USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 349 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 373 HIS HE2 : A 373 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 377 HIS HE2 : A 377 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 371 ASN : amide:sc= -0.294 K(o=-0.31,f=-2.9!) USER MOD Set 1.2: A 374 LYS NZ :NH3+ -126:sc= -0.0123 (180deg=-1.73!) USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 347 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 351 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 GLN : amide:sc= -0.924 X(o=-0.92,f=-1.2) USER MOD Single : A 362 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 TYR OH : rot 180:sc= 0 USER MOD Single : A 369 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 169:sc= -0.0247 (180deg=-0.203) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= 0 USER MOD Single : A 388 SER OG : rot 180:sc= 0 USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 343 22.422 -17.525 -6.270 1.00 0.00 N ATOM 2 CA GLY A 343 21.291 -18.434 -6.245 1.00 0.00 C ATOM 3 C GLY A 343 20.983 -19.012 -7.612 1.00 0.00 C ATOM 4 O GLY A 343 21.528 -18.564 -8.621 1.00 0.00 O ATOM 0 HA2 GLY A 343 21.497 -19.246 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 343 20.413 -17.907 -5.870 1.00 0.00 H new ATOM 8 N SER A 344 20.107 -20.012 -7.646 1.00 0.00 N ATOM 9 CA SER A 344 19.731 -20.656 -8.899 1.00 0.00 C ATOM 10 C SER A 344 18.366 -20.166 -9.374 1.00 0.00 C ATOM 11 O SER A 344 17.619 -19.547 -8.617 1.00 0.00 O ATOM 12 CB SER A 344 19.709 -22.176 -8.729 1.00 0.00 C ATOM 13 OG SER A 344 20.754 -22.609 -7.875 1.00 0.00 O ATOM 0 H SER A 344 19.645 -20.393 -6.820 1.00 0.00 H new ATOM 0 HA SER A 344 20.474 -20.392 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 344 18.748 -22.485 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 344 19.809 -22.655 -9.703 1.00 0.00 H new ATOM 0 HG SER A 344 20.717 -23.584 -7.781 1.00 0.00 H new ATOM 19 N SER A 345 18.048 -20.450 -10.633 1.00 0.00 N ATOM 20 CA SER A 345 16.775 -20.035 -11.211 1.00 0.00 C ATOM 21 C SER A 345 15.908 -21.246 -11.542 1.00 0.00 C ATOM 22 O SER A 345 16.418 -22.327 -11.836 1.00 0.00 O ATOM 23 CB SER A 345 17.010 -19.202 -12.473 1.00 0.00 C ATOM 24 OG SER A 345 17.901 -18.130 -12.217 1.00 0.00 O ATOM 0 H SER A 345 18.654 -20.965 -11.272 1.00 0.00 H new ATOM 0 HA SER A 345 16.252 -19.425 -10.474 1.00 0.00 H new ATOM 0 HB2 SER A 345 17.416 -19.836 -13.261 1.00 0.00 H new ATOM 0 HB3 SER A 345 16.060 -18.811 -12.837 1.00 0.00 H new ATOM 0 HG SER A 345 18.036 -17.614 -13.039 1.00 0.00 H new ATOM 30 N GLY A 346 14.593 -21.057 -11.491 1.00 0.00 N ATOM 31 CA GLY A 346 13.676 -22.142 -11.787 1.00 0.00 C ATOM 32 C GLY A 346 12.501 -22.186 -10.830 1.00 0.00 C ATOM 33 O GLY A 346 12.683 -22.293 -9.617 1.00 0.00 O ATOM 0 H GLY A 346 14.147 -20.172 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 346 13.306 -22.033 -12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 346 14.213 -23.090 -11.742 1.00 0.00 H new ATOM 37 N SER A 347 11.292 -22.100 -11.375 1.00 0.00 N ATOM 38 CA SER A 347 10.082 -22.125 -10.561 1.00 0.00 C ATOM 39 C SER A 347 8.873 -22.532 -11.396 1.00 0.00 C ATOM 40 O SER A 347 8.773 -22.185 -12.573 1.00 0.00 O ATOM 41 CB SER A 347 9.841 -20.753 -9.927 1.00 0.00 C ATOM 42 OG SER A 347 8.817 -20.817 -8.949 1.00 0.00 O ATOM 0 H SER A 347 11.124 -22.012 -12.377 1.00 0.00 H new ATOM 0 HA SER A 347 10.220 -22.863 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 347 10.763 -20.393 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 347 9.566 -20.035 -10.700 1.00 0.00 H new ATOM 0 HG SER A 347 8.683 -19.929 -8.557 1.00 0.00 H new ATOM 48 N SER A 348 7.956 -23.270 -10.779 1.00 0.00 N ATOM 49 CA SER A 348 6.754 -23.728 -11.466 1.00 0.00 C ATOM 50 C SER A 348 5.667 -22.658 -11.431 1.00 0.00 C ATOM 51 O SER A 348 5.249 -22.147 -12.469 1.00 0.00 O ATOM 52 CB SER A 348 6.236 -25.018 -10.826 1.00 0.00 C ATOM 53 OG SER A 348 7.307 -25.839 -10.395 1.00 0.00 O ATOM 0 H SER A 348 8.022 -23.564 -9.804 1.00 0.00 H new ATOM 0 HA SER A 348 7.013 -23.925 -12.506 1.00 0.00 H new ATOM 0 HB2 SER A 348 5.596 -24.775 -9.978 1.00 0.00 H new ATOM 0 HB3 SER A 348 5.622 -25.563 -11.543 1.00 0.00 H new ATOM 0 HG SER A 348 6.950 -26.656 -9.988 1.00 0.00 H new ATOM 59 N GLY A 349 5.213 -22.323 -10.226 1.00 0.00 N ATOM 60 CA GLY A 349 4.178 -21.316 -10.077 1.00 0.00 C ATOM 61 C GLY A 349 4.718 -19.906 -10.211 1.00 0.00 C ATOM 62 O GLY A 349 4.779 -19.162 -9.232 1.00 0.00 O ATOM 0 H GLY A 349 5.543 -22.731 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 349 3.406 -21.479 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 349 3.703 -21.429 -9.102 1.00 0.00 H new ATOM 66 N ARG A 350 5.113 -19.538 -11.425 1.00 0.00 N ATOM 67 CA ARG A 350 5.653 -18.209 -11.683 1.00 0.00 C ATOM 68 C ARG A 350 4.582 -17.140 -11.492 1.00 0.00 C ATOM 69 O ARG A 350 4.886 -15.989 -11.176 1.00 0.00 O ATOM 70 CB ARG A 350 6.219 -18.131 -13.103 1.00 0.00 C ATOM 71 CG ARG A 350 5.175 -18.346 -14.186 1.00 0.00 C ATOM 72 CD ARG A 350 5.744 -18.074 -15.570 1.00 0.00 C ATOM 73 NE ARG A 350 4.701 -18.020 -16.590 1.00 0.00 N ATOM 74 CZ ARG A 350 4.905 -17.582 -17.828 1.00 0.00 C ATOM 75 NH1 ARG A 350 6.108 -17.163 -18.196 1.00 0.00 N ATOM 76 NH2 ARG A 350 3.905 -17.564 -18.700 1.00 0.00 N ATOM 0 H ARG A 350 5.069 -20.142 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 350 6.456 -18.026 -10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 350 6.684 -17.156 -13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 350 7.005 -18.878 -13.214 1.00 0.00 H new ATOM 0 HG2 ARG A 350 4.805 -19.370 -14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 350 4.323 -17.691 -14.007 1.00 0.00 H new ATOM 0 HD2 ARG A 350 6.289 -17.130 -15.559 1.00 0.00 H new ATOM 0 HD3 ARG A 350 6.462 -18.853 -15.826 1.00 0.00 H new ATOM 0 HE ARG A 350 3.764 -18.336 -16.339 1.00 0.00 H new ATOM 0 HH11 ARG A 350 6.879 -17.176 -17.528 1.00 0.00 H new ATOM 0 HH12 ARG A 350 6.262 -16.827 -19.147 1.00 0.00 H new ATOM 0 HH21 ARG A 350 2.979 -17.887 -18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 350 4.063 -17.228 -19.650 1.00 0.00 H new ATOM 90 N THR A 351 3.325 -17.528 -11.686 1.00 0.00 N ATOM 91 CA THR A 351 2.208 -16.603 -11.537 1.00 0.00 C ATOM 92 C THR A 351 2.078 -16.126 -10.095 1.00 0.00 C ATOM 93 O THR A 351 2.465 -16.829 -9.161 1.00 0.00 O ATOM 94 CB THR A 351 0.880 -17.251 -11.973 1.00 0.00 C ATOM 95 OG1 THR A 351 0.777 -18.571 -11.428 1.00 0.00 O ATOM 96 CG2 THR A 351 0.781 -17.314 -13.490 1.00 0.00 C ATOM 0 H THR A 351 3.055 -18.477 -11.947 1.00 0.00 H new ATOM 0 HA THR A 351 2.416 -15.749 -12.182 1.00 0.00 H new ATOM 0 HB THR A 351 0.061 -16.638 -11.596 1.00 0.00 H new ATOM 0 HG1 THR A 351 -0.071 -18.975 -11.708 1.00 0.00 H new ATOM 0 HG21 THR A 351 -0.165 -17.775 -13.774 1.00 0.00 H new ATOM 0 HG22 THR A 351 0.830 -16.305 -13.900 1.00 0.00 H new ATOM 0 HG23 THR A 351 1.607 -17.907 -13.884 1.00 0.00 H new ATOM 104 N ARG A 352 1.531 -14.928 -9.920 1.00 0.00 N ATOM 105 CA ARG A 352 1.350 -14.357 -8.591 1.00 0.00 C ATOM 106 C ARG A 352 0.089 -14.905 -7.931 1.00 0.00 C ATOM 107 O ARG A 352 -0.852 -15.318 -8.610 1.00 0.00 O ATOM 108 CB ARG A 352 1.274 -12.831 -8.674 1.00 0.00 C ATOM 109 CG ARG A 352 2.474 -12.198 -9.359 1.00 0.00 C ATOM 110 CD ARG A 352 2.289 -10.698 -9.534 1.00 0.00 C ATOM 111 NE ARG A 352 1.500 -10.379 -10.721 1.00 0.00 N ATOM 112 CZ ARG A 352 1.985 -10.413 -11.956 1.00 0.00 C ATOM 113 NH1 ARG A 352 3.250 -10.751 -12.166 1.00 0.00 N ATOM 114 NH2 ARG A 352 1.205 -10.109 -12.986 1.00 0.00 N ATOM 0 H ARG A 352 1.205 -14.334 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 352 2.209 -14.638 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 352 0.369 -12.549 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 352 1.185 -12.425 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 352 3.372 -12.389 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 352 2.625 -12.663 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 352 1.798 -10.288 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 352 3.265 -10.218 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 352 0.523 -10.116 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 352 3.853 -10.986 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 352 3.620 -10.776 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 352 0.231 -9.849 -12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 352 1.579 -10.136 -13.934 1.00 0.00 H new ATOM 128 N LYS A 353 0.075 -14.906 -6.602 1.00 0.00 N ATOM 129 CA LYS A 353 -1.070 -15.402 -5.848 1.00 0.00 C ATOM 130 C LYS A 353 -1.868 -14.248 -5.249 1.00 0.00 C ATOM 131 O LYS A 353 -3.058 -14.097 -5.525 1.00 0.00 O ATOM 132 CB LYS A 353 -0.605 -16.345 -4.736 1.00 0.00 C ATOM 133 CG LYS A 353 0.107 -17.585 -5.249 1.00 0.00 C ATOM 134 CD LYS A 353 -0.837 -18.490 -6.024 1.00 0.00 C ATOM 135 CE LYS A 353 -0.312 -19.916 -6.092 1.00 0.00 C ATOM 136 NZ LYS A 353 -0.770 -20.617 -7.323 1.00 0.00 N ATOM 0 H LYS A 353 0.845 -14.568 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 353 -1.716 -15.950 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 353 0.063 -15.803 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -1.469 -16.650 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 353 0.938 -17.290 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 353 0.532 -18.135 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -1.819 -18.485 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -0.968 -18.101 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 353 0.778 -19.904 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -0.646 -20.468 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -0.391 -21.586 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -1.809 -20.651 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -0.430 -20.104 -8.161 1.00 0.00 H new ATOM 150 N GLN A 354 -1.205 -13.437 -4.431 1.00 0.00 N ATOM 151 CA GLN A 354 -1.854 -12.297 -3.795 1.00 0.00 C ATOM 152 C GLN A 354 -0.937 -11.078 -3.797 1.00 0.00 C ATOM 153 O GLN A 354 0.171 -11.123 -4.331 1.00 0.00 O ATOM 154 CB GLN A 354 -2.255 -12.646 -2.361 1.00 0.00 C ATOM 155 CG GLN A 354 -1.083 -12.685 -1.394 1.00 0.00 C ATOM 156 CD GLN A 354 -0.080 -13.770 -1.734 1.00 0.00 C ATOM 157 OE1 GLN A 354 1.029 -13.487 -2.188 1.00 0.00 O ATOM 158 NE2 GLN A 354 -0.466 -15.022 -1.517 1.00 0.00 N ATOM 0 H GLN A 354 -0.219 -13.548 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 354 -2.750 -12.056 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -2.982 -11.915 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -2.751 -13.617 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -0.581 -11.717 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -1.457 -12.845 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -1.394 -15.211 -1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 354 0.166 -15.794 -1.728 1.00 0.00 H new ATOM 167 