USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 327 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 334 HIS : no HE2:sc= -4.38! K(o=-27!,f=-29) USER MOD Set 1.2: A 359 CYS SG : rot 148:sc= 0.395 USER MOD Set 1.3: A 362 CYS SG : rot 119:sc= -12.1! USER MOD Set 1.4: A 377 CYS SG : rot -59:sc= -11.4! USER MOD Set 2.1: A 346 CYS SG : rot 179:sc= -2.26 USER MOD Set 2.2: A 349 CYS SG : rot -105:sc= -7.34! USER MOD Set 2.3: A 367 HIS : no HE2:sc= -12.9! C(o=-29!,f=-50!) USER MOD Set 2.4: A 370 CYS SG : rot -128:sc= -6.83! USER MOD Single : A 337 SER OG : rot 20:sc= 0.158 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 152:sc= -0.237 (180deg=-0.997) USER MOD Single : A 340 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 344 GLN : amide:sc= 0.218 K(o=0.22,f=-6.3!) USER MOD Single : A 347 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 350 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 151:sc= 1.41 (180deg=1.05) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl -178:sc= -2.89 (180deg=-3.06) USER MOD Single : A 358 LYS NZ :NH3+ -133:sc= -0.604 (180deg=-2.59!) USER MOD Single : A 360 LYS NZ :NH3+ 146:sc= -0.255 (180deg=-1.41!) USER MOD Single : A 361 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot 148:sc= -1.03 USER MOD Single : A 368 ASN : amide:sc= -4.75! C(o=-4.8!,f=-8!) USER MOD Single : A 369 LYS NZ :NH3+ -161:sc= -0.014 (180deg=-0.223) USER MOD Single : A 371 THR OG1 : rot 140:sc= -1.41 USER MOD Single : A 372 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0216) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 70.866 9.184 4.802 1.00 0.00 N ATOM 52 CA HIS A 334 70.404 8.384 3.673 1.00 0.00 C ATOM 53 C HIS A 334 70.137 6.946 4.107 1.00 0.00 C ATOM 54 O HIS A 334 70.659 6.488 5.124 1.00 0.00 O ATOM 55 CB HIS A 334 71.435 8.430 2.542 1.00 0.00 C ATOM 56 CG HIS A 334 71.910 9.820 2.247 1.00 0.00 C ATOM 57 ND1 HIS A 334 73.014 10.062 1.463 1.00 0.00 N ATOM 58 CD2 HIS A 334 71.401 11.004 2.672 1.00 0.00 C ATOM 59 CE1 HIS A 334 73.149 11.378 1.433 1.00 0.00 C ATOM 60 NE2 HIS A 334 72.195 11.989 2.150 1.00 0.00 N ATOM 0 HA HIS A 334 69.467 8.803 3.305 1.00 0.00 H new ATOM 0 HB2 HIS A 334 72.289 7.808 2.809 1.00 0.00 H new ATOM 0 HB3 HIS A 334 70.998 8.001 1.640 1.00 0.00 H new ATOM 0 HD1 HIS A 334 73.605 9.371 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 334 70.535 11.143 3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 334 73.931 11.896 0.897 1.00 0.00 H new ATOM 68 N ARG A 335 69.307 6.242 3.344 1.00 0.00 N ATOM 69 CA ARG A 335 68.957 4.863 3.668 1.00 0.00 C ATOM 70 C ARG A 335 69.854 3.867 2.941 1.00 0.00 C ATOM 71 O ARG A 335 69.854 3.793 1.712 1.00 0.00 O ATOM 72 CB ARG A 335 67.493 4.593 3.316 1.00 0.00 C ATOM 73 CG ARG A 335 66.545 5.689 3.775 1.00 0.00 C ATOM 74 CD ARG A 335 65.092 5.270 3.618 1.00 0.00 C ATOM 75 NE ARG A 335 64.182 6.409 3.702 1.00 0.00 N ATOM 76 CZ ARG A 335 64.099 7.362 2.776 1.00 0.00 C ATOM 77 NH1 ARG A 335 64.869 7.315 1.696 1.00 0.00 N ATOM 78 NH2 ARG A 335 63.245 8.364 2.931 1.00 0.00 N ATOM 0 H ARG A 335 68.865 6.603 2.499 1.00 0.00 H new ATOM 0 HA ARG A 335 69.106 4.730 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 335 67.403 4.475 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 335 67.188 3.648 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 335 66.744 5.930 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 335 66.728 6.595 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 335 64.960 4.771 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 335 64.838 4.545 4.392 1.00 0.00 H new ATOM 0 HE ARG A 335 63.574 6.479 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 335 65.528 6.546 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 335 64.802 8.048 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 335 62.652 8.405 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 335 63.181 9.094 2.222 1.00 0.00 H new ATOM 92 N PHE A 336 70.610 3.097 3.716 1.00 0.00 N ATOM 93 CA PHE A 336 71.503 2.098 3.185 1.00 0.00 C ATOM 94 C PHE A 336 70.834 0.724 3.189 1.00 0.00 C ATOM 95 O PHE A 336 70.001 0.435 4.048 1.00 0.00 O ATOM 96 CB PHE A 336 72.749 2.062 4.059 1.00 0.00 C ATOM 97 CG PHE A 336 73.974 2.691 3.455 1.00 0.00 C ATOM 98 CD1 PHE A 336 74.410 2.329 2.190 1.00 0.00 C ATOM 99 CD2 PHE A 336 74.699 3.635 4.164 1.00 0.00 C ATOM 100 CE1 PHE A 336 75.546 2.899 1.645 1.00 0.00 C ATOM 101 CE2 PHE A 336 75.836 4.206 3.625 1.00 0.00 C ATOM 102 CZ PHE A 336 76.259 3.838 2.363 1.00 0.00 C ATOM 0 H PHE A 336 70.614 3.156 4.734 1.00 0.00 H new ATOM 0 HA PHE A 336 71.763 2.348 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 336 72.528 2.566 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 336 72.975 1.023 4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 336 73.857 1.594 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 336 74.371 3.928 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 336 75.875 2.610 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 336 76.393 4.939 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 336 77.146 4.284 1.938 1.00 0.00 H new ATOM 