USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 288 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 NoAdj-H: A 430 HIS HE2 : A 430 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 TYR OH : rot 165:sc= -0.159 USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 419 LYS NZ :NH3+ -172:sc=-0.00312 (180deg=-0.0727) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 130:sc= -0.0524 USER MOD Single : A 426 HIS : no HD1:sc= -0.23 X(o=-0.23,f=7.7e-05) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 441 SER OG : rot 28:sc= 0.217 USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 402 -8.548 20.519 -14.082 1.00 0.00 N ATOM 2 CA GLY A 402 -8.251 21.461 -13.018 1.00 0.00 C ATOM 3 C GLY A 402 -7.301 20.888 -11.985 1.00 0.00 C ATOM 4 O GLY A 402 -7.733 20.355 -10.963 1.00 0.00 O ATOM 0 HA2 GLY A 402 -7.815 22.363 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -9.179 21.757 -12.529 1.00 0.00 H new ATOM 8 N SER A 403 -6.004 20.997 -12.251 1.00 0.00 N ATOM 9 CA SER A 403 -4.990 20.481 -11.339 1.00 0.00 C ATOM 10 C SER A 403 -3.591 20.880 -11.799 1.00 0.00 C ATOM 11 O SER A 403 -3.331 21.004 -12.996 1.00 0.00 O ATOM 12 CB SER A 403 -5.091 18.957 -11.240 1.00 0.00 C ATOM 13 OG SER A 403 -4.732 18.342 -12.465 1.00 0.00 O ATOM 0 H SER A 403 -5.630 21.438 -13.091 1.00 0.00 H new ATOM 0 HA SER A 403 -5.167 20.915 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 403 -4.439 18.597 -10.444 1.00 0.00 H new ATOM 0 HB3 SER A 403 -6.109 18.673 -10.971 1.00 0.00 H new ATOM 0 HG SER A 403 -4.803 17.369 -12.376 1.00 0.00 H new ATOM 19 N SER A 404 -2.694 21.081 -10.839 1.00 0.00 N ATOM 20 CA SER A 404 -1.323 21.470 -11.143 1.00 0.00 C ATOM 21 C SER A 404 -0.347 20.846 -10.150 1.00 0.00 C ATOM 22 O SER A 404 -0.662 20.685 -8.971 1.00 0.00 O ATOM 23 CB SER A 404 -1.186 22.994 -11.121 1.00 0.00 C ATOM 24 OG SER A 404 -2.073 23.599 -12.045 1.00 0.00 O ATOM 0 H SER A 404 -2.893 20.981 -9.844 1.00 0.00 H new ATOM 0 HA SER A 404 -1.081 21.105 -12.141 1.00 0.00 H new ATOM 0 HB2 SER A 404 -1.392 23.366 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 404 -0.160 23.274 -11.361 1.00 0.00 H new ATOM 0 HG SER A 404 -1.967 24.573 -12.011 1.00 0.00 H new ATOM 30 N GLY A 405 0.840 20.495 -10.636 1.00 0.00 N ATOM 31 CA GLY A 405 1.844 19.893 -9.779 1.00 0.00 C ATOM 32 C GLY A 405 1.602 18.413 -9.555 1.00 0.00 C ATOM 33 O GLY A 405 0.649 18.028 -8.877 1.00 0.00 O ATOM 0 H GLY A 405 1.124 20.617 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 405 2.829 20.034 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 405 1.852 20.406 -8.818 1.00 0.00 H new ATOM 37 N SER A 406 2.466 17.581 -10.126 1.00 0.00 N ATOM 38 CA SER A 406 2.339 16.134 -9.991 1.00 0.00 C ATOM 39 C SER A 406 3.178 15.623 -8.823 1.00 0.00 C ATOM 40 O SER A 406 4.180 16.232 -8.450 1.00 0.00 O ATOM 41 CB SER A 406 2.768 15.440 -11.284 1.00 0.00 C ATOM 42 OG SER A 406 4.178 15.315 -11.352 1.00 0.00 O ATOM 0 H SER A 406 3.262 17.884 -10.687 1.00 0.00 H new ATOM 0 HA SER A 406 1.292 15.902 -9.794 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.309 14.453 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.408 16.008 -12.142 1.00 0.00 H new ATOM 0 HG SER A 406 4.427 14.867 -12.187 1.00 0.00 H new ATOM 48 N SER A 407 2.759 14.499 -8.250 1.00 0.00 N ATOM 49 CA SER A 407 3.468 13.906 -7.122 1.00 0.00 C ATOM 50 C SER A 407 4.466 12.856 -7.599 1.00 0.00 C ATOM 51 O SER A 407 5.678 13.041 -7.490 1.00 0.00 O ATOM 52 CB SER A 407 2.475 13.275 -6.143 1.00 0.00 C ATOM 53 OG SER A 407 3.090 13.007 -4.895 1.00 0.00 O ATOM 0 H SER A 407 1.932 13.981 -8.548 1.00 0.00 H new ATOM 0 HA SER A 407 4.016 14.698 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 407 1.627 13.945 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 407 2.082 12.350 -6.564 1.00 0.00 H new ATOM 0 HG SER A 407 2.435 12.606 -4.287 1.00 0.00 H new ATOM 59 N GLY A 408 3.948 11.752 -8.129 1.00 0.00 N ATOM 60 CA GLY A 408 4.807 10.689 -8.615 1.00 0.00 C ATOM 61 C GLY A 408 4.030 9.442 -8.989 1.00 0.00 C ATOM 62 O GLY A 408 2.808 9.482 -9.125 1.00 0.00 O ATOM 0 H GLY A 408 2.949 11.575 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 408 5.361 11.043 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 408 5.541 10.440 -7.849 1.00 0.00 H new ATOM 66 N GLU A 409 4.741 8.331 -9.156 1.00 0.00 N ATOM 67 CA GLU A 409 4.110 7.068 -9.519 1.00 0.00 C ATOM 68 C GLU A 409 4.428 5.986 -8.491 1.00 0.00 C ATOM 69 O GLU A 409 5.418 5.265 -8.617 1.00 0.00 O ATOM 70 CB GLU A 409 4.574 6.621 -10.907 1.00 0.00 C ATOM 71 CG GLU A 409 3.561 5.756 -11.638 