N VAL A 355 -1.407 -9.989 -3.196 1.00 0.00 N ATOM 168 CA VAL A 355 -0.629 -8.758 -3.128 1.00 0.00 C ATOM 169 C VAL A 355 0.313 -8.769 -1.929 1.00 0.00 C ATOM 170 O VAL A 355 -0.063 -9.190 -0.835 1.00 0.00 O ATOM 171 CB VAL A 355 -1.543 -7.521 -3.038 1.00 0.00 C ATOM 172 CG1 VAL A 355 -0.721 -6.244 -3.116 1.00 0.00 C ATOM 173 CG2 VAL A 355 -2.596 -7.557 -4.135 1.00 0.00 C ATOM 0 H VAL A 355 -2.322 -9.935 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 355 -0.044 -8.702 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 355 -2.054 -7.536 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 355 -1.383 -5.381 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 355 -0.009 -6.219 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 355 -0.181 -6.216 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 355 -3.233 -6.676 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 355 -2.107 -7.566 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 355 -3.204 -8.455 -4.026 1.00 0.00 H new ATOM 183 N ALA A 356 1.539 -8.303 -2.142 1.00 0.00 N ATOM 184 CA ALA A 356 2.534 -8.256 -1.079 1.00 0.00 C ATOM 185 C ALA A 356 3.271 -6.921 -1.074 1.00 0.00 C ATOM 186 O ALA A 356 4.161 -6.688 -1.893 1.00 0.00 O ATOM 187 CB ALA A 356 3.521 -9.405 -1.229 1.00 0.00 C ATOM 0 H ALA A 356 1.867 -7.952 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 356 2.015 -8.358 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 356 4.259 -9.358 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 356 2.986 -10.353 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 356 4.025 -9.328 -2.192 1.00 0.00 H new ATOM 193 N CYS A 357 2.895 -6.046 -0.148 1.00 0.00 N ATOM 194 CA CYS A 357 3.518 -4.733 -0.037 1.00 0.00 C ATOM 195 C CYS A 357 4.954 -4.854 0.466 1.00 0.00 C ATOM 196 O CYS A 357 5.190 -5.043 1.659 1.00 0.00 O ATOM 197 CB CYS A 357 2.710 -3.839 0.906 1.00 0.00 C ATOM 198 SG CYS A 357 3.180 -2.080 0.848 1.00 0.00 S ATOM 0 H CYS A 357 2.161 -6.223 0.537 1.00 0.00 H new ATOM 0 HA CYS A 357 3.535 -4.281 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 357 1.652 -3.930 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 357 2.831 -4.203 1.926 1.00 0.00 H new ATOM 203 N GLU A 358 5.908 -4.743 -0.453 1.00 0.00 N ATOM 204 CA GLU A 358 7.321 -4.840 -0.103 1.00 0.00 C ATOM 205 C GLU A 358 7.804 -3.558 0.569 1.00 0.00 C ATOM 206 O GLU A 358 8.804 -3.560 1.288 1.00 0.00 O ATOM 207 CB GLU A 358 8.160 -5.123 -1.350 1.00 0.00 C ATOM 208 CG GLU A 358 8.053 -4.042 -2.413 1.00 0.00 C ATOM 209 CD GLU A 358 8.979 -4.288 -3.589 1.00 0.00 C ATOM 210 OE1 GLU A 358 10.021 -4.949 -3.396 1.00 0.00 O ATOM 211 OE2 GLU A 358 8.662 -3.818 -4.702 1.00 0.00 O ATOM 0 H GLU A 358 5.729 -4.586 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 358 7.439 -5.665 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.205 -5.232 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 358 7.848 -6.075 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 358 7.024 -3.989 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.286 -3.075 -1.968 1.00 0.00 H new ATOM 218 N ILE A 359 7.087 -2.465 0.330 1.00 0.00 N ATOM 219 CA ILE A 359 7.442 -1.177 0.911 1.00 0.00 C ATOM 220 C ILE A 359 7.630 -1.288 2.421 1.00 0.00 C ATOM 221 O ILE A 359 8.695 -0.968 2.950 1.00 0.00 O ATOM 222 CB ILE A 359 6.370 -0.111 0.616 1.00 0.00 C ATOM 223 CG1 ILE A 359 6.184 0.052 -0.894 1.00 0.00 C ATOM 224 CG2 ILE A 359 6.752 1.216 1.255 1.00 0.00 C ATOM 225 CD1 ILE A 359 4.910 0.774 -1.271 1.00 0.00 C ATOM 0 H ILE A 359 6.257 -2.446 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 359 8.382 -0.872 0.451 1.00 0.00 H new ATOM 0 HB ILE A 359 5.424 -0.439 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 359 7.035 0.598 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 359 6.186 -0.933 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 359 5.985 1.959 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 359 6.838 1.089 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 359 7.707 1.552 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 359 4.844 0.853 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 359 4.051 0.217 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 359 4.915 1.772 -0.834 1.00 0.00 H new ATOM 237 N CYS A 360 6.589 -1.745 3.109 1.00 0.00 N ATOM 238 CA CYS A 360 6.639 -1.901 4.557 1.00 0.00 C ATOM 239 C CYS A 360 6.575 -3.375 4.948 1.00 0.00 C ATOM 240 O CYS A 360 7.200 -3.799 5.919 1.00 0.00 O ATOM 241 CB CYS A 360 5.487 -1.138 5.213 1.00 0.00 C ATOM 242 SG CYS A 360 3.838 -1.605 4.596 1.00 0.00 S ATOM 0 H CYS A 360 5.700 -2.014 2.686 1.00 0.00 H new ATOM 0 HA CYS A 360 7.585 -1.490 4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 360 5.521 -1.305 6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 360 5.634 -0.070 5.052 1.00 0.00 H new ATOM 247 N GLY A 361 5.813 -4.152 4.184 1.00 0.00 N ATOM 248 CA GLY A 361 5.680 -5.569 4.465 1.00 0.00 C ATOM 249 C GLY A 361 4.285 -5.941 4.928 1.00 0.00 C ATOM 250 O GLY A 361 4.082 -6.300 6.087 1.00 0.00 O ATOM 0 H GLY A 361 5.285 -3.825 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 361 5.926 -6.138 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 361 6.401 -5.853 5.231 1.00 0.00 H new ATOM 254 N LYS A 362 3.320 -5.853 4.019 1.00 0.00 N ATOM 255 CA LYS A 362 1.936 -6.182 4.338 1.00 0.00 C ATOM 256 C LYS A 362 1.302 -7.009 3.224 1.00 0.00 C ATOM 257 O LYS A 362 1.353 -6.633 2.053 1.00 0.00 O ATOM 258 CB LYS A 362 1.125 -4.903 