A 439 -2.556 -0.906 -5.441 1.00 0.00 N ATOM 292 CA ILE A 439 -2.011 -1.489 -4.227 1.00 0.00 C ATOM 293 C ILE A 439 -2.876 -2.679 -3.805 1.00 0.00 C ATOM 294 O ILE A 439 -4.064 -2.521 -3.532 1.00 0.00 O ATOM 295 CB ILE A 439 -1.860 -0.423 -3.140 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.706 -0.762 -2.195 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.176 -0.218 -2.387 1.00 0.00 C ATOM 298 CD1 ILE A 439 -1.116 -1.845 -1.195 1.00 0.00 C ATOM 0 H ILE A 439 -3.565 -0.755 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 439 -1.006 -1.872 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.613 0.523 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 439 0.154 -1.102 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.395 0.135 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.041 0.545 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.949 0.102 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.477 -1.155 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.277 -2.067 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -1.960 -1.492 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.403 -2.748 -1.734 1.00 0.00 H new ATOM 310 N HIS A 440 -2.245 -3.844 -3.766 1.00 0.00 N ATOM 311 CA HIS A 440 -2.941 -5.060 -3.383 1.00 0.00 C ATOM 312 C HIS A 440 -2.789 -5.286 -1.878 1.00 0.00 C ATOM 313 O HIS A 440 -1.672 -5.398 -1.373 1.00 0.00 O ATOM 314 CB HIS A 440 -2.455 -6.249 -4.214 1.00 0.00 C ATOM 315 CG HIS A 440 -3.420 -7.411 -4.246 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.790 -7.251 -4.136 1.00 0.00 N ATOM 317 CD2 HIS A 440 -3.198 -8.750 -4.377 1.00 0.00 C ATOM 318 CE1 HIS A 440 -5.357 -8.447 -4.199 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.369 -9.374 -4.348 1.00 0.00 N ATOM 0 H HIS A 440 -1.259 -3.971 -3.994 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.005 -4.956 -3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.271 -5.915 -5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.501 -6.593 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.233 -9.223 -4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -6.416 -8.651 -4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.507 -10.382 -4.425 1.00 0.00 H new ATOM 327 N TYR A 441 -3.927 -5.347 -1.202 1.00 0.00 N ATOM 328 CA TYR A 441 -3.934 -5.558 0.235 1.00 0.00 C ATOM 329 C TYR A 441 -4.878 -6.699 0.618 1.00 0.00 C ATOM 330 O TYR A 441 -5.857 -6.960 -0.080 1.00 0.00 O ATOM 331 CB TYR A 441 -4.451 -4.256 0.850 1.00 0.00 C ATOM 332 CG TYR A 441 -5.899 -3.927 0.482 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.930 -4.703 0.974 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.176 -2.854 -0.341 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.293 -4.393 0.628 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.539 -2.544 -0.687 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.530 -3.329 -0.185 1.00 0.00 C ATOM 338 OH TYR A 441 -9.817 -3.037 -0.512 1.00 0.00 O ATOM 0 H TYR A 441 -4.851 -5.254 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.937 -5.821 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.368 -4.320 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.810 -3.435 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.714 -5.542 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.370 -2.247 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.109 -4.992 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.769 -1.708 -1.330 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.836 -2.251 -1.098 1.00 0.00 H new ATOM 348 N ARG A 442 -4.552 -7.349 1.725 1.00 0.00 N ATOM 349 CA ARG A 442 -5.358 -8.457 2.209 1.00 0.00 C ATOM 350 C ARG A 442 -5.212 -8.598 3.725 1.00 0.00 C ATOM 351 O ARG A 442 -4.100 -8.718 4.237 1.00 0.00 O ATOM 352 CB ARG A 442 -4.949 -9.770 1.539 1.00 0.00 C ATOM 353 CG ARG A 442 -5.362 -10.972 2.391 1.00 0.00 C ATOM 354 CD ARG A 442 -4.901 -12.283 1.750 1.00 0.00 C ATOM 355 NE ARG A 442 -4.124 -13.077 2.727 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.579 -14.284 2.458 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.724 -14.845 1.239 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.904 -14.906 3.406 1.00 0.00 N ATOM 0 H ARG A 442 -3.740 -7.129 2.301 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.397 -8.244 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.413 -9.840 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.870 -9.783 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.932 -10.880 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.445 -10.983 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.764 -12.854 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.291 -12.073 0.872 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.991 -12.690 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.248 -14.358 0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.309 -15.756 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.800 -14.475 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.486 -15.818 3.220 1.00 0.00 H new ATOM 371 N PRO A 443 -6.381 -8.578 4.420 1.00 0.00 N ATOM 372 CA PRO A 443 -6.394 -8.702 5.868 1.00 0.00 C ATOM 373 C PRO A 443 -6.124 -10.146 6.296 1.00 0.00 C ATOM 374 O PRO A 443 -6.692 -11.081 5.735 1.00 0.00 O ATOM 375 CB PRO A 443 -7.765 -8.203 6.293 1.00 0.00 C ATOM 376 CG PRO A 443 -8.633 -8.255 5.047 1.00 0.00 C ATOM 377 CD PRO A 443 -7.717 -8.437 3.848 1.00 0.00 C ATOM 0 HA PRO A 443 -5.607 -8.120 6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.180 -8.828 7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.706 -7.188 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.345 -9.078 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.214 -7.338 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.994 -9.317 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.771 -7.581 3.175 1.00 0.00 H new ATOM 385 N ALA A 444 -5.255 -10.282 7.288 1.00 0.00 N ATOM 386 CA ALA A 444 -4.902 -11.596 7.798 1.00 0.00 C ATOM 387 C ALA A 444 -6.178 -12.348 8.184 1.00 0.00 C ATOM 388 O ALA A 444 -6.756 -12.096 9.240 1.00 0.00 O ATOM 389 CB ALA A 444 -3.936 -11.445 8.974 1.00 0.00 C ATOM 0 H ALA A 444 -4.786 -9.504 7.752 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.393 -12.181 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.671 -12.431 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.034 -10.931 8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.413 -10.865 9.764 1.00 0.00 H new ATOM 395 N GLY A 445 -6.579 -13.257 7.307 1.00 0.00 N ATOM 396 CA GLY A 445 -7.776 -14.047 7.543 1.00 0.00 C ATOM 397 C GLY A 445 -8.935 -13.558 6.672 1.00 0.00 C ATOM 398 O GLY A 445 -10.071 -13.999 6.841 1.00 0.00 O ATOM 0 H GLY A 445 -6.097 -13.464 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.572 -15.096 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.055 -13.985 8.595 1.00 0.00 H new ATOM 402 N GLY A 446 -8.609 -12.655 5.760 