1.00 0.00 C ATOM 72 CD GLU A 409 4.133 5.118 -12.889 1.00 0.00 C ATOM 73 OE1 GLU A 409 5.356 5.241 -13.112 1.00 0.00 O ATOM 74 OE2 GLU A 409 3.358 4.497 -13.645 1.00 0.00 O ATOM 0 H GLU A 409 5.754 8.280 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 409 3.031 7.222 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 409 4.789 7.503 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 409 5.508 6.067 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 409 3.205 4.975 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 409 2.697 6.364 -11.907 1.00 0.00 H new ATOM 81 N LYS A 410 3.581 5.878 -7.473 1.00 0.00 N ATOM 82 CA LYS A 410 3.768 4.884 -6.423 1.00 0.00 C ATOM 83 C LYS A 410 3.418 3.488 -6.926 1.00 0.00 C ATOM 84 O LYS A 410 2.718 3.319 -7.924 1.00 0.00 O ATOM 85 CB LYS A 410 2.908 5.230 -5.206 1.00 0.00 C ATOM 86 CG LYS A 410 3.594 6.158 -4.219 1.00 0.00 C ATOM 87 CD LYS A 410 3.356 7.618 -4.568 1.00 0.00 C ATOM 88 CE LYS A 410 3.747 8.536 -3.420 1.00 0.00 C ATOM 89 NZ LYS A 410 5.222 8.571 -3.215 1.00 0.00 N ATOM 0 H LYS A 410 2.757 6.468 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 410 4.818 4.893 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 410 1.983 5.695 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 410 2.632 4.309 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 410 3.224 5.958 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 410 4.665 5.955 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 410 3.931 7.879 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 410 2.305 7.768 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 410 3.384 9.544 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 410 3.261 8.199 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 5.448 9.208 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 5.565 7.614 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 5.685 8.916 -4.080 1.00 0.00 H new ATOM 103 N PRO A 411 3.915 2.461 -6.220 1.00 0.00 N ATOM 104 CA PRO A 411 3.666 1.061 -6.576 1.00 0.00 C ATOM 105 C PRO A 411 2.217 0.651 -6.337 1.00 0.00 C ATOM 106 O PRO A 411 1.347 1.499 -6.135 1.00 0.00 O ATOM 107 CB PRO A 411 4.602 0.287 -5.644 1.00 0.00 C ATOM 108 CG PRO A 411 4.804 1.188 -4.475 1.00 0.00 C ATOM 109 CD PRO A 411 4.759 2.589 -5.019 1.00 0.00 C ATOM 0 HA PRO A 411 3.843 0.871 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 411 4.162 -0.663 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 411 5.548 0.057 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 411 4.027 1.035 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 411 5.759 0.989 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 411 4.331 3.286 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 411 5.755 2.957 -5.265 1.00 0.00 H new ATOM 117 N TYR A 412 1.965 -0.653 -6.359 1.00 0.00 N ATOM 118 CA TYR A 412 0.620 -1.174 -6.147 1.00 0.00 C ATOM 119 C TYR A 412 -0.004 -0.576 -4.889 1.00 0.00 C ATOM 120 O TYR A 412 0.383 -0.912 -3.770 1.00 0.00 O ATOM 121 CB TYR A 412 0.654 -2.700 -6.036 1.00 0.00 C ATOM 122 CG TYR A 412 1.405 -3.372 -7.163 1.00 0.00 C ATOM 123 CD1 TYR A 412 0.788 -3.625 -8.382 1.00 0.00 C ATOM 124 CD2 TYR A 412 2.732 -3.755 -7.009 1.00 0.00 C ATOM 125 CE1 TYR A 412 1.470 -4.239 -9.415 1.00 0.00 C ATOM 126 CE2 TYR A 412 3.422 -4.368 -8.037 1.00 0.00 C ATOM 127 CZ TYR A 412 2.787 -4.608 -9.237 1.00 0.00 C ATOM 128 OH TYR A 412 3.471 -5.220 -10.262 1.00 0.00 O ATOM 0 H TYR A 412 2.674 -1.368 -6.521 1.00 0.00 H new ATOM 0 HA TYR A 412 0.009 -0.891 -7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 412 1.115 -2.977 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.368 -3.077 -6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 412 -0.243 -3.337 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 412 3.232 -3.570 -6.070 1.00 0.00 H new ATOM 0 HE1 TYR A 412 0.975 -4.429 -10.356 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.454 -4.658 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 412 4.432 -5.199 -10.072 1.00 0.00 H new ATOM 138 N VAL A 413 -0.974 0.312 -5.083 1.00 0.00 N ATOM 139 CA VAL A 413 -1.654 0.957 -3.967 1.00 0.00 C ATOM 140 C VAL A 413 -3.078 0.434 -3.815 1.00 0.00 C ATOM 141 O VAL A 413 -3.916 0.616 -4.699 1.00 0.00 O ATOM 142 CB VAL A 413 -1.697 2.486 -4.143 1.00 0.00 C ATOM 143 CG1 VAL A 413 -2.431 3.138 -2.981 1.00 0.00 C ATOM 144 CG2 VAL A 413 -0.289 3.046 -4.276 1.00 0.00 C ATOM 0 H VAL A 413 -1.306 0.601 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 413 -1.084 0.718 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.243 