112 N SER A 337 71.211 -0.122 2.241 1.00 0.00 N ATOM 113 CA SER A 337 70.652 -1.473 2.156 1.00 0.00 C ATOM 114 C SER A 337 71.759 -2.501 1.936 1.00 0.00 C ATOM 115 O SER A 337 72.572 -2.355 1.031 1.00 0.00 O ATOM 116 CB SER A 337 69.628 -1.555 1.022 1.00 0.00 C ATOM 117 OG SER A 337 70.251 -1.388 -0.240 1.00 0.00 O ATOM 0 H SER A 337 71.899 0.097 1.520 1.00 0.00 H new ATOM 0 HA SER A 337 70.153 -1.696 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 337 69.120 -2.519 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 337 68.866 -0.788 1.159 1.00 0.00 H new ATOM 0 HG SER A 337 71.211 -1.565 -0.157 1.00 0.00 H new ATOM 123 N THR A 338 71.794 -3.541 2.766 1.00 0.00 N ATOM 124 CA THR A 338 72.826 -4.569 2.642 1.00 0.00 C ATOM 125 C THR A 338 72.497 -5.584 1.554 1.00 0.00 C ATOM 126 O THR A 338 71.356 -6.021 1.408 1.00 0.00 O ATOM 127 CB THR A 338 73.040 -5.298 3.969 1.00 0.00 C ATOM 128 OG1 THR A 338 73.358 -4.381 5.000 1.00 0.00 O ATOM 129 CG2 THR A 338 74.154 -6.328 3.906 1.00 0.00 C ATOM 0 H THR A 338 71.128 -3.694 3.523 1.00 0.00 H new ATOM 0 HA THR A 338 73.744 -4.053 2.362 1.00 0.00 H new ATOM 0 HB THR A 338 72.101 -5.810 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 338 73.489 -4.867 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 338 74.258 -6.812 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 338 73.915 -7.077 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 338 75.090 -5.836 3.644 1.00 0.00 H new ATOM 137 N LYS A 339 73.526 -5.954 0.801 1.00 0.00 N ATOM 138 CA LYS A 339 73.400 -6.921 -0.277 1.00 0.00 C ATOM 139 C LYS A 339 74.709 -7.687 -0.445 1.00 0.00 C ATOM 140 O LYS A 339 75.796 -7.120 -0.286 1.00 0.00 O ATOM 141 CB LYS A 339 73.029 -6.218 -1.585 1.00 0.00 C ATOM 142 CG LYS A 339 71.531 -6.133 -1.826 1.00 0.00 C ATOM 143 CD LYS A 339 71.054 -7.233 -2.760 1.00 0.00 C ATOM 144 CE LYS A 339 70.831 -8.539 -2.016 1.00 0.00 C ATOM 145 NZ LYS A 339 69.891 -8.374 -0.873 1.00 0.00 N ATOM 0 H LYS A 339 74.471 -5.590 0.923 1.00 0.00 H new ATOM 0 HA LYS A 339 72.607 -7.625 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 339 73.445 -5.211 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 339 73.493 -6.748 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 339 71.004 -6.208 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 339 71.284 -5.160 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 339 70.126 -6.925 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 339 71.789 -7.385 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 339 70.437 -9.286 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 339 71.786 -8.915 -1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 69.401 -9.274 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 70.423 -8.095 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 69.192 -7.638 -1.102 1.00 0.00 H new ATOM 159 N SER A 340 74.602 -8.974 -0.756 1.00 0.00 N ATOM 160 CA SER A 340 75.777 -9.818 -0.938 1.00 0.00 C ATOM 161 C SER A 340 75.537 -10.860 -2.028 1.00 0.00 C ATOM 162 O SER A 340 74.604 -10.737 -2.821 1.00 0.00 O ATOM 163 CB SER A 340 76.139 -10.508 0.379 1.00 0.00 C ATOM 164 OG SER A 340 76.042 -9.610 1.470 1.00 0.00 O ATOM 0 H SER A 340 73.713 -9.456 -0.887 1.00 0.00 H new ATOM 0 HA SER A 340 76.608 -9.184 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 340 75.475 -11.357 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 340 77.153 -10.904 0.319 1.00 0.00 H new ATOM 0 HG SER A 340 76.277 -10.076 2.299 1.00 0.00 H new ATOM 224 N GLN A 344 79.933 -8.116 -6.193 1.00 0.00 N ATOM 225 CA GLN A 344 81.203 -7.476 -6.517 1.00 0.00 C ATOM 226 C GLN A 344 81.933 -7.030 -5.254 1.00 0.00 C ATOM 227 O GLN A 344 81.343 -6.949 -4.176 1.00 0.00 O ATOM 228 CB GLN A 344 80.971 -6.275 -7.436 1.00 0.00 C ATOM 229 CG GLN A 344 82.248 -5.711 -8.037 1.00 0.00 C ATOM 230 CD GLN A 344 83.081 -6.768 -8.735 1.00 0.00 C ATOM 231 OE1 GLN A 344 83.971 -7.371 -8.134 1.00 0.00 O ATOM 232 NE2 GLN A 344 82.796 -6.998 -10.011 1.00 0.00 N ATOM 0 HA GLN A 344 81.826 -8.207 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 344 80.300 -6.570 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 344 80.467 -5.490 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 344 81.994 -4.926 -8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 344 82.842 -5.247 -7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 344 82.050 -6.475 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 344 83.323 -7.698 -10.533 1.00 0.00 H new ATOM 241 N VAL A 345 83.222 -6.741 -5.398 1.00 0.00 N ATOM 242 CA VAL A 345 84.044 -6.299 -4.277 1.00 0.00 C ATOM 243 C VAL A 345 83.783 -4.831 -3.952 1.00 0.00 C ATOM 244 O VAL A 345 83.567 -4.018 -4.851 1.00 0.00 O ATOM 245 CB VAL A 345 85.544 -6.494 -4.572 1.00 0.00 C ATOM 246 CG1 VAL A 345 85.967 -5.670 -5.779 1.00 0.00 C ATOM 247 CG2 VAL A 345 86.381 -6.136 -3.352 1.00 0.00 C ATOM 0 H VAL A 345 83.722 -6.805 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 345 83.769 -6.911 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 345 85.713 -7.545 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 345 87.029 -5.823 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 345 85.393 -5.982 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 345 85.782 -4.614 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 345 87.437 -6.280 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 345 86.207 -5.094 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 345 86.099 -6.777 -2.517 1.00 0.00 H new ATOM 257 N CYS A 346 83.804 -4.503 -2.660 1.00 0.00 N ATOM 258 CA CYS A 346 83.572 -3.133 -2.195 1.00 0.00 C ATOM 259 C CYS A 346 84.210 -2.103 -3.128 1.00 0.00 C ATOM 260 O CYS A 346 85.155 -2.410 -3.854 1.00 0.00 O ATOM 261 CB CYS A 346 84.132 -2.960 -0.785 1.00 0.00 C ATOM 262 SG CYS A 346 83.722 -1.353 -0.035 1.00 0.00 S ATOM 0 H CYS A 346 83.981 -5.172 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 346 82.495 -2.964 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 346 83.748 -3.758 -0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 346 85.216 -3.072 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 346 84.216 -1.296 1.166 1.00 0.00 H new ATOM 267 N ASN A 347 83.682 -0.883 -3.104 1.00 0.00 N ATOM 268 CA ASN A 347 84.195 0.190 -3.950 1.00 0.00 C ATOM 269 C ASN A 347 85.026 1.186 -3.144 1.00 0.00 C ATOM 270 O ASN A 347 85.947 1.807 -3.672 1.00 0.00 O ATOM 271 CB ASN A 347 83.038 0.917 -4.639 1.00 0.00 C ATOM 272 CG ASN A 347 82.742 0.358 -6.017 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.585 -0.300 -6.627 1.00 0.00 O ATOM 274 ND2 ASN A 347 81.539 0.618 -6.516 1.00 0.00 N ATOM 0 H ASN A 347 82.899 -0.613 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 347 84.841 -0.260 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 347 82.144 0.841 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 347 83.278 1.977 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 347 81.283 0.268 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 347 80.871 1.168 -5.976 1.00 0.00 H new ATOM 281 N VAL A 348 84.692 1.339 -1.867 1.00 0.00 N ATOM 282 CA VAL A 348 85.406 2.265 -0.999 1.00 0.00 C ATOM 283 C VAL A 348 86.841 1.801 -0.751 1.00 0.00 C ATOM 284 O VAL A 348 87.770 2.254 -1.421 1.00 0.00 O ATOM 285 CB VAL A 348 84.677 2.448 0.350 1.00 0.00 C ATOM 286 CG1 VAL A 348 85.425 3.428 1.243 1.00 0.00 C ATOM 287 CG2 VAL A 348 83.248 2.914 0.121 1.00 0.00 C ATOM 0 H VAL A 348 83.932 0.834 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 348 85.433 3.226 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 348 84.650 1.484 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 348 84.892 3.540 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 348 86.429 3.051 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 348 85.490 4.396 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 348 82.748 3.038 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 348 83.256 3.866 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 348 82.714 2.172 -0.473 1.00 0.00 H new ATOM 297 N CYS A 349 87.022 0.900 0.211 1.00 0.00 N ATOM 298 CA CYS A 349 88.350 0.389 0.533 1.00 0.00 C ATOM 299 C CYS A 349 88.676 -0.876 -0.262 1.00 0.00 C ATOM 300 O CYS A 349 89.823 -1.320 -0.285 1.00 0.00 O ATOM 301 CB CYS A 349 88.475 0.119 2.036 1.00 0.00 C ATOM 302 SG CYS A 349 87.153 -0.922 2.735 1.00 0.00 S ATOM 0 H CYS A 349 86.269 0.511 0.778 1.00 0.00 H new ATOM 0 HA CYS A 349 89.072 1.155 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 349 89.435 -0.360 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 349 88.485 1.073 2.563 1.00 0.00 H new ATOM 0 HG CYS A 349 86.327 -0.179 3.410 1.00 0.00 H new ATOM 307 N GLN A 350 87.663 -1.447 -0.917 1.00 0.00 N ATOM 308 CA GLN A 350 87.836 -2.658 -1.723 1.00 0.00 C ATOM 309 C GLN A 350 88.705 -3.696 -1.013 1.00 0.00 C ATOM 310 O GLN A 350 89.933 -3.626 -1.050 1.00 0.00 O ATOM 311 CB GLN A 350 88.443 -2.313 -3.087 1.00 0.00 C ATOM 312 CG GLN A 350 89.674 -1.423 -3.009 1.00 0.00 C ATOM 313 CD GLN A 350 90.315 -1.196 -4.364 1.00 0.00 C ATOM 314 OE1 GLN A 350 91.526 -1.343 -4.523 1.00 0.00 O ATOM 315 NE2 GLN A 350 89.502 -0.835 -5.350 1.00 0.00 N ATOM 0 H GLN A 350 86.708 -1.088 -0.905 1.00 0.00 H new ATOM 0 HA GLN A 350 86.847 -3.093 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 350 88.708 -3.238 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 350 87.686 -1.817 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 350 89.396 -0.462 -2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 350 90.403 -1.876 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 350 88.504 -0.725 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 350 89.876 -0.668 -6.284 1.00 0.00 H new ATOM 324 N LYS A 351 88.056 -4.665 -0.374 1.00 0.00 N ATOM 325 CA LYS A 351 88.767 -5.722 0.338 1.00 0.00 C ATOM 326 C LYS A 351 88.244 -7.097 -0.069 1.00 0.00 C ATOM 327 O LYS A 351 87.178 -7.212 -0.673 1.00 0.00 O ATOM 328 CB LYS A 351 88.622 -5.536 1.849 1.00 0.00 C ATOM 329 CG LYS A 351 89.120 -4.188 2.346 1.00 0.00 C ATOM 330 CD LYS A 351 89.767 -4.304 3.717 1.00 0.00 C ATOM 331 CE LYS A 351 88.728 -4.279 4.827 1.00 0.00 C ATOM 332 NZ LYS A 351 88.410 -5.648 5.321 1.00 0.00 N ATOM 0 H LYS A 351 