1.00 0.00 N ATOM 403 CA GLY A 446 -9.609 -12.101 4.863 1.00 0.00 C ATOM 404 C GLY A 446 -9.371 -12.564 3.424 1.00 0.00 C ATOM 405 O GLY A 446 -8.804 -13.632 3.197 1.00 0.00 O ATOM 0 H GLY A 446 -7.666 -12.293 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.603 -12.407 5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.580 -11.012 4.908 1.00 0.00 H new ATOM 409 N SER A 447 -9.817 -11.738 2.489 1.00 0.00 N ATOM 410 CA SER A 447 -9.660 -12.049 1.079 1.00 0.00 C ATOM 411 C SER A 447 -8.874 -10.937 0.381 1.00 0.00 C ATOM 412 O SER A 447 -8.860 -9.798 0.845 1.00 0.00 O ATOM 413 CB SER A 447 -11.019 -12.243 0.403 1.00 0.00 C ATOM 414 OG SER A 447 -12.078 -12.338 1.352 1.00 0.00 O ATOM 0 H SER A 447 -10.287 -10.853 2.681 1.00 0.00 H new ATOM 0 HA SER A 447 -9.106 -12.984 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 447 -11.211 -11.409 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.995 -13.147 -0.206 1.00 0.00 H new ATOM 0 HG SER A 447 -12.929 -12.460 0.881 1.00 0.00 H new ATOM 420 N TRP A 448 -8.239 -11.307 -0.721 1.00 0.00 N ATOM 421 CA TRP A 448 -7.453 -10.355 -1.487 1.00 0.00 C ATOM 422 C TRP A 448 -8.418 -9.381 -2.165 1.00 0.00 C ATOM 423 O TRP A 448 -9.596 -9.690 -2.341 1.00 0.00 O ATOM 424 CB TRP A 448 -6.534 -11.073 -2.477 1.00 0.00 C ATOM 425 CG TRP A 448 -5.171 -11.456 -1.896 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.692 -12.685 -1.659 1.00 0.00 C ATOM 427 CD2 TRP A 448 -4.125 -10.550 -1.488 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.419 -12.637 -1.129 1.00 0.00 N ATOM 429 CE2 TRP A 448 -3.063 -11.298 -1.021 1.00 0.00 C ATOM 430 CE3 TRP A 448 -4.078 -9.145 -1.511 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.876 -10.729 -0.544 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.885 -8.592 -1.030 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.807 -9.331 -0.557 1.00 0.00 C ATOM 0 H TRP A 448 -8.253 -12.253 -1.102 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.790 -9.789 -0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -7.033 -11.975 -2.831 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.380 -10.432 -3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.234 -13.598 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.845 -13.437 -0.865 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.897 -8.540 -1.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -1.058 -11.336 -0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.796 -7.516 -1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.920 -8.829 -0.201 1.00 0.00 H new ATOM 444 N THR A 449 -7.884 -8.224 -2.528 1.00 0.00 N ATOM 445 CA THR A 449 -8.684 -7.203 -3.183 1.00 0.00 C ATOM 446 C THR A 449 -8.813 -7.504 -4.678 1.00 0.00 C ATOM 447 O THR A 449 -8.349 -8.541 -5.148 1.00 0.00 O ATOM 448 CB THR A 449 -8.047 -5.843 -2.889 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.353 -6.042 -1.661 1.00 0.00 O ATOM 450 CG2 THR A 449 -9.086 -4.769 -2.561 1.00 0.00 C ATOM 0 H THR A 449 -6.907 -7.971 -2.381 1.00 0.00 H new ATOM 0 HA THR A 449 -9.703 -7.191 -2.797 1.00 0.00 H new ATOM 0 HB THR A 449 -7.456 -5.526 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.451 -5.246 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.581 -3.824 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.763 -4.647 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.655 -5.070 -1.682 1.00 0.00 H new ATOM 458 N ALA A 450 -9.444 -6.577 -5.383 1.00 0.00 N ATOM 459 CA ALA A 450 -9.640 -6.730 -6.814 1.00 0.00 C ATOM 460 C ALA A 450 -8.362 -6.318 -7.547 1.00 0.00 C ATOM 461 O ALA A 450 -8.143 -5.135 -7.804 1.00 0.00 O ATOM 462 CB ALA A 450 -10.854 -5.909 -7.254 1.00 0.00 C ATOM 0 H ALA A 450 -9.826 -5.717 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.842 -7.772 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -11.001 -6.024 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.741 -6.260 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.686 -4.858 -7.021 1.00 0.00 H new ATOM 468 N ALA A 451 -7.550 -7.317 -7.861 1.00 0.00 N ATOM 469 CA ALA A 451 -6.299 -7.073 -8.558 1.00 0.00 C ATOM 470 C ALA A 451 -6.589 -6.377 -9.890 1.00 0.00 C ATOM 471 O ALA A 451 -7.540 -6.731 -10.585 1.00 0.00 O ATOM 472 CB ALA A 451 -5.550 -8.394 -8.742 1.00 0.00 C ATOM 0 H ALA A 451 -7.734 -8.297 -7.645 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.657 -6.413 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.611 -8.210 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.342 -8.833 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -6.162 -9.081 -9.326 1.00 0.00 H new ATOM 478 N PRO A 452 -5.729 -5.375 -10.215 1.00 0.00 N ATOM 479 CA PRO A 452 -4.628 -5.020 -9.336 1.00 0.00 C ATOM 480 C PRO A 452 -5.128 -4.243 -8.116 1.00 0.00 C ATOM 481 O PRO A 452 -5.696 -3.161 -8.256 1.00 0.00 O ATOM 482 CB PRO A 452 -3.676 -4.214 -10.204 1.00 0.00 C ATOM 483 CG PRO A 452 -4.492 -3.753 -11.401 1.00 0.00 C ATOM 484 CD PRO A 452 -5.782 -4.557 -11.422 1.00 0.00 C ATOM 0 HA PRO A 452 -4.125 -5.892 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.273 -3.363 -9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.827 -4.821 -10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.708 -2.687 -11.329 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.933 -3.903 -12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.655 -3.905 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.848 -5.176 -12.317 1.00 0.00 H new ATOM 492 N GLY A 453 -4.899 -4.825 -6.949 1.00 0.00 N ATOM 493 CA GLY A 453 -5.320 -4.201 -5.706 1.00 0.00 C ATOM 494 C GLY A 453 -6.290 -3.048 -5.972 1.00 0.00 C ATOM 495 O GLY A 453 -7.261 -3.208 -6.711 1.00 0.00 O ATOM 0 H GLY A 453 -4.427 -5.722 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.798 -4.943 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.448 -3.830 -5.167 1.00 0.00 H new ATOM 499 N VAL A 454 -5.994 -1.913 -5.356 1.00 0.00 N ATOM 500 CA VAL A 454 -6.829 -0.735 -5.517 1.00 0.00 C ATOM 501 C VAL A 454 -5.941 0.478 -5.804 1.00 0.00 C ATOM 502 O VAL A 454 -4.885 0.637 -5.194 1.00 0.00 O ATOM 503 CB VAL A 454 -7.715 -0.548 -4.284 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.870 -0.270 -3.039 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.742 0.563 -4.510 1.00 0.00 C ATOM 0 H VAL A 454 -5.188 -1.784 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.500 -0.856 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.259 -1.478 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.524 -0.141 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.197 -1.109 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.286 0.638 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.359 0.675 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.225 1.501 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.375 0.306 -5.359 1.00 0.00 H new ATOM 515 N LYS A 455 -6.402 1.302 -6.733 1.00 0.00 N ATOM 516 CA LYS A 455 -5.663 2.496 -7.109 1.00 