2.713 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.451 4.218 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.452 2.759 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.917 2.904 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.338 4.128 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.283 2.809 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.198 2.603 -5.145 1.00 0.00 H new ATOM 154 N CYS A 414 -3.347 -0.217 -2.688 1.00 0.00 N ATOM 155 CA CYS A 414 -4.669 -0.768 -2.418 1.00 0.00 C ATOM 156 C CYS A 414 -5.749 0.295 -2.604 1.00 0.00 C ATOM 157 O CYS A 414 -5.675 1.380 -2.026 1.00 0.00 O ATOM 158 CB CYS A 414 -4.731 -1.330 -0.997 1.00 0.00 C ATOM 159 SG CYS A 414 -6.227 -2.308 -0.648 1.00 0.00 S ATOM 0 H CYS A 414 -2.665 -0.376 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 414 -4.851 -1.575 -3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 414 -3.854 -1.954 -0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 414 -4.677 -0.504 -0.288 1.00 0.00 H new ATOM 164 N THR A 415 -6.752 -0.024 -3.416 1.00 0.00 N ATOM 165 CA THR A 415 -7.847 0.902 -3.679 1.00 0.00 C ATOM 166 C THR A 415 -9.032 0.628 -2.761 1.00 0.00 C ATOM 167 O THR A 415 -10.175 0.934 -3.099 1.00 0.00 O ATOM 168 CB THR A 415 -8.316 0.815 -5.144 1.00 0.00 C ATOM 169 OG1 THR A 415 -8.535 -0.553 -5.508 1.00 0.00 O ATOM 170 CG2 THR A 415 -7.288 1.435 -6.078 1.00 0.00 C ATOM 0 H THR A 415 -6.829 -0.917 -3.903 1.00 0.00 H new ATOM 0 HA THR A 415 -7.466 1.905 -3.486 1.00 0.00 H new ATOM 0 HB THR A 415 -9.250 1.369 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 415 -8.835 -0.600 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 415 -7.640 1.362 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 415 -7.145 2.484 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 415 -6.341 0.904 -5.980 1.00 0.00 H new ATOM 178 N GLU A 416 -8.752 0.049 -1.597 1.00 0.00 N ATOM 179 CA GLU A 416 -9.797 -0.266 -0.630 1.00 0.00 C ATOM 180 C GLU A 416 -9.528 0.421 0.705 1.00 0.00 C ATOM 181 O GLU A 416 -10.414 1.055 1.280 1.00 0.00 O ATOM 182 CB GLU A 416 -9.895 -1.780 -0.427 1.00 0.00 C ATOM 183 CG GLU A 416 -11.204 -2.226 0.203 1.00 0.00 C ATOM 184 CD GLU A 416 -11.319 -1.820 1.659 1.00 0.00 C ATOM 185 OE1 GLU A 416 -10.293 -1.861 2.370 1.00 0.00 O ATOM 186 OE2 GLU A 416 -12.436 -1.462 2.088 1.00 0.00 O ATOM 0 H GLU A 416 -7.811 -0.211 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 416 -10.744 0.103 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -9.778 -2.276 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -9.068 -2.108 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -12.036 -1.798 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -11.290 -3.310 0.124 1.00 0.00 H new ATOM 193 N CYS A 417 -8.300 0.290 1.195 1.00 0.00 N ATOM 194 CA CYS A 417 -7.912 0.896 2.462 1.00 0.00 C ATOM 195 C CYS A 417 -6.861 1.982 2.247 1.00 0.00 C ATOM 196 O CYS A 417 -6.745 2.915 3.041 1.00 0.00 O ATOM 197 CB CYS A 417 -7.372 -0.170 3.418 1.00 0.00 C ATOM 198 SG CYS A 417 -5.801 -0.921 2.883 1.00 0.00 S ATOM 0 H CYS A 417 -7.555 -0.232 0.732 1.00 0.00 H new ATOM 0 HA CYS A 417 -8.797 1.354 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 417 -7.232 0.277 4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 417 -8.119 -0.956 3.528 1.00 0.00 H new ATOM 203 N GLY A 418 -6.096 1.851 1.167 1.00 0.00 N ATOM 204 CA GLY A 418 -5.065 2.827 0.867 1.00 0.00 C ATOM 205 C GLY A 418 -3.712 2.431 1.424 1.00 0.00 C ATOM 206 O GLY A 418 -3.311 2.894 2.492 1.00 0.00 O ATOM 0 H GLY A 418 -6.172 1.087 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.988 2.949 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -5.354 3.794 1.277 1.00 0.00 H new ATOM 210 N LYS A 419 -3.005 1.569 0.700 1.00 0.00 N ATOM 211 CA LYS A 419 -1.689 1.109 1.126 1.00 0.00 C ATOM 212 C LYS A 419 -0.822 0.751 -0.076 1.00 0.00 C ATOM 213 O LYS A 419 -1.209 -0.065 -0.912 1.00 0.00 O ATOM 214 CB LYS A 419 -1.825 -0.104 2.050 1.00 0.00 C ATOM 215 CG LYS A 419 -2.338 0.243 3.437 1.00 0.00 C ATOM 216 CD LYS A 419 -2.410 -0.986 4.328 1.00 0.00 C ATOM 217 CE LYS A 419 -3.004 -0.655 5.688 1.00 0.00 C ATOM 218 NZ LYS A 419 -2.136 0.275 6.461 1.00 0.00 N ATOM 0 H LYS A 419 -3.322 1.175 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 419 -1.206 1.921 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.501 -0.826 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -0.854 -0.591 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -1.684 0.986 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -3.327 0.695 