4.562 1.00 0.00 C ATOM 259 CG LYS A 362 1.320 -4.292 5.939 1.00 0.00 C ATOM 260 CD LYS A 362 0.292 -4.810 6.930 1.00 0.00 C ATOM 261 CE LYS A 362 0.689 -6.169 7.487 1.00 0.00 C ATOM 262 NZ LYS A 362 0.177 -6.372 8.871 1.00 0.00 N ATOM 0 H LYS A 362 3.471 -5.556 3.055 1.00 0.00 H new ATOM 0 HA LYS A 362 1.932 -6.774 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 362 1.403 -4.169 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 362 0.067 -5.124 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 362 2.323 -4.521 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 362 1.246 -3.207 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 362 0.183 -4.098 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 362 -0.680 -4.886 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 362 0.302 -6.955 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 362 1.775 -6.259 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 362 0.468 -7.309 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 362 0.566 -5.637 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 362 -0.861 -6.311 8.869 1.00 0.00 H new ATOM 276 N ILE A 363 0.705 -8.136 3.597 1.00 0.00 N ATOM 277 CA ILE A 363 0.060 -9.015 2.630 1.00 0.00 C ATOM 278 C ILE A 363 -1.431 -8.713 2.522 1.00 0.00 C ATOM 279 O ILE A 363 -2.084 -8.396 3.516 1.00 0.00 O ATOM 280 CB ILE A 363 0.247 -10.497 3.003 1.00 0.00 C ATOM 281 CG1 ILE A 363 1.730 -10.808 3.218 1.00 0.00 C ATOM 282 CG2 ILE A 363 -0.336 -11.393 1.921 1.00 0.00 C ATOM 283 CD1 ILE A 363 2.593 -10.500 2.015 1.00 0.00 C ATOM 0 H ILE A 363 0.655 -8.462 4.562 1.00 0.00 H new ATOM 0 HA ILE A 363 0.537 -8.829 1.668 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.285 -10.692 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 363 2.093 -10.235 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.839 -11.862 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -0.196 -12.438 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.401 -11.186 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 363 0.170 -11.198 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 363 3.631 -10.745 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 363 2.256 -11.093 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 363 2.515 -9.440 1.773 1.00 0.00 H new ATOM 295 N PHE A 364 -1.964 -8.817 1.309 1.00 0.00 N ATOM 296 CA PHE A 364 -3.379 -8.556 1.071 1.00 0.00 C ATOM 297 C PHE A 364 -3.921 -9.461 -0.031 1.00 0.00 C ATOM 298 O PHE A 364 -3.178 -9.899 -0.910 1.00 0.00 O ATOM 299 CB PHE A 364 -3.592 -7.089 0.694 1.00 0.00 C ATOM 300 CG PHE A 364 -3.138 -6.125 1.752 1.00 0.00 C ATOM 301 CD1 PHE A 364 -3.829 -6.011 2.948 1.00 0.00 C ATOM 302 CD2 PHE A 364 -2.018 -5.333 1.553 1.00 0.00 C ATOM 303 CE1 PHE A 364 -3.413 -5.125 3.923 1.00 0.00 C ATOM 304 CE2 PHE A 364 -1.597 -4.445 2.525 1.00 0.00 C ATOM 305 CZ PHE A 364 -2.295 -4.342 3.712 1.00 0.00 C ATOM 0 H PHE A 364 -1.438 -9.080 0.476 1.00 0.00 H new ATOM 0 HA PHE A 364 -3.922 -8.770 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 364 -3.056 -6.879 -0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 364 -4.651 -6.924 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 364 -4.703 -6.622 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 364 -1.468 -5.411 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 364 -3.962 -5.045 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 364 -0.723 -3.833 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 364 -1.967 -3.650 4.474 1.00 0.00 H new ATOM 315 N ARG A 365 -5.220 -9.736 0.022 1.00 0.00 N ATOM 316 CA ARG A 365 -5.861 -10.589 -0.971 1.00 0.00 C ATOM 317 C ARG A 365 -5.684 -10.018 -2.375 1.00 0.00 C ATOM 318 O ARG A 365 -5.071 -10.646 -3.238 1.00 0.00 O ATOM 319 CB ARG A 365 -7.350 -10.744 -0.655 1.00 0.00 C ATOM 320 CG ARG A 365 -7.957 -12.029 -1.195 1.00 0.00 C ATOM 321 CD ARG A 365 -9.202 -12.426 -0.417 1.00 0.00 C ATOM 322 NE ARG A 365 -10.004 -13.413 -1.135 1.00 0.00 N ATOM 323 CZ ARG A 365 -10.916 -14.183 -0.553 1.00 0.00 C ATOM 324 NH1 ARG A 365 -11.140 -14.082 0.750 1.00 0.00 N ATOM 325 NH2 ARG A 365 -11.606 -15.057 -1.274 1.00 0.00 N ATOM 0 H ARG A 365 -5.849 -9.380 0.742 1.00 0.00 H new ATOM 0 HA ARG A 365 -5.384 -11.569 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 365 -7.489 -10.713 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 365 -7.891 -9.894 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 365 -8.210 -11.899 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 365 -7.221 -12.831 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 365 -8.910 -12.831 0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 365 -9.806 -11.540 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 365 -9.855 -13.517 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 365 -10.611 -13.412 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 365 -11.841 -14.675 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 365 -11.436 -15.138 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 365 -12.306 -15.648 -0.826 1.00 0.00 H new ATOM 339 N ASP A 366 -6.225 -8.826 -2.595 1.00 0.00 N ATOM 340 CA ASP A 366 -6.127 -8.170 -3.894 1.00 0.00 C ATOM 341 C ASP A 366 -5.567 -6.758 -3.749 1.00 0.00 C ATOM 342 O ASP A 366 -5.315 -6.290 -2.638 1.00 0.00 O ATOM 343 CB ASP A 366 -7.498 -8.121 -4.570 1.00 0.00 C ATOM 344 CG ASP A 366 -7.894 -9.454 -5.174 1.00 0.00 C ATOM 345 OD1 ASP A 366 -8.465 -10.290 -4.443 1.00 0.00 O ATOM 346 OD2 ASP