87.040 -4.740 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 351 89.822 -5.659 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 351 87.573 -5.650 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 351 89.171 -6.328 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 351 89.840 -3.781 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 351 88.287 -3.486 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 351 90.339 -5.230 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 351 90.472 -3.485 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 351 89.095 -3.671 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 351 87.817 -3.804 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 88.124 -5.599 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 87.633 -6.048 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 89.251 -6.254 5.231 1.00 0.00 H new ATOM 346 N SER A 352 89.001 -8.138 0.267 1.00 0.00 N ATOM 347 CA SER A 352 88.613 -9.506 -0.064 1.00 0.00 C ATOM 348 C SER A 352 87.343 -9.904 0.682 1.00 0.00 C ATOM 349 O SER A 352 87.398 -10.604 1.694 1.00 0.00 O ATOM 350 CB SER A 352 89.745 -10.476 0.277 1.00 0.00 C ATOM 351 OG SER A 352 89.358 -11.817 0.031 1.00 0.00 O ATOM 0 H SER A 352 89.886 -8.060 0.768 1.00 0.00 H new ATOM 0 HA SER A 352 88.415 -9.554 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 352 90.627 -10.234 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 352 90.024 -10.361 1.324 1.00 0.00 H new ATOM 0 HG SER A 352 90.099 -12.418 0.255 1.00 0.00 H new ATOM 357 N MET A 353 86.201 -9.449 0.178 1.00 0.00 N ATOM 358 CA MET A 353 84.913 -9.750 0.796 1.00 0.00 C ATOM 359 C MET A 353 83.774 -9.410 -0.153 1.00 0.00 C ATOM 360 O MET A 353 84.003 -8.942 -1.269 1.00 0.00 O ATOM 361 CB MET A 353 84.730 -8.966 2.106 1.00 0.00 C ATOM 362 CG MET A 353 85.608 -7.730 2.239 1.00 0.00 C ATOM 363 SD MET A 353 86.341 -7.570 3.880 1.00 0.00 S ATOM 364 CE MET A 353 87.332 -9.059 3.956 1.00 0.00 C ATOM 0 H MET A 353 86.140 -8.869 -0.659 1.00 0.00 H new ATOM 0 HA MET A 353 84.897 -10.817 1.018 1.00 0.00 H new ATOM 0 HB2 MET A 353 83.686 -8.663 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 353 84.936 -9.632 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 353 86.402 -7.771 1.493 1.00 0.00 H new ATOM 0 HG3 MET A 353 85.014 -6.842 2.023 1.00 0.00 H new ATOM 0 HE1 MET A 353 87.821 -9.122 4.928 1.00 0.00 H new ATOM 0 HE2 MET A 353 86.692 -9.930 3.815 1.00 0.00 H new ATOM 0 HE3 MET A 353 88.088 -9.033 3.171 1.00 0.00 H new ATOM 374 N ILE A 354 82.545 -9.568 0.325 1.00 0.00 N ATOM 375 CA ILE A 354 81.398 -9.199 -0.434 1.00 0.00 C ATOM 376 C ILE A 354 80.416 -8.562 0.497 1.00 0.00 C ATOM 377 O ILE A 354 79.540 -9.191 1.091 1.00 0.00 O ATOM 378 CB ILE A 354 80.733 -10.392 -1.112 1.00 0.00 C ATOM 379 CG1 ILE A 354 81.649 -10.948 -2.197 1.00 0.00 C ATOM 380 CG2 ILE A 354 79.373 -10.002 -1.688 1.00 0.00 C ATOM 381 CD1 ILE A 354 82.461 -12.144 -1.751 1.00 0.00 C ATOM 0 H ILE A 354 82.336 -9.955 1.246 1.00 0.00 H new ATOM 0 HA ILE A 354 81.716 -8.517 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 354 80.564 -11.170 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 354 81.046 -11.230 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 354 82.328 -10.161 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 354 78.918 -10.869 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 354 78.725 -9.649 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 354 79.504 -9.209 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 354 83.089 -12.485 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 354 83.091 -11.862 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 354 81.789 -12.948 -1.450 1.00 0.00 H new ATOM 393 N PHE A 355 80.580 -7.305 0.547 1.00 0.00 N ATOM 394 CA PHE A 355 79.742 -6.414 1.328 1.00 0.00 C ATOM 395 C PHE A 355 79.461 -5.153 0.530 1.00 0.00 C ATOM 396 O PHE A 355 80.389 -4.434 0.157 1.00 0.00 O ATOM 397 CB PHE A 355 80.415 -6.065 2.657 1.00 0.00 C ATOM 398 CG PHE A 355 80.410 -7.195 3.647 1.00 0.00 C ATOM 399 CD1 PHE A 355 81.191 -8.320 3.438 1.00 0.00 C ATOM 400 CD2 PHE A 355 79.625 -7.131 4.788 1.00 0.00 C ATOM 401 CE1 PHE A 355 81.189 -9.361 4.347 1.00 0.00 C ATOM 402 CE2 PHE A 355 79.619 -8.169 5.700 1.00 0.00 C ATOM 403 CZ PHE A 355 80.402 -9.285 5.480 1.00 0.00 C ATOM 0 H PHE A 355 81.320 -6.822 0.037 1.00 0.00 H new ATOM 0 HA PHE A 355 78.800 -6.917 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 355 81.445 -5.765 2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 355 79.909 -5.205 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 355 81.809 -8.384 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 355 79.011 -6.260 4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 355 81.802 -10.233 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 355 79.002 -8.108 6.584 1.00 0.00 H new ATOM 0 HZ PHE A 355 80.399 -10.097 6.192 1.00 0.00 H new ATOM 413 N GLY A 356 78.193 -4.874 0.269 1.00 0.00 N ATOM 414 CA GLY A 356 77.864 -3.682 -0.481 1.00 0.00 C ATOM 415 C GLY A 356 76.517 -3.124 -0.128 1.00 0.00 C ATOM 416 O GLY A 356 75.489 -3.747 -0.372 1.00 0.00 O ATOM 0 H GLY A 356 77.397 -5.442 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 356 78.625 -2.923 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.889 -3.911 -1.546 1.00 0.00 H new ATOM 420 N VAL A 357 76.528 -1.935 0.428 1.00 0.00 N ATOM 421 CA VAL A 357 75.298 -1.262 0.805 1.00 0.00 C ATOM 422 C VAL A 357 75.071 -0.049 -0.078 1.00 0.00 C ATOM 423 O VAL A 357 75.996 0.715 -0.347 1.00 0.00 O ATOM 424 CB VAL A 357 75.299 -0.832 2.284 1.00 0.00 C ATOM 425 CG1 VAL A 357 74.963 -2.011 3.183 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.638 -0.219 2.666 1.00 0.00 C ATOM 0 H VAL A 357 77.377 -1.408 0.632 1.00 0.00 H new ATOM 0 HA VAL A 357 74.487 -1.977 0.667 1.00 0.00 H new ATOM 0 HB VAL A 357 74.531 -0.071 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.968 -1.688 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.975 -2.394 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 357 75.704 -2.798 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.616 0.078 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.431 -0.951 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.828 0.657 2.045 1.00 0.00 H new ATOM 436 N LYS A 358 73.842 0.114 -0.540 1.00 0.00 N ATOM 437 CA LYS A 358 73.502 1.224 -1.408 1.00 0.00 C ATOM 438 C LYS A 358 72.744 2.306 -0.654 1.00 0.00 C ATOM 439 O LYS A 358 71.694 2.047 -0.062 1.00 0.00 O ATOM 440 CB LYS A 358 72.665 0.733 -2.590 1.00 0.00 C ATOM 441 CG LYS A 358 72.677 1.679 -3.779 1.00 0.00 C ATOM 442 CD LYS A 358 72.181 0.992 -5.042 1.00 0.00 C ATOM 443 CE LYS A 358 70.678 0.771 -5.002 1.00 0.00 C ATOM 444 NZ LYS A 358 70.312 -0.412 -4.176 1.00 0.00 N ATOM 0 H LYS A 358 73.064 -0.510 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 358 74.433 1.655 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 358 73.037 -0.241 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 358 71.636 0.590 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 358 72.050 2.544 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 358 73.689 2.051 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 358 72.438 1.597 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 358 72.688 0.034 -5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 358 70.191 1.659 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 358 70.304 0.635 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 69.626 -0.998 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 71.165 -0.973 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 69.889 -0.093 -3.281 1.00 0.00 H new ATOM 458 N CYS A 359 73.277 3.523 -0.699 1.00 0.00 N ATOM 459 CA CYS A 359 72.642 4.661 -0.047 1.00 0.00 C ATOM 460 C CYS A 359 71.930 5.505 -1.090 1.00 0.00 C ATOM 461 O CYS A 359 72.494 5.792 -2.146 1.00 0.00 O ATOM 462 CB CYS A 359 73.669 5.517 0.709 1.00 0.00 C ATOM 463 SG CYS A 359 74.611 6.686 -0.332 1.00 0.00 S ATOM 0 H CYS A 359 74.148 3.746 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 359 71.922 4.285 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 359 73.150 6.080 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 359 74.372 4.854 1.213 1.00 0.00 H new ATOM 0 HG CYS A 359 74.896 7.750 0.359 1.00 0.00 H new ATOM 468 N LYS A 360 70.704 5.913 -0.799 1.00 0.00 N ATOM 469 CA LYS A 360 69.957 6.713 -1.697 1.00 0.00 C ATOM 470 C LYS A 360 70.468 8.132 -1.664 1.00 0.00 C ATOM 471 O LYS A 360 71.525 8.423 -1.103 1.00 0.00 O ATOM 472 CB LYS A 360 68.480 6.643 -1.314 1.00 0.00 C ATOM 473 CG LYS A 360 67.628 5.789 -2.247 1.00 0.00 C ATOM 474 CD LYS A 360 68.373 4.554 -2.740 1.00 0.00 C ATOM 475 CE LYS A 360 67.600 3.278 -2.451 1.00 0.00 C ATOM 476 NZ LYS A 360 66.157 3.412 -2.792 1.00 0.00 N ATOM 0 H LYS A 360 70.219 5.688 0.070 1.00 0.00 H new ATOM 0 HA LYS A 360 70.070 6.343 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 360 68.398 6.247 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 360 68.074 7.654 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 360 66.721 5.480 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 360 67.317 6.389 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 360 68.548 4.639 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 360 69.351 4.503 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 360 68.032 2.455 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 360 67.701 3.024 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 65.796 2.500 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 65.625 3.696 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 66.041 4.134 -3.532 1.00 0.00 H new ATOM 490 N HIS A 361 69.713 8.994 -2.281 1.00 0.00 N ATOM 491 CA HIS A 361 70.051 10.413 -2.371 1.00 0.00 C ATOM 492 C HIS A 361 71.287 10.631 -3.253 1.00 0.00 C ATOM 493 O HIS A 361 71.384 11.634 -3.960 1.00 0.00 O ATOM 494 CB HIS A 361 70.292 10.998 -0.975 1.00 0.00 C ATOM 495 CG HIS A 361 69.153 11.827 -0.470 1.00 0.00 C ATOM 496 ND1 HIS A 361 69.244 13.188 -0.266 1.00 0.00 N ATOM 497 CD2 HIS A 361 67.889 11.482 -0.128 1.00 0.00 C ATOM 498 CE1 HIS A 361 68.087 13.643 0.181 1.00 0.00 C ATOM 499 NE2 HIS A 361 67.248 12.629 0.273 