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -3.014 -1.753 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -1.411 -1.402 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -3.989 -0.207 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -3.147 -1.575 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -2.504 0.369 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.167 -0.101 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -2.130 1.207 6.001 1.00 0.00 H new ATOM 232 N ALA A 420 0.354 1.365 -0.156 1.00 0.00 N ATOM 233 CA ALA A 420 1.277 1.108 -1.254 1.00 0.00 C ATOM 234 C ALA A 420 2.191 -0.071 -0.939 1.00 0.00 C ATOM 235 O ALA A 420 2.631 -0.242 0.199 1.00 0.00 O ATOM 236 CB ALA A 420 2.101 2.352 -1.553 1.00 0.00 C ATOM 0 H ALA A 420 0.690 2.044 0.527 1.00 0.00 H new ATOM 0 HA ALA A 420 0.690 0.853 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 420 2.786 2.146 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 420 1.437 3.170 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 420 2.671 2.632 -0.667 1.00 0.00 H new ATOM 242 N PHE A 421 2.474 -0.883 -1.952 1.00 0.00 N ATOM 243 CA PHE A 421 3.334 -2.047 -1.782 1.00 0.00 C ATOM 244 C PHE A 421 4.353 -2.141 -2.914 1.00 0.00 C ATOM 245 O PHE A 421 4.023 -2.545 -4.029 1.00 0.00 O ATOM 246 CB PHE A 421 2.495 -3.325 -1.730 1.00 0.00 C ATOM 247 CG PHE A 421 1.517 -3.354 -0.590 1.00 0.00 C ATOM 248 CD1 PHE A 421 0.238 -2.844 -0.744 1.00 0.00 C ATOM 249 CD2 PHE A 421 1.877 -3.892 0.635 1.00 0.00 C ATOM 250 CE1 PHE A 421 -0.663 -2.868 0.304 1.00 0.00 C ATOM 251 CE2 PHE A 421 0.980 -3.920 1.686 1.00 0.00 C ATOM 252 CZ PHE A 421 -0.292 -3.408 1.520 1.00 0.00 C ATOM 0 H PHE A 421 2.120 -0.756 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 421 3.872 -1.935 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.950 -3.431 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 421 3.161 -4.184 -1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.058 -2.423 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 421 2.870 -4.294 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -1.656 -2.465 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.273 -4.342 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 421 -0.995 -3.430 2.339 1.00 0.00 H new ATOM 262 N ILE A 422 5.593 -1.763 -2.619 1.00 0.00 N ATOM 263 CA ILE A 422 6.660 -1.805 -3.611 1.00 0.00 C ATOM 264 C ILE A 422 6.817 -3.206 -4.191 1.00 0.00 C ATOM 265 O ILE A 422 7.087 -3.369 -5.381 1.00 0.00 O ATOM 266 CB ILE A 422 8.005 -1.357 -3.009 1.00 0.00 C ATOM 267 CG1 ILE A 422 7.886 0.055 -2.431 1.00 0.00 C ATOM 268 CG2 ILE A 422 9.101 -1.413 -4.063 1.00 0.00 C ATOM 269 CD1 ILE A 422 9.016 0.422 -1.496 1.00 0.00 C ATOM 0 H ILE A 422 5.883 -1.425 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 422 6.379 -1.115 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 422 8.269 -2.039 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 422 7.856 0.773 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 422 6.940 0.141 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 422 10.046 -1.094 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 422 9.199 -2.434 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 422 8.844 -0.752 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 422 8.866 1.436 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 422 9.034 -0.273 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 422 9.964 0.368 -2.032 1.00 0.00 H new ATOM 281 N ARG A 423 6.644 -4.215 -3.344 1.00 0.00 N ATOM 282 CA ARG A 423 6.765 -5.603 -3.772 1.00 0.00 C ATOM 283 C ARG A 423 5.508 -6.057 -4.509 1.00 0.00 C ATOM 284 O ARG A 423 4.457 -5.423 -4.414 1.00 0.00 O ATOM 285 CB ARG A 423 7.020 -6.511 -2.568 1.00 0.00 C ATOM 286 CG ARG A 423 8.464 -6.506 -2.095 1.00 0.00 C ATOM 287 CD ARG A 423 8.721 -7.604 -1.076 1.00 0.00 C ATOM 288 NE ARG A 423 8.499 -8.934 -1.637 1.00 0.00 N ATOM 289 CZ ARG A 423 8.644 -10.058 -0.943 1.00 0.00 C ATOM 290 NH1 ARG A 423 9.008 -10.012 0.331 1.00 0.00 N ATOM 291 NH2 ARG A 423 8.424 -11.230 -1.524 1.00 0.00 N ATOM 0 H ARG A 423 6.419 -4.097 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 423 7.611 -5.673 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 423 6.376 -6.199 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 423 6.735 -7.531 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 423 9.128 -6.638 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 423 8.700 -5.537 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 423 9.746 -7.530 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 