A 366 -7.633 -9.660 -6.377 1.00 0.00 O ATOM 0 H ASP A 366 -6.736 -8.293 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 366 -5.445 -8.750 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.249 -7.819 -3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -7.488 -7.360 -5.351 1.00 0.00 H new ATOM 351 N VAL A 367 -5.374 -6.084 -4.878 1.00 0.00 N ATOM 352 CA VAL A 367 -4.844 -4.726 -4.877 1.00 0.00 C ATOM 353 C VAL A 367 -5.871 -3.736 -4.339 1.00 0.00 C ATOM 354 O VAL A 367 -5.515 -2.673 -3.828 1.00 0.00 O ATOM 355 CB VAL A 367 -4.417 -4.289 -6.291 1.00 0.00 C ATOM 356 CG1 VAL A 367 -3.864 -2.872 -6.268 1.00 0.00 C ATOM 357 CG2 VAL A 367 -3.396 -5.260 -6.863 1.00 0.00 C ATOM 0 H VAL A 367 -5.577 -6.457 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 367 -3.970 -4.728 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 367 -5.295 -4.300 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 367 -3.568 -2.581 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 367 -4.630 -2.188 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 367 -2.997 -2.830 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 367 -3.106 -4.936 -7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 367 -2.517 -5.284 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 367 -3.833 -6.257 -6.918 1.00 0.00 H new ATOM 367 N TYR A 368 -7.145 -4.091 -4.456 1.00 0.00 N ATOM 368 CA TYR A 368 -8.225 -3.233 -3.983 1.00 0.00 C ATOM 369 C TYR A 368 -7.994 -2.817 -2.533 1.00 0.00 C ATOM 370 O TYR A 368 -8.353 -1.711 -2.128 1.00 0.00 O ATOM 371 CB TYR A 368 -9.569 -3.951 -4.112 1.00 0.00 C ATOM 372 CG TYR A 368 -10.762 -3.044 -3.913 1.00 0.00 C ATOM 373 CD1 TYR A 368 -10.995 -1.973 -4.766 1.00 0.00 C ATOM 374 CD2 TYR A 368 -11.657 -3.259 -2.871 1.00 0.00 C ATOM 375 CE1 TYR A 368 -12.083 -1.141 -4.587 1.00 0.00 C ATOM 376 CE2 TYR A 368 -12.748 -2.433 -2.686 1.00 0.00 C ATOM 377 CZ TYR A 368 -12.957 -1.375 -3.546 1.00 0.00 C ATOM 378 OH TYR A 368 -14.043 -0.549 -3.365 1.00 0.00 O ATOM 0 H TYR A 368 -7.456 -4.968 -4.875 1.00 0.00 H new ATOM 0 HA TYR A 368 -8.240 -2.336 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 368 -9.633 -4.410 -5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 368 -9.611 -4.759 -3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 368 -10.314 -1.788 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 368 -11.496 -4.086 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 368 -12.248 -0.312 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 368 -13.434 -2.614 -1.872 1.00 0.00 H new ATOM 0 HH TYR A 368 -14.559 -0.852 -2.589 1.00 0.00 H new ATOM 388 N HIS A 369 -7.392 -3.712 -1.756 1.00 0.00 N ATOM 389 CA HIS A 369 -7.112 -3.439 -0.351 1.00 0.00 C ATOM 390 C HIS A 369 -5.800 -2.676 -0.198 1.00 0.00 C ATOM 391 O HIS A 369 -5.609 -1.935 0.768 1.00 0.00 O ATOM 392 CB HIS A 369 -7.051 -4.745 0.442 1.00 0.00 C ATOM 393 CG HIS A 369 -8.387 -5.397 0.624 1.00 0.00 C ATOM 394 ND1 HIS A 369 -8.700 -6.180 1.715 1.00 0.00 N ATOM 395 CD2 HIS A 369 -9.496 -5.377 -0.152 1.00 0.00 C ATOM 396 CE1 HIS A 369 -9.942 -6.615 1.601 1.00 0.00 C ATOM 397 NE2 HIS A 369 -10.447 -6.142 0.476 1.00 0.00 N ATOM 0 H HIS A 369 -7.089 -4.632 -2.076 1.00 0.00 H new ATOM 0 HA HIS A 369 -7.920 -2.822 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 369 -6.383 -5.439 -0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 369 -6.616 -4.546 1.422 1.00 0.00 H new ATOM 0 HD2 HIS A 369 -9.611 -4.856 -1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 369 -10.457 -7.249 2.307 1.00 0.00 H new ATOM 0 HE2 HIS A 369 -11.390 -6.317 0.130 1.00 0.00 H new ATOM 405 N LEU A 370 -4.897 -2.861 -1.155 1.00 0.00 N ATOM 406 CA LEU A 370 -3.602 -2.191 -1.125 1.00 0.00 C ATOM 407 C LEU A 370 -3.739 -0.724 -1.521 1.00 0.00 C ATOM 408 O LEU A 370 -2.929 0.114 -1.125 1.00 0.00 O ATOM 409 CB LEU A 370 -2.620 -2.894 -2.064 1.00 0.00 C ATOM 410 CG LEU A 370 -1.312 -2.153 -2.345 1.00 0.00 C ATOM 411 CD1 LEU A 370 -0.445 -2.108 -1.096 1.00 0.00 C ATOM 412 CD2 LEU A 370 -0.562 -2.812 -3.494 1.00 0.00 C ATOM 0 H LEU A 370 -5.038 -3.470 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 370 -3.219 -2.240 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 370 -2.378 -3.869 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 370 -3.123 -3.075 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 370 -1.551 -1.129 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 370 0.481 -1.577 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 370 -0.980 -1.591 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 370 -0.214 -3.124 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 370 0.366 -2.272 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 370 -0.334 -3.846 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 370 -1.180 -2.791 -4.391 1.00 0.00 H new ATOM 424 N ASN A 371 -4.771 -0.421 -2.302 1.00 0.00 N ATOM 425 CA ASN A 371 -5.015 0.945 -2.749 1.00 0.00 C ATOM 426 C ASN A 371 -5.031 1.910 -1.568 1.00 0.00 C ATOM 427 O ASN A 371 -4.194 2.808 -1.475 1.00 0.00 O ATOM 428 CB ASN A 371 -6.342 1.027 -3.507 1.00 0.00 C ATOM 429 CG ASN A 371 -6.257 0.412 -4.890 1.00 0.00 C ATOM 430 OD1 ASN A 371 -5.172 0.083 -5.370 1.00 0.00 O ATOM 431 ND2 ASN A 371 -7.405 0.255 -5.539 1.00 0.00 N ATOM 0 H ASN A 371 -5.451 -1.103 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 371 -4.204 1.231 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 371 -7.117 0.519 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 