0.00 C ATOM 517 C LYS A 455 -5.532 3.413 -5.892 1.00 0.00 C ATOM 518 O LYS A 455 -6.517 3.998 -5.442 1.00 0.00 O ATOM 519 CB LYS A 455 -6.312 3.169 -8.320 1.00 0.00 C ATOM 520 CG LYS A 455 -5.639 4.508 -8.629 1.00 0.00 C ATOM 521 CD LYS A 455 -6.653 5.520 -9.165 1.00 0.00 C ATOM 522 CE LYS A 455 -6.998 6.566 -8.103 1.00 0.00 C ATOM 523 NZ LYS A 455 -8.324 7.164 -8.377 1.00 0.00 N ATOM 0 H LYS A 455 -7.278 1.167 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.652 2.236 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.240 2.513 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.373 3.327 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.170 4.900 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.846 4.360 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.247 6.013 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.559 5.001 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.998 6.104 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -6.236 7.346 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -8.543 7.872 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.312 7.622 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -9.050 6.419 -8.366 1.00 0.00 H new ATOM 536 N MET A 456 -4.309 3.511 -5.393 1.00 0.00 N ATOM 537 CA MET A 456 -4.037 4.348 -4.237 1.00 0.00 C ATOM 538 C MET A 456 -4.600 5.756 -4.434 1.00 0.00 C ATOM 539 O MET A 456 -4.269 6.431 -5.408 1.00 0.00 O ATOM 540 CB MET A 456 -2.526 4.430 -4.010 1.00 0.00 C ATOM 541 CG MET A 456 -1.983 3.112 -3.453 1.00 0.00 C ATOM 542 SD MET A 456 -0.266 2.921 -3.902 1.00 0.00 S ATOM 543 CE MET A 456 -0.448 2.236 -5.541 1.00 0.00 C ATOM 0 H MET A 456 -3.495 3.024 -5.768 1.00 0.00 H new ATOM 0 HA MET A 456 -4.521 3.902 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.026 4.666 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.302 5.241 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.088 3.095 -2.368 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.564 2.276 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.408 1.600 -5.767 1.00 0.00 H new ATOM 0 HE2 MET A 456 -1.362 1.644 -5.589 1.00 0.00 H new ATOM 0 HE3 MET A 456 -0.501 3.045 -6.270 1.00 0.00 H new ATOM 553 N GLN A 457 -5.443 6.159 -3.494 1.00 0.00 N ATOM 554 CA GLN A 457 -6.056 7.475 -3.552 1.00 0.00 C ATOM 555 C GLN A 457 -4.984 8.554 -3.714 1.00 0.00 C ATOM 556 O GLN A 457 -3.790 8.258 -3.676 1.00 0.00 O ATOM 557 CB GLN A 457 -6.913 7.736 -2.312 1.00 0.00 C ATOM 558 CG GLN A 457 -7.783 6.522 -1.981 1.00 0.00 C ATOM 559 CD GLN A 457 -9.058 6.944 -1.247 1.00 0.00 C ATOM 560 OE1 GLN A 457 -9.041 7.756 -0.337 1.00 0.00 O ATOM 561 NE2 GLN A 457 -10.161 6.350 -1.694 1.00 0.00 N ATOM 0 H GLN A 457 -5.716 5.597 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.713 7.510 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.270 7.969 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.547 8.607 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -8.045 5.997 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.218 5.823 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -10.104 5.679 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -11.064 6.565 -1.271 1.00 0.00 H new ATOM 570 N ASP A 458 -5.447 9.782 -3.893 1.00 0.00 N ATOM 571 CA ASP A 458 -4.542 10.906 -4.061 1.00 0.00 C ATOM 572 C ASP A 458 -4.175 11.471 -2.688 1.00 0.00 C ATOM 573 O ASP A 458 -5.049 11.701 -1.853 1.00 0.00 O ATOM 574 CB ASP A 458 -5.200 12.025 -4.872 1.00 0.00 C ATOM 575 CG ASP A 458 -6.490 11.630 -5.592 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.471 10.849 -6.555 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.564 12.167 -5.120 1.00 0.00 O ATOM 0 H ASP A 458 -6.437 10.023 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.657 10.550 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.416 12.859 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.485 12.386 -5.611 1.00 0.00 H new ATOM 583 N ALA A 459 -2.880 11.677 -2.495 1.00 0.00 N ATOM 584 CA ALA A 459 -2.387 12.210 -1.237 1.00 0.00 C ATOM 585 C ALA A 459 -1.870 13.633 -1.458 1.00 0.00 C ATOM 586 O ALA A 459 -0.820 13.828 -2.069 1.00 0.00 O ATOM 587 CB ALA A 459 -1.310 11.279 -0.676 1.00 0.00 C ATOM 0 H ALA A 459 -2.158 11.484 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.190 12.262 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.940 11.678 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.735 10.289 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.487 11.205 -1.387 1.00 0.00 H new ATOM 593 N GLU A 460 -2.630 14.591 -0.949 1.00 0.00 N ATOM 594 CA GLU A 460 -2.263 15.990 -1.084 1.00 0.00 C ATOM 595 C GLU A 460 -0.900 16.245 -0.435 1.00 0.00 C ATOM 596 O GLU A 460 -0.281 17.281 -0.672 1.00 0.00 O ATOM 597 CB GLU A 460 -3.335 16.899 -0.482 1.00 0.00 C ATOM 598 CG GLU A 460 -3.412 16.727 1.037 1.00 0.00 C ATOM 599 CD GLU A 460 -4.489 17.632 1.638 1.00 0.00 C ATOM 600 OE1 GLU A 460 -4.699 18.753 1.152 1.00 0.00 O ATOM 601 OE2 GLU A 460 -5.121 17.132 2.646 1.00 0.00 O ATOM 0 H GLU A 460 -3.499 14.426 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.189 16.226 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.112 17.938 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.303 16.669 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.630 15.687 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.445 16.961 1.482 1.00 0.00 H new ATOM 609 N ILE A 461 -0.474 15.283 0.370 1.00 0.00 N ATOM 610 CA ILE A 461 0.803 15.391 1.054 1.00 0.00 C ATOM 611 C ILE A 461 1.765 16.220 0.201 1.00 0.00 C ATOM 612 O ILE A 461 2.443 17.110 0.712 1.00 0.00 O ATOM 613 CB ILE A 461 1.338 14.003 1.412 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.340 13.239 2.285 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.717 14.099 2.068 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.429 14.193 3.201 1.00 0.00 C ATOM 0 H ILE A 461 -0.991 14.425 0.564 1.00 0.00 H new ATOM 0 HA ILE A 461 0.684 15.916 2.002 1.00 0.00 H new ATOM 0 HB ILE A 461 1.459 13.435 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.360 12.694 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.869 12.499 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 461 3.074 13.099 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.415 14.575 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.646 14.692 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.132 13.625 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 461 0.272 14.719 3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -0.976 14.916 2.596 1.00 0.00 H new ATOM 628 N SER A 462 1.794 15.898 -1.083 1.00 0.00 N ATOM 629 CA SER A 462 2.663 16.601 -2.012 1.00 0.00 C ATOM 630 C SER A 462 3.029 15.686 -3.182 1.00 0.00 C ATOM 631 O SER A 462 4.190 15.620 -3.583 1.00 0.00 O ATOM 632 CB SER A 462 3.929 17.100 -1.312 1.00 0.00 C ATOM 633 OG SER A 462 3.784 18.435 -0.835 1.00 0.00 O ATOM 0 H SER A 462 1.230 15.159 -1.503 1.00 0.00 