423 8.068 -7.460 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 423 8.217 -9.004 -2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 423 9.177 -9.112 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 423 9.119 -10.876 0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 423 8.143 -11.269 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 423 8.535 -12.092 -0.991 1.00 0.00 H new ATOM 305 N LYS A 424 5.624 -7.158 -5.243 1.00 0.00 N ATOM 306 CA LYS A 424 4.498 -7.698 -5.995 1.00 0.00 C ATOM 307 C LYS A 424 4.012 -9.007 -5.382 1.00 0.00 C ATOM 308 O LYS A 424 3.526 -9.891 -6.087 1.00 0.00 O ATOM 309 CB LYS A 424 4.895 -7.923 -7.456 1.00 0.00 C ATOM 310 CG LYS A 424 3.709 -8.027 -8.400 1.00 0.00 C ATOM 311 CD LYS A 424 4.157 -8.246 -9.835 1.00 0.00 C ATOM 312 CE LYS A 424 2.988 -8.150 -10.804 1.00 0.00 C ATOM 313 NZ LYS A 424 2.266 -9.446 -10.931 1.00 0.00 N ATOM 0 H LYS A 424 6.487 -7.694 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 424 3.685 -6.974 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 424 5.536 -7.103 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 424 5.486 -8.836 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 424 3.066 -8.850 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 424 3.113 -7.116 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 424 4.912 -7.505 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 424 4.627 -9.225 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 424 2.296 -7.380 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 424 3.352 -7.840 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.477 -9.340 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 2.920 -10.175 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.896 -9.730 -10.001 1.00 0.00 H new ATOM 327 N SER A 425 4.144 -9.124 -4.065 1.00 0.00 N ATOM 328 CA SER A 425 3.721 -10.326 -3.357 1.00 0.00 C ATOM 329 C SER A 425 2.771 -9.978 -2.215 1.00 0.00 C ATOM 330 O SER A 425 1.697 -10.565 -2.084 1.00 0.00 O ATOM 331 CB SER A 425 4.937 -11.079 -2.813 1.00 0.00 C ATOM 332 OG SER A 425 5.733 -10.238 -1.996 1.00 0.00 O ATOM 0 H SER A 425 4.541 -8.400 -3.466 1.00 0.00 H new ATOM 0 HA SER A 425 3.193 -10.966 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 425 4.606 -11.943 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 425 5.535 -11.458 -3.642 1.00 0.00 H new ATOM 0 HG SER A 425 5.917 -10.688 -1.145 1.00 0.00 H new ATOM 338 N HIS A 426 3.176 -9.018 -1.389 1.00 0.00 N ATOM 339 CA HIS A 426 2.362 -8.590 -0.257 1.00 0.00 C ATOM 340 C HIS A 426 1.030 -8.017 -0.732 1.00 0.00 C ATOM 341 O HIS A 426 0.030 -8.066 -0.014 1.00 0.00 O ATOM 342 CB HIS A 426 3.112 -7.547 0.573 1.00 0.00 C ATOM 343 CG HIS A 426 2.564 -7.375 1.956 1.00 0.00 C ATOM 344 ND1 HIS A 426 3.123 -6.525 2.886 1.00 0.00 N ATOM 345 CD2 HIS A 426 1.499 -7.949 2.564 1.00 0.00 C ATOM 346 CE1 HIS A 426 2.427 -6.584 4.008 1.00 0.00 C ATOM 347 NE2 HIS A 426 1.436 -7.441 3.838 1.00 0.00 N ATOM 0 H HIS A 426 4.062 -8.522 -1.483 1.00 0.00 H new ATOM 0 HA HIS A 426 2.162 -9.462 0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 426 4.161 -7.834 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 426 3.076 -6.589 0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 426 0.825 -8.672 2.128 1.00 0.00 H new ATOM 0 HE1 HIS A 426 2.633 -6.027 4.910 1.00 0.00 H new ATOM 0 HE2 HIS A 426 0.737 -7.686 4.540 1.00 0.00 H new ATOM 355 N PHE A 427 1.023 -7.473 -1.944 1.00 0.00 N ATOM 356 CA PHE A 427 -0.185 -6.889 -2.514 1.00 0.00 C ATOM 357 C PHE A 427 -1.201 -7.973 -2.863 1.00 0.00 C ATOM 358 O PHE A 427 -2.349 -7.929 -2.419 1.00 0.00 O ATOM 359 CB PHE A 427 0.156 -6.073 -3.762 1.00 0.00 C ATOM 360 CG PHE A 427 -1.052 -5.567 -4.497 1.00 0.00 C ATOM 361 CD1 PHE A 427 -1.732 -4.446 -4.049 1.00 0.00 C ATOM 362 CD2 PHE A 427 -1.508 -6.213 -5.635 1.00 0.00 C ATOM 363 CE1 PHE A 427 -2.844 -3.977 -4.723 1.00 0.00 C ATOM 364 CE2 PHE A 427 -2.619 -5.748 -6.313 1.00 0.00 C ATOM 365 CZ PHE A 427 -3.289 -4.630 -5.856 1.00 0.00 C ATOM 0 H PHE A 427 1.841 -7.424 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 427 -0.626 -6.229 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 427 0.777 -5.225 -3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 427 0.751 -6.688 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 427 -1.389 -3.933 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 427 -0.990 -7.089 -5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 427 -3.364 -3.101 -4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 427 -2.963 -6.259 