371 -6.643 2.071 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 371 -7.411 -0.153 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 371 -8.281 0.542 -5.102 1.00 0.00 H new ATOM 438 N ARG A 372 -5.988 1.718 -0.667 1.00 0.00 N ATOM 439 CA ARG A 372 -6.114 2.571 0.509 1.00 0.00 C ATOM 440 C ARG A 372 -4.845 2.521 1.355 1.00 0.00 C ATOM 441 O ARG A 372 -4.493 3.493 2.024 1.00 0.00 O ATOM 442 CB ARG A 372 -7.318 2.143 1.350 1.00 0.00 C ATOM 443 CG ARG A 372 -7.801 3.216 2.312 1.00 0.00 C ATOM 444 CD ARG A 372 -7.104 3.112 3.659 1.00 0.00 C ATOM 445 NE ARG A 372 -7.813 2.224 4.576 1.00 0.00 N ATOM 446 CZ ARG A 372 -7.482 2.069 5.853 1.00 0.00 C ATOM 447 NH1 ARG A 372 -6.457 2.739 6.361 1.00 0.00 N ATOM 448 NH2 ARG A 372 -8.176 1.243 6.625 1.00 0.00 N ATOM 0 H ARG A 372 -6.688 0.979 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 372 -6.264 3.596 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -8.136 1.869 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -7.055 1.250 1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -7.618 4.201 1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -8.878 3.124 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -6.088 2.746 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -7.025 4.104 4.104 1.00 0.00 H new ATOM 0 HE ARG A 372 -8.606 1.693 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -5.921 3.375 5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -6.205 2.618 7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -8.965 0.726 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -7.920 1.125 7.605 1.00 0.00 H new ATOM 462 N HIS A 373 -4.162 1.380 1.322 1.00 0.00 N ATOM 463 CA HIS A 373 -2.933 1.203 2.086 1.00 0.00 C ATOM 464 C HIS A 373 -1.824 2.103 1.547 1.00 0.00 C ATOM 465 O HIS A 373 -1.019 2.639 2.310 1.00 0.00 O ATOM 466 CB HIS A 373 -2.486 -0.258 2.041 1.00 0.00 C ATOM 467 CG HIS A 373 -1.135 -0.491 2.646 1.00 0.00 C ATOM 468 ND1 HIS A 373 -0.927 -0.597 4.005 1.00 0.00 N ATOM 469 CD2 HIS A 373 0.080 -0.638 2.068 1.00 0.00 C ATOM 470 CE1 HIS A 373 0.358 -0.799 4.236 1.00 0.00 C ATOM 471 NE2 HIS A 373 0.991 -0.828 3.077 1.00 0.00 N ATOM 0 H HIS A 373 -4.439 0.565 0.774 1.00 0.00 H new ATOM 0 HA HIS A 373 -3.134 1.482 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 373 -3.220 -0.870 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 373 -2.473 -0.594 1.004 1.00 0.00 H new ATOM 0 HD1 HIS A 373 -1.652 -0.530 4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 373 0.293 -0.611 1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 373 0.814 -0.920 5.208 1.00 0.00 H new ATOM 479 N LYS A 374 -1.788 2.264 0.229 1.00 0.00 N ATOM 480 CA LYS A 374 -0.779 3.099 -0.412 1.00 0.00 C ATOM 481 C LYS A 374 -0.967 4.565 -0.037 1.00 0.00 C ATOM 482 O LYS A 374 -0.003 5.330 0.020 1.00 0.00 O ATOM 483 CB LYS A 374 -0.846 2.938 -1.933 1.00 0.00 C ATOM 484 CG LYS A 374 -0.173 1.676 -2.442 1.00 0.00 C ATOM 485 CD LYS A 374 0.053 1.730 -3.944 1.00 0.00 C ATOM 486 CE LYS A 374 -1.261 1.658 -4.707 1.00 0.00 C ATOM 487 NZ LYS A 374 -1.690 0.252 -4.941 1.00 0.00 N ATOM 0 H LYS A 374 -2.446 1.827 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 374 0.201 2.776 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 374 -1.891 2.933 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 374 -0.378 3.803 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 374 0.782 1.542 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 374 -0.788 0.810 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 374 0.575 2.652 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 374 0.697 0.904 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 374 -2.034 2.186 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 374 -1.154 2.169 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 374 -1.861 0.106 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 374 -0.944 -0.397 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 374 -2.565 0.063 -4.412 1.00 0.00 H new ATOM 501 N LEU A 375 -2.212 4.950 0.221 1.00 0.00 N ATOM 502 CA LEU A 375 -2.526 6.325 0.593 1.00 0.00 C ATOM 503 C LEU A 375 -1.866 6.695 1.918 1.00 0.00 C ATOM 504 O LEU A 375 -1.484 7.845 2.133 1.00 0.00 O ATOM 505 CB LEU A 375 -4.040 6.514 0.695 1.00 0.00 C ATOM 506 CG LEU A 375 -4.797 6.597 -0.631 1.00 0.00 C ATOM 507 CD1 LEU A 375 -6.298 6.562 -0.393 1.00 0.00 C ATOM 508 CD2 LEU A 375 -4.404 7.856 -1.391 1.00 0.00 C ATOM 0 H LEU A 375 -3.020 4.329 0.179 1.00 0.00 H new ATOM 0 HA LEU A 375 -2.135 6.983 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 375 -4.451 5.687 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 375 -4.235 7.426 1.259 1.00 0.00 H new ATOM 0 HG LEU A 375 -4.527 5.732 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 375 -6.819 6.622 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 375 -6.565 5.632 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 375 -6.587 7.407 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 375 -4.952 7.899 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 375 -4.645 8.733 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 375 -3.333 7.838 -1.595 1.00 0.00 H new ATOM 520 N SER A 376 -1.733 5.711 2.802 1.00 0.00 N ATOM 521 CA SER A 376 -1.120 5.933 4.106 1.00 0.00 C ATOM 522 C SER A 376 0.378 6.185 3.967 1.00 0.00 C ATOM 523 O SER A 376 0.958 6.978 4.710 1.00 0.00 O ATOM 524 CB SER A 376 -1.364 4.730 5.019 1.00 0.00 C ATOM 525 OG SER A 376 -0.678 4.876 6.251 1.00 0.00 O ATOM 0 H SER A 376 -2.042 4.753 2.639 1.00 0.00 H new ATOM 0 HA SER A 376 -1.579 6.816 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 376 -2.433 4.622 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.033 3.819 4.521 1.00 0.00 H new ATOM 0 HG SER A 376 -0.852 4.095 6.817 1.00 0.00 H new ATOM 531 N HIS A 377 1.000 5.504 3.010 1.00 0.00 N ATOM 532 CA HIS A 377 2.431 5.653 2.772 1.00 0.00 C ATOM 533 C HIS A 377 2.761 7.072 2.321 1.00 0.00 C ATOM 534 O HIS A 377 1.898 7.791 1.817 1.00 0.00 O ATOM 535 CB HIS A 377 2.902 4.648 1.720 1.00 0.00 C ATOM 536 CG HIS A 377 3.134 3.273 2.266 1.00 0.00 C ATOM 537 ND1 HIS A 377 3.609 3.040 3.539 1.00 0.00 N ATOM 538 CD2 HIS A 377 2.953 2.055 1.704 1.00 0.00 C ATOM 539 CE1 HIS A 377 3.712 1.738 3.737 1.00 0.00 C ATOM 540 NE2 HIS A 377 3.319 1.117 2.639 1.00 0.00 N ATOM 0 H HIS A 377 0.535 4.844 2.387 1.00 0.00 H new ATOM 0 HA HIS A 377 2.953 5.458 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 377 2.160 4.593 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 377 3.826 5.012 1.270 1.00 0.00 H new ATOM 0 HD1 HIS A 377 3.844 3.761 4.222 1.00 0.00 H new ATOM 0 HD2 HIS A 377 2.589 1.857 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 377 4.059 1.262 4.642 1.00 0.00 H new ATOM 548 N SER A 378 4.016 7.470 2.506 1.00 0.00 N ATOM 549 CA SER A 378 4.460 8.805 2.122 1.00 0.00 C ATOM 550 C SER A 378 5.638 8.729 1.156 1.00 0.00 C ATOM 551 O SER A 378 6.705 8.222 1.499 1.00 0.00 O ATOM 552 CB SER A 378 4.853 9.611 3.362 1.00 0.00 C ATOM 553 OG SER A 378 3.753 9.759 4.243 1.00 0.00 O ATOM 0 H SER A 378 4.743 6.887 2.920 1.00 0.00 H new ATOM 0 HA SER A 378 3.633 9.306 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 378 5.673 9.112 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 378 5.217 10.593 3.061 1.00 0.00 H new ATOM 0 HG SER A 378 4.030 10.276 5.028 1.00 0.00 H new ATOM 559 N GLY A 379 5.436 9.238 -0.055 1.00 0.00 N ATOM 560 CA GLY A 379 6.489 9.219 -1.054 1.00 0.00 C ATOM 561 C GLY A 379 7.241 10.533 -1.128 1.00 0.00 C ATOM 562 O GLY A 379 7.617 10.979 -2.212 1.00 0.00 O ATOM 0 H GLY A 379 4.562 9.664 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 379 7.189 8.416 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 379 6.056 8.996 -2.029 1.00 0.00 H new ATOM 566 N GLU A 380 7.459 11.155 0.026 1.00 0.00 N ATOM 567 CA GLU A 380 8.169 12.427 0.085 1.00 0.00 C ATOM 568 C GLU A 380 9.590 12.284 -0.453 1.00 0.00 C ATOM 569 O GLU A 380 10.490 11.826 0.251 1.00 0.00 O ATOM 570 CB GLU A 380 8.208 12.949 1.523 1.00 0.00 C ATOM 571 CG GLU A 380 6.834 13.257 2.096 1.00 0.00 C ATOM 572 CD GLU A 380 6.342 14.641 1.718 1.00 0.00 C ATOM 573 OE1 GLU A 380 7.012 15.630 2.083 1.00 0.00 O ATOM 574 OE2 GLU A 380 5.287 14.734 1.056 1.00 0.00 O ATOM 0 H GLU A 380 7.154 10.799 0.932 1.00 0.00 H new ATOM 0 HA GLU A 380 7.632 13.141 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 380 8.699 12.210 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 380 8.817 13.852 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 380 6.121 12.513 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 380 6.870 13.172 3.182 1.00 0.00 H new ATOM 581 N LYS A 381 9.783 12.677 -1.708 1.00 0.00 N ATOM 582 CA LYS A 381 11.093 12.593 -2.343 1.00 0.00 C ATOM 583 C LYS A 381 11.087 13.298 -3.696 1.00 0.00 C ATOM 584 O LYS A 381 11.145 12.668 -4.751 1.00 0.00 O ATOM 585 CB LYS A 381 11.504 11.130 -2.520 1.00 0.00 C ATOM 586 CG LYS A 381 12.978 10.947 -2.840 1.00 0.00 C ATOM 587 CD LYS A 381 13.234 9.629 -3.552 1.00 0.00 C ATOM 588 CE LYS A 381 14.669 9.534 -4.048 1.00 0.00 C ATOM 589 NZ LYS A 381 15.650 9.822 -2.965 1.00 0.00 N ATOM 0 H LYS A 381 9.049 13.057 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 381 11.816 13.091 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 381 11.268 10.582 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 381 10.910 10.688 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 381 13.321 11.772 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 381 13.559 10.983 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 381 13.027 8.801 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 381 12.549 9.530 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 381 14.850 8.536 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 381 14.817 10.236 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 16.606 9.568 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 15.621 10.835 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 15.409 9.264 -2.121 1.00 0.00 H new ATOM 603 N PRO A 382 11.017 14.638 -3.666 1.00 0.00 N ATOM 604 CA PRO A 382 11.005 15.457 -4.881 1.00 0.00 C ATOM 605 C PRO A 382 12.349 15.445 -5.601 1.00 0.00 C ATOM 606 O PRO A 382 13.380 15.129 -5.008 1.00 0.00 O ATOM 607 CB PRO A 382 10.690 16.861 -4.359 1.00 0.00 C ATOM 608 CG PRO A 382 11.163 16.855 -2.946 1.00 0.00 C ATOM 609 CD PRO A 382 10.945 15.455 -2.443 1.00 0.00 C ATOM 0 HA PRO A 382 10.287 15.089 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 382 11.202 17.625 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 382 9.623 17.075 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 382 12.215 17.132 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 382 10.608 17.576 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 382 11.707 15.164 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 382 9.980 15.352 -1.947 1.00 0.00 H new ATOM 617 N TYR A 383 