H new ATOM 0 HA SER A 462 2.125 17.469 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 462 4.166 16.440 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.769 17.052 -2.005 1.00 0.00 H new ATOM 0 HG SER A 462 3.129 18.453 -0.107 1.00 0.00 H new ATOM 639 N GLY A 463 2.017 15.003 -3.697 1.00 0.00 N ATOM 640 CA GLY A 463 2.218 14.094 -4.812 1.00 0.00 C ATOM 641 C GLY A 463 2.408 12.658 -4.322 1.00 0.00 C ATOM 642 O GLY A 463 3.309 11.956 -4.779 1.00 0.00 O ATOM 0 H GLY A 463 1.055 15.061 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.361 14.142 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.091 14.405 -5.386 1.00 0.00 H new ATOM 646 N TYR A 464 1.545 12.262 -3.398 1.00 0.00 N ATOM 647 CA TYR A 464 1.607 10.922 -2.840 1.00 0.00 C ATOM 648 C TYR A 464 0.279 10.186 -3.033 1.00 0.00 C ATOM 649 O TYR A 464 -0.663 10.736 -3.601 1.00 0.00 O ATOM 650 CB TYR A 464 1.865 11.100 -1.343 1.00 0.00 C ATOM 651 CG TYR A 464 3.323 10.880 -0.932 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.269 11.847 -1.202 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.691 9.714 -0.292 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.641 11.640 -0.816 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.062 9.506 0.094 1.00 0.00 C ATOM 656 CZ TYR A 464 5.970 10.480 -0.187 1.00 0.00 C ATOM 657 OH TYR A 464 7.265 10.284 0.178 1.00 0.00 O ATOM 0 H TYR A 464 0.798 12.846 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 464 2.385 10.337 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.563 12.106 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.234 10.404 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.981 12.759 -1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.950 8.957 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.392 12.389 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.363 8.598 0.595 1.00 0.00 H new ATOM 0 HH TYR A 464 7.414 9.332 0.356 1.00 0.00 H new ATOM 667 N ALA A 465 0.247 8.953 -2.548 1.00 0.00 N ATOM 668 CA ALA A 465 -0.949 8.136 -2.659 1.00 0.00 C ATOM 669 C ALA A 465 -1.365 7.656 -1.268 1.00 0.00 C ATOM 670 O ALA A 465 -0.515 7.374 -0.424 1.00 0.00 O ATOM 671 CB ALA A 465 -0.687 6.976 -3.622 1.00 0.00 C ATOM 0 H ALA A 465 1.031 8.500 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.775 8.719 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.584 6.363 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.424 7.370 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 465 0.134 6.368 -3.244 1.00 0.00 H new ATOM 677 N LYS A 466 -2.673 7.577 -1.070 1.00 0.00 N ATOM 678 CA LYS A 466 -3.212 7.136 0.205 1.00 0.00 C ATOM 679 C LYS A 466 -4.181 5.975 -0.030 1.00 0.00 C ATOM 680 O LYS A 466 -4.901 5.955 -1.027 1.00 0.00 O ATOM 681 CB LYS A 466 -3.834 8.313 0.959 1.00 0.00 C ATOM 682 CG LYS A 466 -2.759 9.302 1.415 1.00 0.00 C ATOM 683 CD LYS A 466 -3.372 10.665 1.743 1.00 0.00 C ATOM 684 CE LYS A 466 -4.331 10.563 2.930 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.890 11.894 3.260 1.00 0.00 N ATOM 0 H LYS A 466 -3.375 7.811 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.415 6.761 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.553 8.822 0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.385 7.945 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.247 8.909 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.009 9.415 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.580 11.379 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.905 11.047 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.139 9.871 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.807 10.157 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.539 11.807 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.116 12.544 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.408 12.266 2.439 1.00 0.00 H new ATOM 698 N ILE A 467 -4.168 5.037 0.905 1.00 0.00 N ATOM 699 CA ILE A 467 -5.036 3.875 0.812 1.00 0.00 C ATOM 700 C ILE A 467 -5.370 3.380 2.221 1.00 0.00 C ATOM 701 O ILE A 467 -4.476 3.188 3.044 1.00 0.00 O ATOM 702 CB ILE A 467 -4.406 2.806 -0.082 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.477 2.051 -0.871 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.521 1.861 0.733 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.264 3.001 -1.776 1.00 0.00 C ATOM 0 H ILE A 467 -3.570 5.058 1.731 1.00 0.00 H new ATOM 0 HA ILE A 467 -5.979 4.141 0.335 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.762 3.303 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.009 1.273 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.158 1.553 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.085 1.111 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.724 2.431 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.122 1.367 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.019 2.438 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.751 3.763 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.584 3.479 -2.481 1.00 0.00 H new ATOM 717 N THR A 468 -6.660 3.188 2.455 1.00 0.00 N ATOM 718 CA THR A 468 -7.123 2.719 3.750 1.00 0.00 C ATOM 719 C THR A 468 -7.844 1.377 3.605 1.00 0.00 C ATOM 720 O THR A 468 -8.815 1.268 2.858 1.00 0.00 O ATOM 721 CB THR A 468 -7.997 3.815 4.365 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.381 5.028 3.943 1.00 0.00 O ATOM 723 CG2 THR A 468 -7.897 3.857 5.891 1.00 0.00 C ATOM 0 H THR A 468 -7.399 3.349 1.770 1.00 0.00 H new ATOM 0 HA THR A 468 -6.288 2.532 4.425 1.00 0.00 H new ATOM 0 HB THR A 468 -9.035 3.657 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.885 5.791 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.536 4.652 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.219 2.901 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.864 4.049 6.183 1.00 0.00 H new ATOM 731 N VAL A 469 -7.340 0.390 4.331 1.00 0.00 N ATOM 732 CA VAL A 469 -7.923 -0.941 4.292 1.00 0.00 C ATOM 733 C VAL A 469 -8.289 -1.374 5.713 1.00 0.00 C ATOM 734 O VAL A 469 -7.452 -1.333 6.613 1.00 0.00 O ATOM 735 CB VAL A 469 -6.964 -1.912 3.599 1.00 0.00 C ATOM 736 CG1 VAL A 469 -7.596 -3.298 3.459 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.524 -1.370 2.238 1.00 0.00 C ATOM 0 H VAL A 469 -6.535 0.485 4.950 1.00 0.00 H new ATOM 0 HA VAL A 469 -8.842 -0.939 3.706 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.076 -2.010 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -6.895 -3.969 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -7.837 -3.690 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -8.508 -3.224 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -5.843 -2.079 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.398 -1.229 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.016 -0.415 2.374 1.00 0.00 H new ATOM 747 N ASP A 470 -9.541 -1.779 5.869 1.00 0.00 N ATOM 748 CA ASP A 470 -10.028 -2.219 7.166 1.00 0.00 C ATOM 749 C ASP A 470 -9.622 -3.677 7.390 1.00 0.00 C ATOM 750 O ASP A 470 -9.581 -4.466 6.447 1.00 0.00 O ATOM 751 CB ASP A 470 -11.554 -2.137 7.237 1.00 0.00 C ATOM 752 CG ASP A 470 -12.179 -2.779 8.477 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.488 -3.979 8.488 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.348 -1.981 9.477 1.00 0.00 O ATOM 0 H ASP A 470 -10.232 -1.812 5.120 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.596 -1.570 7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -11.848 -1.088 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -11.970 -2.615 6.350 1.00 0.00 H new ATOM 760 N ILE A 471 -9.332 -3.990 8.644 1.00 0.00 N ATOM 761 CA ILE A 471 -8.930 -5.339 9.005 1.00 0.00 C ATOM 762 C ILE A 471 -9.736 -5.799 10.221 1.00 0.00 C ATOM 763 O ILE A 471 -9.268 -6.624 11.005 1.00 0.00 O ATOM 764 CB ILE A 471 -7.415 -5.411 9.208 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.012 -4.787 10.546 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.673 -4.774 8.031 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.501 -4.895 10.767 1.00 0.00 C ATOM 0 H ILE A 471 -9.367 -3.333 9.423 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.153 -6.032 8.194 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.124 -6.461 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.313 -3.740 10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.539 -5.287 11.358 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.598 -4.839 8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.928 -5.302 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -6.964 -3.727 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.240 -4.444 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.208 -5.945 10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -4.978 -4.373 9.966 1.00 0.00 H new ATOM 779 N GLY A 472 -10.934 -5.246 10.341 1.00 0.00 N ATOM 780 CA GLY A 472 -11.809 -5.589 11.449 1.00 0.00 C ATOM 781 C GLY A 472 -11.969 -7.105 11.573 1.00 0.00 C ATOM 782 O GLY A 472 -12.978 -7.664 11.146 1.00 0.00 O ATOM 0 H GLY A 472 -11.319 -4.563 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.402 -5.186 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.786 -5.128 11.302 1.00 0.00 H new ATOM 786 N SER A 473 -10.957 -7.729 12.159 1.00 0.00 N ATOM 787 CA SER A 473 -10.973 -9.170 12.344 1.00 0.00 C ATOM 788 C SER A 473 -9.547 -9.721 12.275 1.00 0.00 C ATOM 789 O SER A 473 -9.295 -10.852 12.688 1.00 0.00 O ATOM 790 CB SER A 473 -11.856 -9.850 11.296 1.00 0.00 C ATOM 791 OG SER A 473 -13.212 -9.947 11.723 1.00 0.00 O ATOM 0 H SER A 473 -10.121 -7.263 12.512 1.00 0.00 H new ATOM 0 HA SER A 473 -11.392 -9.385 13.327 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.809 -9.289 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.469 -10.848 11.088 1.00 0.00 H new ATOM 0 HG SER A 473 -13.706 -9.155 11.425 1.00 0.00 H new ATOM 797 N ALA A 474 -8.652 -8.897 11.750 1.00 0.00 N ATOM 798 CA ALA A 474 -7.259 -9.288 11.622 1.00 0.00 C ATOM 799 C ALA A 474 -6.378 -8.266 12.343 1.00 0.00 C ATOM 800 O ALA A 474 -6.581 -7.060 12.207 1.00 0.00 O ATOM 801 CB ALA A 474 -6.901 -9.424 10.141 1.00 0.00 C ATOM 0 H ALA A 474 -8.865 -7.960 11.408 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.088 -10.258 12.089 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.856 -9.717 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.535 -10.183 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.057 -8.469 9.640 1.00 0.00 H new ATOM 807 N SER A 475 -5.419 -8.785 13.095 1.00 0.00 N ATOM 808 CA SER A 475 -4.507 -7.932 13.838 1.00 0.00 C ATOM 809 C SER A 475 -3.443 -7.360 12.899 1.00 0.00 C ATOM 810 O SER A 475 -2.664 -6.494 13.293 1.00 0.00 O ATOM 811 CB SER A 475 -3.845 -8.701 14.984 1.00 0.00 C ATOM 812 OG SER A 475 -4.374 -8.327 16.253 1.00 0.00 O ATOM 0 H SER A 475 -5.254 -9.785 13.206 1.00 0.00 H new ATOM 0 HA SER A 475 -5.081 -7.112 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.988 -9.771 14.833 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.771 -8.518 14.971 1.00 0.00 H new ATOM 0 HG SER A 475 -3.927 -8.841 16.958 1.00 0.00 H new ATOM 818 N GLN A 476 -3.446 -7.866 11.675 1.00 0.00 N ATOM 819 CA GLN A 476 -2.491 -7.416 10.677 1.00 0.00 C ATOM 820 C GLN A 476 -3.052 -7.631 9.270 1.00 0.00 C ATOM 821 O GLN A 476 -3.996 -8.397 9.085 1.00 0.00 O ATOM 822 CB GLN A 476 -1.146 -8.127 10.845 1.00 0.00 C ATOM 823 CG GLN A 476 -0.166 -7.264 11.642 1.00 0.00 C ATOM 824 CD GLN A 476 1.095 -8.054 12.000 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.577 -8.030 13.120 1.00 0.00 O ATOM 826 NE2 GLN A 476 1.599 -8.754 10.987 1.00 0.00 N ATOM 0 H GLN A 476 -4.095 -8.584 11.352 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.321 -6.349 10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.295 -9.079 11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.725 -8.352 9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 476 0.105 -6.383 11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.647 -6.908 12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 476 1.145 -8.729 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.440 -9.315 11.123 1.00 0.00 H new ATOM 835 N LEU A 477 -2.448 -6.941 8.314 1.00 0.00 N ATOM 836 CA LEU A 477 -2.876 -7.046 6.930 1.00 0.00 C ATOM 837 C LEU A 477 -1.649 -7.014 6.017 1.00 0.00 C ATOM 838 O LEU A 477 -0.717 -6.245 6.250 1.00 0.00 O ATOM 839 CB LEU A 477 -3.912 -5.967 6.606 1.00 0.00 C ATOM 840 CG LEU A 477 -3.978 -5.519 5.144 1.00 0.00 C ATOM 841 CD1 LEU A 477 -5.203 -4.636 4.897 1.00 0.00 C ATOM 842 CD2 LEU A 477 -2.679 -4.828 4.723 1.00 0.00 C ATOM 0 H LEU A 477 -1.665 -6.307 8.471 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.377 -7.999 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.895 -6.336 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.704 -5.094 7.224 1.00 0.00 H new ATOM 0 HG LEU A 477 -4.088 -6.405 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -5.227 -4.331 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -6.108 -5.196 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.148 -3.751 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.752 -4.520 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -2.513 -3.952 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -1.845 -5.520 4.839 1.00 0.00 H new ATOM 854 N GLU A 478 -1.688 -7.858 4.996 1.00 0.00 N ATOM 855 CA GLU A 478 -0.590 -7.936 4.047 1.00 0.00 C ATOM 856 C GLU A 478 -0.996 -7.308 2.713 1.00 0.00 C ATOM 857 O GLU A 478 -2.033 -7.655 2.149 1.00 0.00 O ATOM 858 CB GLU A 478 -0.133 -9.384 3.856 1.00 0.00 C ATOM 859 CG GLU A 478 1.391 -9.492 3.929 1.00 0.00 C ATOM 860 CD GLU A 478 1.825 -10.929 4.224 1.00 0.00 C ATOM 861 OE1 GLU A 478 1.135 -11.645 4.965 1.00 0.00 O ATOM 862 OE2 GLU A 478 2.922 -11.296 3.653 1.00 0.00 O ATOM 0 H GLU A 478 -2.463 -8.494 4.805 1.00 0.00 H new ATOM 0 HA GLU A 478 0.253 -7.374 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.583 -10.015 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.482 -9.755 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.828 -9.163 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.770 -8.827 4.705 1.00 0.00 H new ATOM 870 N ALA A 479 -0.158 -6.394 2.246 1.00 0.00 N ATOM 871 CA ALA A 479 -0.417 -5.714 0.989 1.00 0.00 C ATOM 872 C ALA A 479 0.910 -5.451 0.273 1.00 0.00 C ATOM 873 O ALA A 479 1.972 -5.501 0.890 1.00 0.00 O ATOM 874 CB ALA A 479 -1.199 -4.426 1.256 1.00 0.00 C ATOM 0 H ALA A 479 0.701 -6.109 2.716 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.027 -6.337 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.393 -3.916 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -2.146 -4.669 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.616 -3.775 1.907 1.00 0.00 H new ATOM 880 N ALA A 480 0.804 -5.178 -1.019 1.00 0.00 N ATOM 881 CA ALA A 480 1.982 -4.909 -1.826 1.00 0.00 C ATOM 882 C ALA A 480 1.691 -3.743 -2.773 1.00 0.00 C ATOM 883 O ALA A 480 0.541 -3.331 -2.920 1.00 0.00 O ATOM 884 CB ALA A 480 2.392 -6.179 -2.573 1.00 0.00 C ATOM 0 H ALA A 480 -0.080 -5.137 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 480 2.821 -4.619 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.276 -5.976 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.617 -6.967 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.576 -6.500 -3.220 1.00 0.00 H new ATOM 890 N PHE A 481 2.752 -3.246 -3.392 1.00 0.00 N ATOM 891 CA PHE A 481 2.624 -2.136 -4.321 1.00 0.00 C ATOM 892 C PHE A 481 2.863 -2.596 -5.760 1.00 0.00 C ATOM 893 O PHE A 481 3.682 -3.480 -6.005 1.00 0.00 O ATOM 894 CB PHE A 481 3.693 -1.110 -3.941 1.00 0.00 C ATOM 895 CG PHE A 481 4.106 -0.187 -5.090 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.156 0.471 -5.808 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.421 -0.025 -5.394 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.539 1.328 -6.874 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.804 0.831 -6.460 1.00 0.00 C ATOM 900 CZ PHE A 481 4.855 1.490 -7.178 1.00 0.00 C ATOM 0 H PHE A 481 3.704 -3.591 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 481 1.620 -1.717 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.322 -0.502 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.575 -1.637 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.111 0.342 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.175 -0.548 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.785 1.851 -7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.849 0.959 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.146 2.141 -7.989 1.00 0.00 H new ATOM 910 N ASN A 482 2.133 -1.975 -6.675 1.00 0.00 N ATOM 911 CA ASN A 482 2.255 -2.310 -8.084 1.00 0.00 C ATOM 912 C ASN A 482 1.657 -1.180 -8.925 1.00 0.00 C ATOM 913 O ASN A 482 0.580 -0.673 -8.615 1.00 0.00 O ATOM 914 CB ASN A 482 1.495 -3.597 -8.412 1.00 0.00 C ATOM 915 CG ASN A 482 0.009 -3.457 -8.077 1.00 0.00 C ATOM 916 OD1 ASN A 482 -0.857 -3.542 -8.932 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.237 -3.238 -6.788 1.00 0.00 N ATOM 0 H ASN A 482 1.455 -1.242 -6.468 1.00 0.00 H new ATOM 0 HA ASN A 482 3.313 -2.449 -8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.612 -3.833 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.921 -4.428 -7.851 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.198 -3.130 -6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 482 0.535 -3.178 -6.124 1.00 0.00 H new ATOM 924 N ASP A 483 2.382 -0.820 -9.974 1.00 0.00 N ATOM 925 CA ASP A 483 1.937 0.240 -10.863 1.00 0.00 C ATOM 926 C ASP A 483 0.819 -0.290 -11.763 1.00 0.00 C ATOM 927 O ASP A 483 0.210 0.469 -12.515 1.00 0.00 O ATOM 928 CB ASP A 483 3.078 0.721 -11.761 1.00 0.00 C ATOM 929 CG ASP A 483 3.896 -0.391 -12.420 1.00 0.00 C ATOM 930 OD1 ASP A 483 4.708 -0.138 -13.322 1.00 0.00 O ATOM 931 OD2 ASP A 483 3.668 -1.577 -11.966 1.00 0.00 O ATOM 0 H ASP A 483 3.274 -1.243 -10.228 1.00 0.00 H new ATOM 0 HA ASP A 483 1.587 1.070 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.662 1.357 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.749 1.342 -11.168 1.00 0.00 H new ATOM 1097 N ASN A 495 4.594 -10.415 -0.323 1.00 0.00 N ATOM 1098 CA ASN A 495 3.887 -9.184 -0.013 1.00 0.00 C ATOM 1099 C ASN A 495 4.354 -8.661 1.347 1.00 0.00 C ATOM 1100 O ASN A 495 5.013 -9.378 2.098 1.00 0.00 O ATOM 1101 CB ASN A 495 2.377 -9.420 0.064 1.00 0.00 C ATOM 1102 CG ASN A 495 2.062 -10.703 0.837 1.00 0.00 C ATOM 1103 OD1 ASN A 495 2.929 -11.508 1.134 1.00 0.00 O ATOM 1104 ND2 ASN A 495 0.776 -10.847 1.143 1.00 0.00 N ATOM 0 HA ASN A 495 4.100 -8.465 -0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 495 1.897 -8.571 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 495 1.964 -9.487 -0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.463 -11.670 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 495 0.102 -10.134 0.863 1.00 0.00 H new ATOM 1111 N TYR A 496 3.994 -7.416 1.622 1.00 0.00 N ATOM 1112 CA TYR A 496 4.368 -6.789 2.878 1.00 0.00 C ATOM 1113 C TYR A 496 3.241 -6.907 3.907 1.00 0.00 C ATOM 1114 O TYR A 496 2.070 -6.998 3.542 1.00 0.00 O ATOM 1115 CB TYR A 496 4.599 -5.311 2.559 1.00 0.00 C ATOM 1116 CG TYR A 496 5.731 -5.059 1.562 1.00 0.00 C ATOM 1117 CD1 TYR A 496 7.011 -5.491 1.847 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.474 -4.399 0.377 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.076 -5.254 0.908 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.539 -4.162 -0.562 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.788 -4.601 -0.250 1.00 0.00 C ATOM 1122 OH TYR A 496 8.795 -4.377 -1.137 1.00 0.00 O ATOM 0 H TYR A 496 3.447 -6.825 0.996 1.00 0.00 H new ATOM 0 HA TYR A 496 5.252 -7.269 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.677 -4.888 2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.820 -4.780 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.213 -6.007 2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.473 -4.060 0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.082 -5.587 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.351 -3.648 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 496 8.416 -4.125 -2.005 1.00 0.00 H new ATOM 1132 N SER A 497 3.635 -6.901 5.172 1.00 0.00 N ATOM 1133 CA SER A 497 2.674 -7.006 6.256 1.00 0.00 C ATOM 1134 C SER A 497 2.677 -5.720 7.086 1.00 0.00 C ATOM 1135 O SER A 497 3.736 -5.156 7.357 1.00 0.00 O ATOM 1136 CB SER A 497 2.976 -8.213 7.146 1.00 0.00 C ATOM 1137 OG SER A 497 2.051 -8.328 8.223 1.00 0.00 O ATOM 0 H SER A 497 4.607 -6.825 5.470 1.00 0.00 H new ATOM 0 HA SER A 497 1.684 -7.148 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.948 -9.122 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 497 3.987 -8.126 7.544 1.00 0.00 H new ATOM 0 HG SER A 497 1.665 -9.229 8.228 1.00 0.00 H new ATOM 1143 N PHE A 498 1.481 -5.296 7.466 1.00 0.00 N ATOM 1144 CA