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 427 -4.159 -4.267 -6.383 1.00 0.00 H new ATOM 375 N ILE A 428 -0.770 -8.944 -3.660 1.00 0.00 N ATOM 376 CA ILE A 428 -1.640 -10.040 -4.068 1.00 0.00 C ATOM 377 C ILE A 428 -2.266 -10.725 -2.858 1.00 0.00 C ATOM 378 O ILE A 428 -3.400 -11.200 -2.916 1.00 0.00 O ATOM 379 CB ILE A 428 -0.875 -11.087 -4.899 1.00 0.00 C ATOM 380 CG1 ILE A 428 -0.257 -10.435 -6.137 1.00 0.00 C ATOM 381 CG2 ILE A 428 -1.802 -12.225 -5.299 1.00 0.00 C ATOM 382 CD1 ILE A 428 0.596 -11.380 -6.955 1.00 0.00 C ATOM 0 H ILE A 428 0.177 -8.994 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 428 -2.428 -9.605 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 428 -0.071 -11.497 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 428 -1.055 -10.041 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 428 0.352 -9.586 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 428 -1.247 -12.957 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -2.199 -12.703 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 428 -2.625 -11.831 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 428 1.002 -10.850 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.415 -11.755 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -0.013 -12.216 -7.297 1.00 0.00 H new ATOM 394 N THR A 429 -1.518 -10.772 -1.759 1.00 0.00 N ATOM 395 CA THR A 429 -1.999 -11.398 -0.534 1.00 0.00 C ATOM 396 C THR A 429 -2.793 -10.410 0.313 1.00 0.00 C ATOM 397 O THR A 429 -3.646 -10.805 1.110 1.00 0.00 O ATOM 398 CB THR A 429 -0.835 -11.957 0.306 1.00 0.00 C ATOM 399 OG1 THR A 429 -0.107 -12.929 -0.452 1.00 0.00 O ATOM 400 CG2 THR A 429 -1.349 -12.588 1.591 1.00 0.00 C ATOM 0 H THR A 429 -0.577 -10.384 -1.693 1.00 0.00 H new ATOM 0 HA THR A 429 -2.649 -12.220 -0.833 1.00 0.00 H new ATOM 0 HB THR A 429 -0.174 -11.131 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 429 0.632 -13.278 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 429 -0.509 -12.976 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 429 -1.877 -11.837 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 429 -2.030 -13.404 1.349 1.00 0.00 H new ATOM 408 N HIS A 430 -2.510 -9.124 0.136 1.00 0.00 N ATOM 409 CA HIS A 430 -3.199 -8.079 0.884 1.00 0.00 C ATOM 410 C HIS A 430 -4.638 -7.923 0.400 1.00 0.00 C ATOM 411 O HIS A 430 -5.473 -7.336 1.086 1.00 0.00 O ATOM 412 CB HIS A 430 -2.456 -6.749 0.747 1.00 0.00 C ATOM 413 CG HIS A 430 -3.166 -5.598 1.390 1.00 0.00 C ATOM 414 ND1 HIS A 430 -3.182 -5.389 2.753 1.00 0.00 N ATOM 415 CD2 HIS A 430 -3.886 -4.588 0.848 1.00 0.00 C ATOM 416 CE1 HIS A 430 -3.883 -4.302 3.022 1.00 0.00 C ATOM 417 NE2 HIS A 430 -4.321 -3.797 1.883 1.00 0.00 N ATOM 0 H HIS A 430 -1.808 -8.780 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 430 -3.217 -8.370 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 430 -1.465 -6.848 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 430 -2.311 -6.531 -0.311 1.00 0.00 H new ATOM 0 HD1 HIS A 430 -2.724 -5.981 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 430 -4.082 -4.433 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 430 -4.067 -3.896 4.006 1.00 0.00 H new ATOM 425 N GLU A 431 -4.918 -8.453 -0.786 1.00 0.00 N ATOM 426 CA GLU A 431 -6.256 -8.371 -1.362 1.00 0.00 C ATOM 427 C GLU A 431 -7.174 -9.431 -0.759 1.00 0.00 C ATOM 428 O GLU A 431 -8.397 -9.292 -0.779 1.00 0.00 O ATOM 429 CB GLU A 431 -6.192 -8.541 -2.881 1.00 0.00 C ATOM 430 CG GLU A 431 -6.054 -7.229 -3.635 1.00 0.00 C ATOM 431 CD GLU A 431 -7.315 -6.389 -3.579 1.00 0.00 C ATOM 432 OE1 GLU A 431 -8.382 -6.891 -3.988 1.00 0.00 O ATOM 433 OE2 GLU A 431 -7.233 -5.228 -3.126 1.00 0.00 O ATOM 0 H GLU A 431 -4.238 -8.943 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 431 -6.664 -7.387 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 431 -5.348 -9.184 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 431 -7.094 -9.052 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 431 -5.224 -6.660 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 431 -5.806 -7.437 -4.676 1.00 0.00 H new ATOM 440 N ARG A 432 -6.574 -10.489 -0.222 1.00 0.00 N ATOM 441 CA ARG A 432 -7.337 -11.572 0.385 1.00 0.00 C ATOM 442 C ARG A 432 -8.123 -11.073 1.594 1.00 0.00 C ATOM 443 O ARG A 432 -9.299 -11.398 1.759 1.00 0.00 O ATOM 444 CB ARG A 432 -6.403 -12.709 0.805 1.00 0.00 C ATOM 445 CG ARG A 432 -5.467 -13.168 -0.301 1.00 0.00 C ATOM 446 CD ARG A 432 -5.066 -14.624 -0.123 1.00 0.00 C ATOM 447 NE ARG A 432 -6.202 -15.527 -0.283 1.00 0.00 N ATOM 448 CZ ARG A 432 -6.079 -16.825 -0.541 