12.330 15.793 -6.883 1.00 0.00 N ATOM 618 CA TYR A 383 13.548 15.821 -7.685 1.00 0.00 C ATOM 619 C TYR A 383 13.935 17.254 -8.038 1.00 0.00 C ATOM 620 O TYR A 383 13.164 18.189 -7.822 1.00 0.00 O ATOM 621 CB TYR A 383 13.360 15.003 -8.964 1.00 0.00 C ATOM 622 CG TYR A 383 14.641 14.388 -9.483 1.00 0.00 C ATOM 623 CD1 TYR A 383 15.289 13.384 -8.774 1.00 0.00 C ATOM 624 CD2 TYR A 383 15.203 14.813 -10.680 1.00 0.00 C ATOM 625 CE1 TYR A 383 16.460 12.820 -9.244 1.00 0.00 C ATOM 626 CE2 TYR A 383 16.372 14.254 -11.158 1.00 0.00 C ATOM 627 CZ TYR A 383 16.997 13.258 -10.437 1.00 0.00 C ATOM 628 OH TYR A 383 18.162 12.700 -10.909 1.00 0.00 O ATOM 0 H TYR A 383 11.485 16.059 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 383 14.352 15.381 -7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 383 12.636 14.210 -8.775 1.00 0.00 H new ATOM 0 HB3 TYR A 383 12.936 15.644 -9.736 1.00 0.00 H new ATOM 0 HD1 TYR A 383 14.871 13.039 -7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 383 14.718 15.594 -11.247 1.00 0.00 H new ATOM 0 HE1 TYR A 383 16.952 12.041 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 383 16.795 14.595 -12.092 1.00 0.00 H new ATOM 0 HH TYR A 383 18.404 13.120 -11.761 1.00 0.00 H new ATOM 638 N SER A 384 15.136 17.418 -8.583 1.00 0.00 N ATOM 639 CA SER A 384 15.629 18.737 -8.964 1.00 0.00 C ATOM 640 C SER A 384 15.988 18.775 -10.447 1.00 0.00 C ATOM 641 O SER A 384 17.037 18.279 -10.856 1.00 0.00 O ATOM 642 CB SER A 384 16.850 19.111 -8.122 1.00 0.00 C ATOM 643 OG SER A 384 17.178 20.480 -8.280 1.00 0.00 O ATOM 0 H SER A 384 15.786 16.654 -8.771 1.00 0.00 H new ATOM 0 HA SER A 384 14.835 19.461 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 384 16.649 18.901 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 384 17.700 18.494 -8.414 1.00 0.00 H new ATOM 0 HG SER A 384 17.961 20.694 -7.731 1.00 0.00 H new ATOM 649 N SER A 385 15.107 19.369 -11.247 1.00 0.00 N ATOM 650 CA SER A 385 15.328 19.469 -12.684 1.00 0.00 C ATOM 651 C SER A 385 16.652 20.165 -12.983 1.00 0.00 C ATOM 652 O SER A 385 17.140 20.965 -12.186 1.00 0.00 O ATOM 653 CB SER A 385 14.178 20.231 -13.346 1.00 0.00 C ATOM 654 OG SER A 385 14.003 19.823 -14.692 1.00 0.00 O ATOM 0 H SER A 385 14.235 19.788 -10.924 1.00 0.00 H new ATOM 0 HA SER A 385 15.368 18.459 -13.092 1.00 0.00 H new ATOM 0 HB2 SER A 385 13.257 20.061 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 385 14.379 21.302 -13.311 1.00 0.00 H new ATOM 0 HG SER A 385 13.261 20.323 -15.092 1.00 0.00 H new ATOM 660 N GLY A 386 17.230 19.853 -14.140 1.00 0.00 N ATOM 661 CA GLY A 386 18.493 20.456 -14.525 1.00 0.00 C ATOM 662 C GLY A 386 19.095 19.805 -15.755 1.00 0.00 C ATOM 663 O GLY A 386 19.132 20.390 -16.837 1.00 0.00 O ATOM 0 H GLY A 386 16.846 19.194 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 386 18.341 21.518 -14.717 1.00 0.00 H new ATOM 0 HA3 GLY A 386 19.196 20.379 -13.696 1.00 0.00 H new ATOM 667 N PRO A 387 19.581 18.566 -15.595 1.00 0.00 N ATOM 668 CA PRO A 387 20.195 17.809 -16.690 1.00 0.00 C ATOM 669 C PRO A 387 19.176 17.379 -17.740 1.00 0.00 C ATOM 670 O PRO A 387 18.074 16.943 -17.406 1.00 0.00 O ATOM 671 CB PRO A 387 20.787 16.585 -15.987 1.00 0.00 C ATOM 672 CG PRO A 387 19.965 16.419 -14.757 1.00 0.00 C ATOM 673 CD PRO A 387 19.570 17.807 -14.333 1.00 0.00 C ATOM 0 HA PRO A 387 20.930 18.402 -17.234 1.00 0.00 H new ATOM 0 HB2 PRO A 387 20.733 15.700 -16.621 1.00 0.00 H new ATOM 0 HB3 PRO A 387 21.838 16.739 -15.743 1.00 0.00 H new ATOM 0 HG2 PRO A 387 19.086 15.806 -14.955 1.00 0.00 H new ATOM 0 HG3 PRO A 387 20.533 15.918 -13.973 1.00 0.00 H new ATOM 0 HD2 PRO A 387 18.585 17.819 -13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 387 20.272 18.221 -13.609 1.00 0.00 H new ATOM 681 N SER A 388 19.551 17.504 -19.009 1.00 0.00 N ATOM 682 CA SER A 388 18.667 17.131 -20.107 1.00 0.00 C ATOM 683 C SER A 388 18.280 15.658 -20.017 1.00 0.00 C ATOM 684 O SER A 388 18.704 14.948 -19.105 1.00 0.00 O ATOM 685 CB SER A 388 19.343 17.411 -21.451 1.00 0.00 C ATOM 686 OG SER A 388 19.476 18.804 -21.674 1.00 0.00 O ATOM 0 H SER A 388 20.461 17.861 -19.302 1.00 0.00 H new ATOM 0 HA SER A 388 17.761 17.732 -20.031 1.00 0.00 H new ATOM 0 HB2 SER A 388 20.326 16.941 -21.472 1.00 0.00 H new ATOM 0 HB3 SER A 388 18.759 16.965 -22.256 1.00 0.00 H new ATOM 0 HG SER A 388 19.912 18.957 -22.538 1.00 0.00 H new ATOM 692 N SER A 389 17.472 15.206 -20.971 1.00 0.00 N ATOM 693 CA SER A 389 17.024 13.818 -20.998 1.00 0.00 C ATOM 694 C SER A 389 17.248 13.202 -22.376 1.00 0.00 C ATOM 695 O SER A 389 16.900 13.794 -23.397 1.00 0.00 O ATOM 696 CB SER A 389 15.544 13.731 -20.622 1.00 0.00 C ATOM 697 OG SER A 389 15.057 12.409 -20.772 1.00 0.00 O ATOM 0 H SER A 389 17.114 15.780 -21.735 1.00 0.00 H new ATOM 0 HA SER A 389 17.610 13.258 -20.269 1.00 0.00 H new ATOM 0 HB2 SER A 389 15.408 14.057 -19.591 1.00 0.00 H new ATOM 0 HB3 SER A 389 14.965 14.409 -21.250 1.00 0.00 H new ATOM 0 HG SER A 389 14.109 12.379 -20.524 1.00 0.00 H new ATOM 703 N GLY A 390 17.832 12.008 -22.396 1.00 0.00 N ATOM 704 CA GLY A 390 18.092 11.331 -23.653 1.00 0.00 C ATOM 705 C GLY A 390 19.228 10.332 -23.548 1.00 0.00 C ATOM 706 O GLY A 390 18.983 9.132 -23.657 1.00 0.00 O ATOM 0 H GLY A 390 18.130 11.498 -21.565 1.00 0.00 H new ATOM 0 HA2 GLY A 390 17.188 10.816 -23.979 1.00 0.00 H new ATOM 0 HA3 GLY A 390 18.331 12.070 -24.418 1.00 0.00 H new TER 710 GLY A 390 HETATM 711 ZN ZN A 201 3.059 -0.829 2.695 1.00 0.00 ZN