1.00 0.00 N ATOM 0 H HIS A 361 68.838 8.746 -2.743 1.00 0.00 H new ATOM 0 HA HIS A 361 69.207 10.929 -2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 361 70.476 10.183 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 361 71.194 11.609 -0.997 1.00 0.00 H new ATOM 0 HD2 HIS A 361 67.464 10.490 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 361 67.866 14.671 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 361 66.280 12.687 0.590 1.00 0.00 H new ATOM 508 N CYS A 362 72.229 9.690 -3.200 1.00 0.00 N ATOM 509 CA CYS A 362 73.458 9.778 -3.985 1.00 0.00 C ATOM 510 C CYS A 362 73.719 8.482 -4.753 1.00 0.00 C ATOM 511 O CYS A 362 74.263 8.506 -5.857 1.00 0.00 O ATOM 512 CB CYS A 362 74.661 10.084 -3.080 1.00 0.00 C ATOM 513 SG CYS A 362 74.233 10.632 -1.393 1.00 0.00 S ATOM 0 H CYS A 362 72.163 8.855 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 362 73.329 10.590 -4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 362 75.281 9.190 -3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 362 75.267 10.856 -3.554 1.00 0.00 H new ATOM 0 HG CYS A 362 74.710 9.787 -0.528 1.00 0.00 H new ATOM 518 N ARG A 363 73.340 7.351 -4.157 1.00 0.00 N ATOM 519 CA ARG A 363 73.544 6.044 -4.779 1.00 0.00 C ATOM 520 C ARG A 363 75.019 5.649 -4.721 1.00 0.00 C ATOM 521 O ARG A 363 75.719 5.665 -5.734 1.00 0.00 O ATOM 522 CB ARG A 363 73.047 6.049 -6.230 1.00 0.00 C ATOM 523 CG ARG A 363 71.895 5.090 -6.475 1.00 0.00 C ATOM 524 CD ARG A 363 70.725 5.376 -5.547 1.00 0.00 C ATOM 525 NE ARG A 363 69.440 5.248 -6.230 1.00 0.00 N ATOM 526 CZ ARG A 363 68.969 4.102 -6.716 1.00 0.00 C ATOM 527 NH1 ARG A 363 69.675 2.984 -6.598 1.00 0.00 N ATOM 528 NH2 ARG A 363 67.790 4.073 -7.322 1.00 0.00 N ATOM 0 H ARG A 363 72.889 7.315 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 363 72.965 5.307 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 363 72.733 7.058 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 363 73.874 5.789 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 363 71.567 5.171 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 363 72.236 4.065 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 363 70.756 4.688 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 363 70.821 6.383 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 363 68.870 6.087 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 363 70.583 3.001 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 363 69.310 2.108 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 363 67.244 4.929 -7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 363 67.429 3.195 -7.694 1.00 0.00 H new ATOM 542 N LEU A 364 75.484 5.299 -3.524 1.00 0.00 N ATOM 543 CA LEU A 364 76.878 4.904 -3.326 1.00 0.00 C ATOM 544 C LEU A 364 76.970 3.477 -2.792 1.00 0.00 C ATOM 545 O LEU A 364 75.980 2.918 -2.328 1.00 0.00 O ATOM 546 CB LEU A 364 77.567 5.867 -2.356 1.00 0.00 C ATOM 547 CG LEU A 364 79.001 6.247 -2.730 1.00 0.00 C ATOM 548 CD1 LEU A 364 79.054 6.803 -4.145 1.00 0.00 C ATOM 549 CD2 LEU A 364 79.560 7.256 -1.738 1.00 0.00 C ATOM 0 H LEU A 364 74.917 5.281 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 364 77.382 4.945 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 364 76.972 6.778 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 364 77.574 5.416 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 364 79.617 5.349 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 364 80.082 7.068 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 364 78.694 6.050 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 364 78.425 7.690 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 364 80.581 7.515 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 364 78.942 8.154 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 364 79.558 6.822 -0.738 1.00 0.00 H new ATOM 561 N LYS A 365 78.165 2.893 -2.857 1.00 0.00 N ATOM 562 CA LYS A 365 78.374 1.530 -2.374 1.00 0.00 C ATOM 563 C LYS A 365 79.596 1.454 -1.459 1.00 0.00 C ATOM 564 O LYS A 365 80.616 2.094 -1.716 1.00 0.00 O ATOM 565 CB LYS A 365 78.543 0.569 -3.552 1.00 0.00 C ATOM 566 CG LYS A 365 78.714 -0.882 -3.133 1.00 0.00 C ATOM 567 CD LYS A 365 78.143 -1.834 -4.172 1.00 0.00 C ATOM 568 CE LYS A 365 76.642 -2.004 -4.005 1.00 0.00 C ATOM 569 NZ LYS A 365 76.155 -3.270 -4.621 1.00 0.00 N ATOM 0 H LYS A 365 78.999 3.340 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 365 77.495 1.238 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 365 77.673 0.650 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 365 79.410 0.874 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 365 79.772 -1.096 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 365 78.218 -1.046 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 365 78.359 -1.456 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 365 78.632 -2.804 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 365 76.391 -1.996 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 365 76.128 -1.157 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 75.127 -3.349 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 