1.00 0.00 C ATOM 449 NH1 ARG A 432 -4.876 -17.368 -0.666 1.00 0.00 N ATOM 450 NH2 ARG A 432 -7.160 -17.582 -0.672 1.00 0.00 N ATOM 0 H ARG A 432 -5.563 -10.619 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 432 -8.043 -11.945 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -5.810 -12.384 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.003 -13.557 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -5.954 -13.039 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -4.575 -12.542 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.295 -14.879 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -4.630 -14.762 0.866 1.00 0.00 H new ATOM 0 HE ARG A 432 -7.142 -15.141 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -4.042 -16.789 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -4.784 -18.364 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -8.087 -17.168 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -7.064 -18.578 -0.870 1.00 0.00 H new ATOM 464 N ILE A 433 -7.466 -10.282 2.435 1.00 0.00 N ATOM 465 CA ILE A 433 -8.103 -9.737 3.627 1.00 0.00 C ATOM 466 C ILE A 433 -9.337 -8.917 3.265 1.00 0.00 C ATOM 467 O ILE A 433 -10.228 -8.718 4.092 1.00 0.00 O ATOM 468 CB ILE A 433 -7.131 -8.854 4.432 1.00 0.00 C ATOM 469 CG1 ILE A 433 -7.738 -8.498 5.791 1.00 0.00 C ATOM 470 CG2 ILE A 433 -6.791 -7.593 3.651 1.00 0.00 C ATOM 471 CD1 ILE A 433 -6.836 -7.638 6.648 1.00 0.00 C ATOM 0 H ILE A 433 -6.492 -10.004 2.313 1.00 0.00 H new ATOM 0 HA ILE A 433 -8.402 -10.587 4.241 1.00 0.00 H new ATOM 0 HB ILE A 433 -6.210 -9.413 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 433 -8.682 -7.976 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 433 -7.969 -9.417 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 433 -6.103 -6.979 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 433 -6.323 -7.866 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 433 -7.703 -7.029 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 433 -7.330 -7.425 7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 433 -5.901 -8.166 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 433 -6.626 -6.702 6.130 1.00 0.00 H new ATOM 483 N HIS A 434 -9.383 -8.445 2.024 1.00 0.00 N ATOM 484 CA HIS A 434 -10.510 -7.648 1.550 1.00 0.00 C ATOM 485 C HIS A 434 -11.528 -8.523 0.826 1.00 0.00 C ATOM 486 O HIS A 434 -12.677 -8.642 1.253 1.00 0.00 O ATOM 487 CB HIS A 434 -10.021 -6.537 0.620 1.00 0.00 C ATOM 488 CG HIS A 434 -9.218 -5.483 1.317 1.00 0.00 C ATOM 489 ND1 HIS A 434 -9.351 -5.200 2.660 1.00 0.00 N ATOM 490 CD2 HIS A 434 -8.266 -4.641 0.850 1.00 0.00 C ATOM 491 CE1 HIS A 434 -8.518 -4.229 2.988 1.00 0.00 C ATOM 492 NE2 HIS A 434 -7.847 -3.873 1.908 1.00 0.00 N ATOM 0 H HIS A 434 -8.654 -8.600 1.328 1.00 0.00 H new ATOM 0 HA HIS A 434 -10.995 -7.199 2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -9.416 -6.978 -0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -10.882 -6.070 0.142 1.00 0.00 H new ATOM 0 HD1 HIS A 434 -9.993 -5.668 3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -7.904 -4.584 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -8.405 -3.799 3.972 1.00 0.00 H new ATOM 500 N THR A 435 -11.100 -9.135 -0.274 1.00 0.00 N ATOM 501 CA THR A 435 -11.974 -9.997 -1.059 1.00 0.00 C ATOM 502 C THR A 435 -12.627 -11.060 -0.184 1.00 0.00 C ATOM 503 O THR A 435 -13.825 -11.319 -0.294 1.00 0.00 O ATOM 504 CB THR A 435 -11.204 -10.689 -2.199 1.00 0.00 C ATOM 505 OG1 THR A 435 -10.192 -11.546 -1.658 1.00 0.00 O ATOM 506 CG2 THR A 435 -10.565 -9.662 -3.122 1.00 0.00 C ATOM 0 H THR A 435 -10.152 -9.049 -0.641 1.00 0.00 H new ATOM 0 HA THR A 435 -12.746 -9.358 -1.488 1.00 0.00 H new ATOM 0 HB THR A 435 -11.912 -11.283 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 435 -9.708 -11.983 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.027 -10.174 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 435 -11.340 -9.030 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 435 -9.870 -9.045 -2.553 1.00 0.00 H new ATOM 514 N GLY A 436 -11.832 -11.674 0.687 1.00 0.00 N ATOM 515 CA GLY A 436 -12.352 -12.702 1.569 1.00 0.00 C ATOM 516 C GLY A 436 -13.399 -12.169 2.528 1.00 0.00 C ATOM 517 O GLY A 436 -14.597 -12.267 2.265 1.00 0.00 O ATOM 0 H GLY A 436 -10.837 -11.478 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 436 -12.786 -13.504 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 436 -11.531 -13.137 2.138 1.00 0.00 H new ATOM 521 N GLU A 437 -12.945 -11.606 3.643 1.00 0.00 N ATOM 522 CA GLU A 437 -13.852 -11.058 4.645 1.00 0.00 C ATOM 