PHE A 498 1.334 -4.087 8.259 1.00 0.00 C ATOM 1145 C PHE A 498 0.304 -4.285 9.373 1.00 0.00 C ATOM 1146 O PHE A 498 -0.703 -4.964 9.179 1.00 0.00 O ATOM 1147 CB PHE A 498 0.840 -2.990 7.314 1.00 0.00 C ATOM 1148 CG PHE A 498 1.529 -2.989 5.947 1.00 0.00 C ATOM 1149 CD1 PHE A 498 2.731 -2.374 5.792 1.00 0.00 C ATOM 1150 CD2 PHE A 498 0.938 -3.604 4.888 1.00 0.00 C ATOM 1151 CE1 PHE A 498 3.370 -2.373 4.523 1.00 0.00 C ATOM 1152 CE2 PHE A 498 1.576 -3.604 3.620 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.779 -2.988 3.464 1.00 0.00 C ATOM 0 H PHE A 498 0.605 -5.767 7.240 1.00 0.00 H new ATOM 0 HA PHE A 498 2.286 -3.827 8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.234 -3.107 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.994 -2.020 7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.200 -1.886 6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 498 -0.017 -4.093 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 498 4.325 -1.884 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.107 -4.093 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.264 -2.987 2.499 1.00 0.00 H new ATOM 1163 N SER A 499 0.592 -3.679 10.516 1.00 0.00 N ATOM 1164 CA SER A 499 -0.296 -3.781 11.661 1.00 0.00 C ATOM 1165 C SER A 499 -1.155 -2.519 11.770 1.00 0.00 C ATOM 1166 O SER A 499 -0.724 -1.435 11.381 1.00 0.00 O ATOM 1167 CB SER A 499 0.494 -3.998 12.953 1.00 0.00 C ATOM 1168 OG SER A 499 1.878 -3.698 12.790 1.00 0.00 O ATOM 0 H SER A 499 1.428 -3.116 10.673 1.00 0.00 H new ATOM 0 HA SER A 499 -0.945 -4.644 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 499 0.078 -3.371 13.742 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.383 -5.033 13.276 1.00 0.00 H new ATOM 0 HG SER A 499 2.347 -3.847 13.637 1.00 0.00 H new ATOM 1174 N THR A 500 -2.355 -2.703 12.301 1.00 0.00 N ATOM 1175 CA THR A 500 -3.279 -1.594 12.466 1.00 0.00 C ATOM 1176 C THR A 500 -2.511 -0.284 12.650 1.00 0.00 C ATOM 1177 O THR A 500 -1.473 -0.255 13.311 1.00 0.00 O ATOM 1178 CB THR A 500 -4.209 -1.923 13.636 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.322 -2.209 14.714 1.00 0.00 O ATOM 1180 CG2 THR A 500 -4.974 -3.231 13.425 1.00 0.00 C ATOM 0 H THR A 500 -2.709 -3.604 12.623 1.00 0.00 H new ATOM 0 HA THR A 500 -3.891 -1.453 11.575 1.00 0.00 H new ATOM 0 HB THR A 500 -4.918 -1.107 13.778 1.00 0.00 H new ATOM 0 HG1 THR A 500 -3.841 -2.431 15.515 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.619 -3.418 14.284 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.582 -3.155 12.524 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.266 -4.053 13.317 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.050 0.770 12.055 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.428 2.080 12.144 1.00 0.00 C ATOM 1190 C GLY A 501 -2.185 2.668 10.753 1.00 0.00 C ATOM 1191 O GLY A 501 -2.965 2.433 9.831 1.00 0.00 O ATOM 0 H GLY A 501 -3.911 0.743 11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.066 2.751 12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.482 2.002 12.680 1.00 0.00 H new ATOM 1195 N THR A 502 -1.101 3.421 10.645 1.00 0.00 N ATOM 1196 CA THR A 502 -0.745 4.045 9.382 1.00 0.00 C ATOM 1197 C THR A 502 0.718 3.759 9.038 1.00 0.00 C ATOM 1198 O THR A 502 1.584 3.803 9.910 1.00 0.00 O ATOM 1199 CB THR A 502 -1.064 5.538 9.485 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.364 5.576 10.068 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.251 6.194 8.115 1.00 0.00 C ATOM 0 H THR A 502 -0.457 3.613 11.412 1.00 0.00 H new ATOM 0 HA THR A 502 -1.326 3.629 8.559 1.00 0.00 H new ATOM 0 HB THR A 502 -0.262 6.044 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.649 6.508 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.475 7.253 8.246 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.336 6.086 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.075 5.711 7.590 1.00 0.00 H new ATOM 1209 N SER A 503 0.948 3.472 7.765 1.00 0.00 N ATOM 1210 CA SER A 503 2.292 3.178 7.296 1.00 0.00 C ATOM 1211 C SER A 503 2.575 3.948 6.004 1.00 0.00 C ATOM 1212 O SER A 503 1.667 4.189 5.210 1.00 0.00 O ATOM 1213 CB SER A 503 2.481 1.677 7.072 1.00 0.00 C ATOM 1214 OG SER A 503 1.371 1.095 6.393 1.00 0.00 O ATOM 0 H SER A 503 0.227 3.437 7.044 1.00 0.00 H new ATOM 0 HA SER A 503 2.999 3.495 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.389 1.508 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.619 1.181 8.033 1.00 0.00 H new ATOM 0 HG SER A 503 1.530 0.136 6.267 1.00 0.00 H new ATOM 1220 N THR A 504 3.837 4.312 5.834 1.00 0.00 N ATOM 1221 CA THR A 504 4.251 5.049 4.653 1.00 0.00 C ATOM 1222 C THR A 504 5.217 4.212 3.812 1.00 0.00 C ATOM 1223 O THR A 504 6.104 3.553 4.352 1.00 0.00 O ATOM 1224 CB THR A 504 4.844 6.383 5.111 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.709 7.156 5.490 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.466 7.174 3.959 1.00 0.00 C ATOM 0 H THR A 504 4.587 4.110 6.495 1.00 0.00 H new ATOM 0 HA THR A 504 3.402 5.260 4.002 1.00 0.00 H new ATOM 0 HB THR A 504 5.600 6.200 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 504 2.920 6.577 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.872 8.112 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.267 6.589 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.703 7.386 3.210 1.00 0.00 H new ATOM 1234 N TYR A 505 5.011 4.264 2.504 1.00 0.00 N ATOM 1235 CA TYR A 505 5.852 3.518 1.584 1.00 0.00 C ATOM 1236 C TYR A 505 6.525 4.452 0.576 1.00 0.00 C ATOM 1237 O TYR A 505 5.848 5.134 -0.192 1.00 0.00 O ATOM 1238 CB TYR A 505 4.917 2.567 0.834 1.00 0.00 C ATOM 1239 CG TYR A 505 5.629 1.383 0.177 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.586 1.606 -0.792 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.314 0.093 0.553 1.00 0.00 C ATOM 1242 CE1 TYR A 505 7.257 0.492 -1.411 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.985 -1.021 -0.066 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.923 -0.767 -1.017 1.00 0.00 C ATOM 1245 OH TYR A 505 7.556 -1.819 -1.602 1.00 0.00 O ATOM 0 H TYR A 505 4.274 4.811 2.060 1.00 0.00 H new ATOM 0 HA TYR A 505 6.638 2.991 2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.168 2.187 1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.384 3.128 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.832 2.616 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.565 -0.081 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 505 8.008 0.652 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.748 -2.036 0.219 1.00 0.00 H new ATOM 0 HH TYR A 505 7.563 -2.581 -0.985 1.00 0.00 H new ATOM 1255 N THR A 506 7.850 4.453 0.612 1.00 0.00 N ATOM 1256 CA THR A 506 8.622 5.292 -0.288 1.00 0.00 C ATOM 1257 C THR A 506 9.512 4.432 -1.187 1.00 0.00 C ATOM 1258 O THR A 506 10.341 3.666 -0.697 1.00 0.00 O ATOM 1259 CB THR A 506 9.404 6.298 0.558 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.434 7.278 0.917 