76.371 -3.267 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 76.627 -4.080 -4.170 1.00 0.00 H new ATOM 583 N CYS A 366 79.484 0.675 -0.383 1.00 0.00 N ATOM 584 CA CYS A 366 80.579 0.528 0.575 1.00 0.00 C ATOM 585 C CYS A 366 80.460 -0.774 1.367 1.00 0.00 C ATOM 586 O CYS A 366 79.405 -1.405 1.381 1.00 0.00 O ATOM 587 CB CYS A 366 80.616 1.724 1.528 1.00 0.00 C ATOM 588 SG CYS A 366 79.040 2.070 2.342 1.00 0.00 S ATOM 0 H CYS A 366 78.648 0.137 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 366 81.511 0.492 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 366 81.374 1.544 2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 366 80.927 2.608 0.972 1.00 0.00 H new ATOM 0 HG CYS A 366 79.261 2.559 3.526 1.00 0.00 H new ATOM 594 N HIS A 367 81.561 -1.166 2.015 1.00 0.00 N ATOM 595 CA HIS A 367 81.610 -2.393 2.817 1.00 0.00 C ATOM 596 C HIS A 367 80.534 -2.382 3.896 1.00 0.00 C ATOM 597 O HIS A 367 80.837 -2.242 5.082 1.00 0.00 O ATOM 598 CB HIS A 367 82.982 -2.529 3.484 1.00 0.00 C ATOM 599 CG HIS A 367 84.010 -3.223 2.642 1.00 0.00 C ATOM 600 ND1 HIS A 367 85.135 -2.570 2.201 1.00 0.00 N ATOM 601 CD2 HIS A 367 84.046 -4.507 2.210 1.00 0.00 C ATOM 602 CE1 HIS A 367 85.828 -3.467 1.520 1.00 0.00 C ATOM 603 NE2 HIS A 367 85.207 -4.654 1.496 1.00 0.00 N ATOM 0 H HIS A 367 82.438 -0.646 1.999 1.00 0.00 H new ATOM 0 HA HIS A 367 81.435 -3.237 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 367 83.349 -1.535 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 367 82.866 -3.076 4.420 1.00 0.00 H new ATOM 0 HD1 HIS A 367 85.384 -1.595 2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 367 83.302 -5.269 2.393 1.00 0.00 H new ATOM 0 HE1 HIS A 367 86.776 -3.268 1.043 1.00 0.00 H new ATOM 611 N ASN A 368 79.276 -2.505 3.484 1.00 0.00 N ATOM 612 CA ASN A 368 78.152 -2.487 4.417 1.00 0.00 C ATOM 613 C ASN A 368 78.285 -1.338 5.420 1.00 0.00 C ATOM 614 O ASN A 368 77.663 -1.360 6.480 1.00 0.00 O ATOM 615 CB ASN A 368 78.041 -3.826 5.154 1.00 0.00 C ATOM 616 CG ASN A 368 79.180 -4.059 6.128 1.00 0.00 C ATOM 617 OD1 ASN A 368 80.239 -4.564 5.754 1.00 0.00 O ATOM 618 ND2 ASN A 368 78.968 -3.690 7.386 1.00 0.00 N ATOM 0 H ASN A 368 79.008 -2.619 2.507 1.00 0.00 H new ATOM 0 HA ASN A 368 77.241 -2.329 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 368 77.095 -3.861 5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 368 78.022 -4.636 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 368 79.698 -3.821 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 368 78.075 -3.275 7.652 1.00 0.00 H new ATOM 625 N LYS A 369 79.100 -0.337 5.065 1.00 0.00 N ATOM 626 CA LYS A 369 79.335 0.832 5.911 1.00 0.00 C ATOM 627 C LYS A 369 80.575 1.592 5.437 1.00 0.00 C ATOM 628 O LYS A 369 80.465 2.652 4.822 1.00 0.00 O ATOM 629 CB LYS A 369 79.506 0.431 7.384 1.00 0.00 C ATOM 630 CG LYS A 369 79.470 1.611 8.342 1.00 0.00 C ATOM 631 CD LYS A 369 78.265 2.500 8.083 1.00 0.00 C ATOM 632 CE LYS A 369 77.898 3.316 9.312 1.00 0.00 C ATOM 633 NZ LYS A 369 77.320 2.468 10.390 1.00 0.00 N ATOM 0 H LYS A 369 79.613 -0.318 4.184 1.00 0.00 H new ATOM 0 HA LYS A 369 78.461 1.479 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 369 78.717 -0.271 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 369 80.454 -0.094 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 369 79.441 1.247 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 369 80.384 2.195 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 369 78.479 3.171 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 369 77.415 1.885 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 369 78.785 3.825 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 369 77.181 4.088 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 76.797 3.067 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 76.673 1.769 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 78.086 1.975 10.892 1.00 0.00 H new ATOM 647 N CYS A 370 81.758 1.038 5.728 1.00 0.00 N ATOM 648 CA CYS A 370 83.035 1.652 5.338 1.00 0.00 C ATOM 649 C CYS A 370 83.035 3.164 5.539 1.00 0.00 C ATOM 650 O CYS A 370 83.782 3.889 4.883 1.00 0.00 O ATOM 651 CB CYS A 370 83.341 1.326 3.886 1.00 0.00 C ATOM 652 SG CYS A 370 84.969 0.542 3.630 1.00 0.00 S ATOM 0 H CYS A 370 81.858 0.159 6.236 1.00 0.00 H new ATOM 0 HA CYS A 370 83.808 1.236 5.985 1.00 0.00 H new ATOM 0 HB2 CYS A 370 82.565 0.664 3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 370 83.295 2.244 3.300 1.00 0.00 H new ATOM 0 HG CYS A 370 85.625 1.192 2.715 1.00 0.00 H new ATOM 657 N THR A 371 82.195 3.626 6.446 1.00 0.00 N ATOM 658 CA THR A 371 82.089 5.051 6.741 1.00 0.00 C ATOM 659 C THR A 371 83.426 5.610 7.219 1.00 0.00 C ATOM 660 O THR A 371 83.744 6.775 6.980 1.00 0.00 O ATOM 661 CB THR A 371 81.014 5.297 7.800 1.00 0.00 C ATOM 662 OG1 THR A 371 81.009 4.259 8.763 1.00 0.00 O ATOM 663 CG2 THR A 371 79.618 5.396 7.224 1.00 0.00 C ATOM 0 H THR A 371 81.571 3.035 6.996 1.00 0.00 H new ATOM 0 HA THR A 371 81.808 5.565 5.822 1.00 0.00 H new ATOM 0 HB THR A 371 81.271 6.254 8.254 1.00 0.00 H new ATOM 0 HG1 THR A 371 80.870 