523 C GLU A 437 -14.402 -9.706 4.199 1.00 0.00 C ATOM 524 O GLU A 437 -13.652 -8.832 3.763 1.00 0.00 O ATOM 525 CB GLU A 437 -13.135 -10.912 5.989 1.00 0.00 C ATOM 526 CG GLU A 437 -12.885 -12.235 6.692 1.00 0.00 C ATOM 527 CD GLU A 437 -12.077 -12.075 7.965 1.00 0.00 C ATOM 528 OE1 GLU A 437 -12.679 -11.770 9.016 1.00 0.00 O ATOM 529 OE2 GLU A 437 -10.842 -12.256 7.910 1.00 0.00 O ATOM 0 H GLU A 437 -11.956 -11.517 3.875 1.00 0.00 H new ATOM 0 HA GLU A 437 -14.686 -11.750 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -12.181 -10.409 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 437 -13.729 -10.271 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 437 -13.841 -12.703 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -12.360 -12.909 6.015 1.00 0.00 H new ATOM 536 N SER A 438 -15.716 -9.542 4.312 1.00 0.00 N ATOM 537 CA SER A 438 -16.368 -8.299 3.917 1.00 0.00 C ATOM 538 C SER A 438 -16.022 -7.938 2.476 1.00 0.00 C ATOM 539 O SER A 438 -15.669 -6.798 2.177 1.00 0.00 O ATOM 540 CB SER A 438 -15.954 -7.161 4.853 1.00 0.00 C ATOM 541 OG SER A 438 -15.815 -7.622 6.186 1.00 0.00 O ATOM 0 H SER A 438 -16.350 -10.254 4.674 1.00 0.00 H new ATOM 0 HA SER A 438 -17.446 -8.445 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 438 -15.012 -6.731 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 438 -16.699 -6.366 4.816 1.00 0.00 H new ATOM 0 HG SER A 438 -15.548 -6.877 6.764 1.00 0.00 H new ATOM 547 N GLY A 439 -16.126 -8.920 1.585 1.00 0.00 N ATOM 548 CA GLY A 439 -15.821 -8.688 0.186 1.00 0.00 C ATOM 549 C GLY A 439 -16.532 -9.662 -0.732 1.00 0.00 C ATOM 550 O GLY A 439 -17.114 -10.653 -0.290 1.00 0.00 O ATOM 0 H GLY A 439 -16.416 -9.872 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 439 -16.104 -7.670 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 439 -14.745 -8.770 0.034 1.00 0.00 H new ATOM 554 N PRO A 440 -16.491 -9.383 -2.044 1.00 0.00 N ATOM 555 CA PRO A 440 -17.132 -10.231 -3.054 1.00 0.00 C ATOM 556 C PRO A 440 -16.427 -11.573 -3.217 1.00 0.00 C ATOM 557 O PRO A 440 -15.263 -11.629 -3.616 1.00 0.00 O ATOM 558 CB PRO A 440 -17.013 -9.405 -4.337 1.00 0.00 C ATOM 559 CG PRO A 440 -15.831 -8.526 -4.114 1.00 0.00 C ATOM 560 CD PRO A 440 -15.814 -8.220 -2.642 1.00 0.00 C ATOM 0 HA PRO A 440 -18.158 -10.481 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -16.872 -10.045 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -17.914 -8.819 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -14.911 -9.024 -4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 440 -15.908 -7.611 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 440 -14.797 -8.110 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 440 -16.338 -7.291 -2.419 1.00 0.00 H new ATOM 568 N SER A 441 -17.138 -12.652 -2.907 1.00 0.00 N ATOM 569 CA SER A 441 -16.579 -13.994 -3.016 1.00 0.00 C ATOM 570 C SER A 441 -16.438 -14.406 -4.478 1.00 0.00 C ATOM 571 O SER A 441 -17.410 -14.398 -5.233 1.00 0.00 O ATOM 572 CB SER A 441 -17.461 -14.999 -2.274 1.00 0.00 C ATOM 573 OG SER A 441 -18.806 -14.920 -2.714 1.00 0.00 O ATOM 0 H SER A 441 -18.103 -12.623 -2.578 1.00 0.00 H new ATOM 0 HA SER A 441 -15.588 -13.986 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 441 -17.081 -16.008 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 441 -17.414 -14.807 -1.202 1.00 0.00 H new ATOM 0 HG SER A 441 -18.829 -14.599 -3.640 1.00 0.00 H new ATOM 579 N SER A 442 -15.220 -14.766 -4.870 1.00 0.00 N ATOM 580 CA SER A 442 -14.949 -15.178 -6.243 1.00 0.00 C ATOM 581 C SER A 442 -14.549 -16.649 -6.299 1.00 0.00 C ATOM 582 O SER A 442 -13.487 -16.996 -6.814 1.00 0.00 O ATOM 583 CB SER A 442 -13.842 -14.313 -6.848 1.00 0.00 C ATOM 584 OG SER A 442 -12.725 -14.233 -5.980 1.00 0.00 O ATOM 0 H SER A 442 -14.405 -14.781 -4.257 1.00 0.00 H new ATOM 0 HA SER A 442 -15.862 -15.045 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 442 -13.533 -14.731 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 442 -14.225 -13.312 -7.045 1.00 0.00 H new ATOM 0 HG SER A 442 -12.031 -13.676 -6.391 1.00 0.00 H new ATOM 590 N GLY A 443 -15.408 -17.511 -5.764 1.00 0.00 N ATOM 591 CA GLY A 443 -15.127 -18.935 -5.763 1.00 0.00 C ATOM 592 C GLY A 443 -15.218 -19.545 -7.148 1.00 0.00 C ATOM 593 O GLY A 443 -14.185 -19.886 -7.721 1.00 0.00 O ATOM 0 H GLY A 443 -16.294 -17.249 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -14.129 -19.105 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -15.829 -19.440 -5.100 1.00 0.00 H new TER 597 GLY A 443 HETATM 598 ZN ZN A 201 -6.073 -2.771 1.686 1.00 0.00 ZN