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.434 7.078 -0.262 1.00 0.00 C ATOM 0 H THR A 506 8.408 3.886 1.250 1.00 0.00 H new ATOM 0 HA THR A 506 7.973 5.849 -0.964 1.00 0.00 H new ATOM 0 HB THR A 506 9.908 5.774 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.856 7.969 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.961 7.778 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.149 6.384 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.927 7.629 -1.054 1.00 0.00 H new ATOM 1269 N PRO A 507 9.306 4.592 -2.522 1.00 0.00 N ATOM 1270 CA PRO A 507 10.081 3.839 -3.494 1.00 0.00 C ATOM 1271 C PRO A 507 11.502 4.394 -3.612 1.00 0.00 C ATOM 1272 O PRO A 507 11.703 5.607 -3.572 1.00 0.00 O ATOM 1273 CB PRO A 507 9.293 3.943 -4.790 1.00 0.00 C ATOM 1274 CG PRO A 507 8.357 5.127 -4.615 1.00 0.00 C ATOM 1275 CD PRO A 507 8.335 5.490 -3.139 1.00 0.00 C ATOM 0 HA PRO A 507 10.216 2.796 -3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 507 9.958 4.093 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 507 8.733 3.028 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 507 8.697 5.974 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 507 7.355 4.875 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 507 8.607 6.534 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 507 7.342 5.353 -2.712 1.00 0.00 H new ATOM 1346 N GLY A 514 11.844 -0.870 -1.762 1.00 0.00 N ATOM 1347 CA GLY A 514 10.692 -0.168 -1.222 1.00 0.00 C ATOM 1348 C GLY A 514 10.766 -0.086 0.304 1.00 0.00 C ATOM 1349 O GLY A 514 10.702 -1.107 0.988 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.644 0.837 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.777 -0.681 -1.518 1.00 0.00 H new ATOM 1353 N THR A 515 10.899 1.138 0.793 1.00 0.00 N ATOM 1354 CA THR A 515 10.982 1.366 2.226 1.00 0.00 C ATOM 1355 C THR A 515 9.589 1.603 2.811 1.00 0.00 C ATOM 1356 O THR A 515 8.772 2.302 2.213 1.00 0.00 O ATOM 1357 CB THR A 515 11.947 2.530 2.464 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.820 3.331 1.292 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.411 2.088 2.456 1.00 0.00 C ATOM 0 H THR A 515 10.951 1.982 0.223 1.00 0.00 H new ATOM 0 HA THR A 515 11.372 0.490 2.744 1.00 0.00 H new ATOM 0 HB THR A 515 11.716 3.003 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.873 3.414 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 515 14.053 2.952 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.573 1.352 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.652 1.645 1.490 1.00 0.00 H new ATOM 1367 N ILE A 516 9.360 1.007 3.971 1.00 0.00 N ATOM 1368 CA ILE A 516 8.078 1.144 4.643 1.00 0.00 C ATOM 1369 C ILE A 516 8.302 1.699 6.051 1.00 0.00 C ATOM 1370 O ILE A 516 9.232 1.287 6.744 1.00 0.00 O ATOM 1371 CB ILE A 516 7.316 -0.183 4.619 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.553 -0.928 3.304 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.827 0.035 4.894 1.00 0.00 C ATOM 1374 CD1 ILE A 516 6.955 -2.335 3.355 1.00 0.00 C ATOM 0 H ILE A 516 10.040 0.428 4.463 1.00 0.00 H new ATOM 0 HA ILE A 516 7.446 1.858 4.115 1.00 0.00 H new ATOM 0 HB ILE A 516 7.703 -0.813 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 516 7.108 -0.370 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.623 -0.991 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.309 -0.924 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.701 0.492 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.409 0.692 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.138 -2.843 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 516 7.419 -2.899 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 516 5.881 -2.268 3.529 1.00 0.00 H new ATOM 1386 N THR A 517 7.435 2.625 6.432 1.00 0.00 N ATOM 1387 CA THR A 517 7.527 3.241 7.745 1.00 0.00 C ATOM 1388 C THR A 517 6.192 3.126 8.483 1.00 0.00 C ATOM 1389 O THR A 517 5.156 2.880 7.865 1.00 0.00 O ATOM 1390 CB THR A 517 7.994 4.686 7.557 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.385 5.092 6.335 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.495 4.784 7.276 1.00 0.00 C ATOM 0 H THR A 517 6.665 2.964 5.855 1.00 0.00 H new ATOM 0 HA THR A 517 8.255 2.727 8.373 1.00 0.00 H new ATOM 0 HB THR A 517 7.753 5.264 8.449 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.660 6.008 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.774 5.830 7.151 1.00 0.00 H new ATOM 0 HG22 THR A 517 10.050 4.358 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.731 4.234 6.365 1.00 0.00 H new ATOM 1400 N SER A 518 6.258 3.309 9.793 1.00 0.00 N ATOM 1401 CA SER A 518 5.067 3.228 10.622 1.00 0.00 C ATOM 1402 C SER A 518 4.632 4.631 11.051 1.00 0.00 C ATOM 1403 O SER A 518 5.083 5.137 12.077 1.00 0.00 O ATOM 1404 CB SER A 518 5.310 2.348 11.850 1.00 0.00 C ATOM 1405 OG SER A 518 5.479 0.977 11.500 1.00 0.00 O ATOM 0 H SER A 518 7.118 3.513 10.302 1.00 0.00 H new ATOM 0 HA SER A 518 4.271 2.772 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.197 2.699 12.378 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.470 2.446 12.538 1.00 0.00 H new ATOM 0 HG SER A 518 5.633 0.449 12.311 1.00 0.00 H new ATOM 1411 N GLY A 519 3.761 5.218 10.244 1.00 0.00 N ATOM 1412 CA GLY A 519 3.260 6.552 10.527 1.00 0.00 C ATOM 1413 C GLY A 519 3.314 7.434 9.278 1.00 0.00 C ATOM 1414 O GLY A 519 4.331 7.478 8.588 1.00 0.00 O ATOM 0 H GLY A 519 3.389 4.794 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.234 6.490 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.851 7.005 11.323 1.00 0.00 H new ATOM 1418 N ALA A 520 2.206 8.116 9.026 1.00 0.00 N ATOM 1419 CA ALA A 520 2.114 8.995 7.873 1.00 0.00 C ATOM 1420 C ALA A 520 3.198 10.070 7.968 1.00 0.00 C ATOM 1421 O ALA A 520 3.681 10.375 9.058 1.00 0.00 O ATOM 1422 CB ALA A 520 0.707 9.590 7.795 1.00 0.00 C ATOM 0 H ALA A 520 1.364 8.077 9.601 1.00 0.00 H new ATOM 0 HA ALA A 520 2.283 8.438 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.638 10.249 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.023 8.786 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.502 10.159 8.702 1.00 0.00 H new ATOM 1428 N PRO A 521 3.558 10.631 6.783 1.00 0.00 N ATOM 1429 CA PRO A 521 4.576 11.666 6.723 1.00 0.00 C ATOM 1430 C PRO A 521 4.029 13.003 7.228 1.00 0.00 C ATOM 1431 O PRO A 521 2.838 13.281 7.093 1.00 0.00 O ATOM 1432 CB PRO A 521 5.004 11.712 5.265 1.00 0.00 C ATOM 1433 CG PRO A 521 3.892 11.035 4.482 1.00 0.00 C ATOM 1434 CD PRO A 521 3.008 10.295 5.473 1.00 0.00 C ATOM 0 HA PRO A 521 5.429 11.456 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.146 12.740 4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.953 11.196 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.311 11.773 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.308 10.343 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.968 10.610 5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.031 9.219 5.298 1.00 0.00 H new