4.641 9.655 1.00 0.00 H new ATOM 0 HG21 THR A 371 78.904 5.571 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 371 79.575 6.222 6.515 1.00 0.00 H new ATOM 0 HG23 THR A 371 79.368 4.466 6.713 1.00 0.00 H new ATOM 671 N LYS A 372 84.203 4.772 7.897 1.00 0.00 N ATOM 672 CA LYS A 372 85.505 5.183 8.411 1.00 0.00 C ATOM 673 C LYS A 372 86.456 5.536 7.272 1.00 0.00 C ATOM 674 O LYS A 372 87.305 6.418 7.409 1.00 0.00 O ATOM 675 CB LYS A 372 86.111 4.072 9.270 1.00 0.00 C ATOM 676 CG LYS A 372 85.116 3.428 10.223 1.00 0.00 C ATOM 677 CD LYS A 372 84.635 2.083 9.702 1.00 0.00 C ATOM 678 CE LYS A 372 83.165 1.858 10.016 1.00 0.00 C ATOM 679 NZ LYS A 372 82.609 0.696 9.269 1.00 0.00 N ATOM 0 H LYS A 372 83.954 3.805 8.103 1.00 0.00 H new ATOM 0 HA LYS A 372 85.359 6.071 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 372 86.525 3.304 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 372 86.941 4.481 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 372 85.580 3.296 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 372 84.263 4.092 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 372 84.790 2.033 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 372 85.230 1.285 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 372 83.044 1.693 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 372 82.599 2.755 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 81.624 0.534 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 82.639 0.893 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 83.175 -0.152 9.475 1.00 0.00 H new ATOM 693 N GLU A 373 86.310 4.843 6.147 1.00 0.00 N ATOM 694 CA GLU A 373 87.158 5.085 4.985 1.00 0.00 C ATOM 695 C GLU A 373 86.434 5.937 3.948 1.00 0.00 C ATOM 696 O GLU A 373 86.911 7.005 3.564 1.00 0.00 O ATOM 697 CB GLU A 373 87.591 3.758 4.359 1.00 0.00 C ATOM 698 CG GLU A 373 88.563 2.967 5.219 1.00 0.00 C ATOM 699 CD GLU A 373 89.677 2.335 4.408 1.00 0.00 C ATOM 700 OE1 GLU A 373 90.384 3.075 3.693 1.00 0.00 O ATOM 701 OE2 GLU A 373 89.842 1.100 4.488 1.00 0.00 O ATOM 0 H GLU A 373 85.613 4.110 6.015 1.00 0.00 H new ATOM 0 HA GLU A 373 88.042 5.628 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 373 86.707 3.149 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 373 88.053 3.956 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 373 88.995 3.626 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 373 88.019 2.187 5.752 1.00 0.00 H new ATOM 708 N ALA A 374 85.279 5.457 3.497 1.00 0.00 N ATOM 709 CA ALA A 374 84.489 6.173 2.503 1.00 0.00 C ATOM 710 C ALA A 374 84.111 7.567 2.999 1.00 0.00 C ATOM 711 O ALA A 374 83.917 7.778 4.196 1.00 0.00 O ATOM 712 CB ALA A 374 83.239 5.378 2.152 1.00 0.00 C ATOM 0 H ALA A 374 84.870 4.575 3.805 1.00 0.00 H new ATOM 0 HA ALA A 374 85.098 6.289 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 374 82.658 5.924 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 374 83.527 4.408 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 374 82.636 5.233 3.049 1.00 0.00 H new ATOM 718 N PRO A 375 84.001 8.542 2.079 1.00 0.00 N ATOM 719 CA PRO A 375 83.644 9.919 2.429 1.00 0.00 C ATOM 720 C PRO A 375 82.158 10.073 2.732 1.00 0.00 C ATOM 721 O PRO A 375 81.320 9.395 2.137 1.00 0.00 O ATOM 722 CB PRO A 375 84.017 10.703 1.172 1.00 0.00 C ATOM 723 CG PRO A 375 83.854 9.726 0.059 1.00 0.00 C ATOM 724 CD PRO A 375 84.216 8.378 0.628 1.00 0.00 C ATOM 0 HA PRO A 375 84.153 10.259 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 375 83.369 11.569 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 375 85.040 11.076 1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 375 82.830 9.729 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 375 84.501 9.981 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 375 83.588 7.588 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 375 85.249 8.113 0.404 1.00 0.00 H new ATOM 732 N ALA A 376 81.836 10.969 3.659 1.00 0.00 N ATOM 733 CA ALA A 376 80.449 11.211 4.039 1.00 0.00 C ATOM 734 C ALA A 376 79.620 11.644 2.835 1.00 0.00 C ATOM 735 O ALA A 376 80.005 12.553 2.098 1.00 0.00 O ATOM 736 CB ALA A 376 80.378 12.261 5.137 1.00 0.00 C ATOM 0 H ALA A 376 82.517 11.539 4.161 1.00 0.00 H new ATOM 0 HA ALA A 376 80.033 10.278 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 376 79.337 12.431 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 376 80.930 11.913 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 376 80.816 13.192 4.779 1.00 0.00 H new ATOM 742 N CYS A 377 78.480 10.988 2.639 1.00 0.00 N ATOM 743 CA CYS A 377 77.597 11.306 1.523 1.00 0.00 C ATOM 744 C CYS A 377 77.174 12.772 1.561 1.00 0.00 C ATOM 745 O CYS A 377 76.956 13.338 2.632 1.00 0.00 O ATOM 746 CB CYS A 377 76.361 10.403 1.551 1.00 0.00 C ATOM 747 SG CYS A 377 75.923 9.694 -0.070 1.00 0.00 S ATOM 0 H CYS A 377 78.147 10.233 3.239 1.00 0.00 H new ATOM 0 HA CYS A 377 78.145 11.131 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 377 76.533 9.590 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 377 75.513 10.976 1.926 1.00 0.00 H new ATOM 0 HG CYS A 377 75.693 10.654 -0.916 1.00 0.00 H new