USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=18 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 346 CYS SG : rot 14:sc= -5.28! USER MOD Set 1.2: A 349 CYS SG : rot -112:sc= -1.37 USER MOD Set 1.3: A 367 HIS : +bothHN:sc= -11.7! C(o=-19!,f=-35!) USER MOD Set 1.4: A 370 CYS SG : rot -65:sc= -1.1 USER MOD Set 2.1: A 351 LYS NZ :NH3+ -108:sc= -0.34 (180deg=0) USER MOD Set 2.2: A 353 MET CE :methyl 174:sc= -6.41! (180deg=-7.05!) USER MOD Set 3.1: A 338 THR OG1 : rot -134:sc= 0.784 USER MOD Set 3.2: A 368 ASN : amide:sc= -0.566 K(o=0.22,f=-2.9) USER MOD Set 4.1: A 334 HIS : no HD1:sc= -6.3! C(o=-23!,f=-24!) USER MOD Set 4.2: A 359 CYS SG : rot 161:sc= -8.37! USER MOD Set 4.3: A 362 CYS SG : rot 89:sc= -1.4! USER MOD Set 4.4: A 377 CYS SG : rot -110:sc= -6.91! USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -1.01 X(o=-1,f=-0.86) USER MOD Single : A 347 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 350 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ -171:sc= -0.0555 (180deg=-0.128) USER MOD Single : A 360 LYS NZ :NH3+ 142:sc= -4.41 (180deg=-10.2!) USER MOD Single : A 361 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 365 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.165) USER MOD Single : A 366 CYS SG : rot -38:sc= -5.18! USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 80.097 -6.032 -10.089 1.00 0.00 N ATOM 52 CA HIS A 334 80.535 -5.894 -8.705 1.00 0.00 C ATOM 53 C HIS A 334 79.571 -6.604 -7.758 1.00 0.00 C ATOM 54 O HIS A 334 78.357 -6.584 -7.963 1.00 0.00 O ATOM 55 CB HIS A 334 80.643 -4.414 -8.325 1.00 0.00 C ATOM 56 CG HIS A 334 81.494 -3.611 -9.261 1.00 0.00 C ATOM 57 ND1 HIS A 334 82.409 -2.697 -8.793 1.00 0.00 N ATOM 58 CD2 HIS A 334 81.531 -3.620 -10.616 1.00 0.00 C ATOM 59 CE1 HIS A 334 82.977 -2.175 -9.864 1.00 0.00 C ATOM 60 NE2 HIS A 334 82.478 -2.702 -10.992 1.00 0.00 N ATOM 0 HA HIS A 334 81.517 -6.357 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 334 79.643 -3.982 -8.296 1.00 0.00 H new ATOM 0 HB3 HIS A 334 81.053 -4.336 -7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 334 80.931 -4.232 -11.273 1.00 0.00 H new ATOM 0 HE1 HIS A 334 83.747 -1.418 -9.836 1.00 0.00 H new ATOM 0 HE2 HIS A 334 82.750 -2.465 -11.946 1.00 0.00 H new ATOM 68 N ARG A 335 80.119 -7.224 -6.717 1.00 0.00 N ATOM 69 CA ARG A 335 79.308 -7.930 -5.734 1.00 0.00 C ATOM 70 C ARG A 335 79.455 -7.293 -4.357 1.00 0.00 C ATOM 71 O ARG A 335 80.547 -7.248 -3.791 1.00 0.00 O ATOM 72 CB ARG A 335 79.700 -9.409 -5.680 1.00 0.00 C ATOM 73 CG ARG A 335 79.091 -10.168 -4.510 1.00 0.00 C ATOM 74 CD ARG A 335 79.104 -11.669 -4.752 1.00 0.00 C ATOM 75 NE ARG A 335 77.939 -12.328 -4.168 1.00 0.00 N ATOM 76 CZ ARG A 335 76.710 -12.245 -4.672 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.481 -11.534 -5.769 1.00 0.00 N ATOM 78 NH2 ARG A 335 75.706 -12.876 -4.078 1.00 0.00 N ATOM 0 H ARG A 335 81.122 -7.251 -6.534 1.00 0.00 H new ATOM 0 HA ARG A 335 78.264 -7.857 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 335 79.395 -9.889 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 335 80.786 -9.485 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 335 79.645 -9.940 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 335 78.066 -9.833 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 335 79.130 -11.863 -5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 335 80.013 -12.097 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 335 78.075 -12.885 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 335 77.249 -11.047 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 335 75.537 -11.474 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 335 75.876 -13.425 -3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 335 74.764 -12.813 -4.464 1.00 0.00 H new ATOM 92 N PHE A 336 78.344 -6.799 -3.831 1.00 0.00 N ATOM 93 CA PHE A 336 78.314 -6.160 -2.537 1.00 0.00 C ATOM 94 C PHE A 336 77.976 -7.165 -1.437 1.00 0.00 C ATOM 95 O PHE A 336 77.280 -8.151 -1.680 1.00 0.00 O ATOM 96 CB PHE A 336 77.259 -5.064 -2.577 1.00 0.00 C ATOM 97 CG PHE A 336 77.807 -3.668 -2.635 1.00 0.00 C ATOM 98 CD1 PHE A 336 78.695 -3.218 -1.672 1.00 0.00 C ATOM 99 CD2 PHE A 336 77.426 -2.804 -3.648 1.00 0.00 C ATOM 100 CE1 PHE A 336 79.193 -1.930 -1.719 1.00 0.00 C ATOM 101 CE2 PHE A 336 77.921 -1.515 -3.701 1.00 0.00 C ATOM 102 CZ PHE A 336 78.805 -1.077 -2.735 1.00 0.00 C ATOM 0 H PHE A 336 77.437 -6.834 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 336 79.296 -5.742 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 336 76.620 -5.225 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 336 76.626 -5.155 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 336 79.001 -3.881 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 336 76.734 -3.142 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 336 79.885 -1.590 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 336 77.617 -0.851 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 336 79.193 -0.070 -2.773 1.00 0.00 H new ATOM 112 N SER A 337 78.461 -6.906 -0.226 1.00 0.00 N ATOM 113 CA SER A 337 78.188 -7.795 0.906 1.00 0.00 C ATOM 114 C SER A 337 77.646 -7.014 2.103 1.00 0.00 C ATOM 115 O SER A 337 78.233 -6.019 2.518 1.00 0.00 O ATOM 116 CB SER A 337 79.460 -8.545 1.308 1.00 0.00 C ATOM 117 OG SER A 337 79.159 -9.854 1.760 1.00 0.00 O ATOM 0 H SER A 337 79.040 -6.097 -0.001 1.00 0.00 H new ATOM 0 HA SER A 337 77.430 -8.513 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 337 80.139 -8.598 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 337 79.977 -7.995 2.095 1.00 0.00 H new ATOM 0 HG SER A 337 79.988 -10.313 2.009 1.00 0.00 H new ATOM 123 N THR A 338 76.525 -7.469 2.662 1.00 0.00 N ATOM 124 CA THR A 338 75.925 -6.794 3.812 1.00 0.00 C ATOM 125 C THR A 338 76.608 -7.201 5.111 1.00 0.00 C ATOM 126 O THR A 338 76.947 -8.367 5.314 1.00 0.00 O ATOM 127 CB THR A 338 74.426 -7.090 3.908 1.00 0.00 C ATOM 128 OG1 THR A 338 73.760 -6.697 2.722 1.00 0.00 O ATOM 129 CG2 THR A 338 73.750 -6.385 5.073 1.00 0.00 C ATOM 0 H THR A 338 76.018 -8.294 2.341 1.00 0.00 H new ATOM 0 HA THR A 338 76.065 -5.723 3.662 1.00 0.00 H new ATOM 0 HB THR A 338 74.352 -8.166 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 338 72.949 -6.198 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 338 72.689 -6.636 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 338 74.209 -6.705 6.008 1.00 0.00 H new ATOM 0 HG23 THR A 338 73.866 -5.307 4.963 1.00 0.00 H new ATOM 137 N LYS A 339 76.799 -6.224 5.986 1.00 0.00 N ATOM 138 CA LYS A 339 77.434 -6.452 7.273 1.00 0.00 C ATOM 139 C LYS A 339 76.907 -5.467 8.310 1.00 0.00 C ATOM 140 O LYS A 339 76.517 -4.342 7.975 1.00 0.00 O ATOM 141 CB LYS A 339 78.953 -6.318 7.149 1.00 0.00 C ATOM 142 CG LYS A 339 79.654 -7.624 6.816 1.00 0.00 C ATOM 143 CD LYS A 339 81.083 -7.388 6.353 1.00 0.00 C ATOM 144 CE LYS A 339 81.186 -7.405 4.836 1.00 0.00 C ATOM 145 NZ LYS A 339 82.447 -8.047 4.372 1.00 0.00 N ATOM 0 H LYS A 339 76.519 -5.257 5.824 1.00 0.00 H new ATOM 0 HA LYS A 339 77.195 -7.464 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 339 79.183 -5.585 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 339 79.353 -5.929 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 339 79.657 -8.270 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 339 79.100 -8.147 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 339 81.436 -6.429 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 339 81.734 -8.155 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 339 80.332 -7.940 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 339 81.138 -6.384 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 82.479 -8.039 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 83.262 -7.522 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 82.482 -9.029 4.711 1.00 0.00 H new ATOM 159 N SER A 340 76.900 -5.898 9.567 1.00 0.00 N ATOM 160 CA SER A 340 76.428 -5.064 10.665 1.00 0.00 C ATOM 161 C SER A 340 77.396 -5.132 11.841 1.00 0.00 C ATOM 162 O SER A 340 78.431 -5.793 11.764 1.00 0.00 O ATOM 163 CB SER A 340 75.033 -5.509 11.109 1.00 0.00 C ATOM 164 OG SER A 340 75.045 -6.852 11.561 1.00 0.00 O ATOM 0 H SER A 340 77.218 -6.825 9.851 1.00 0.00 H new ATOM 0 HA SER A 340 76.375 -4.033 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 340 74.677 -4.857 11.907 1.00 0.00 H new ATOM 0 HB3 SER A 340 74.334 -5.408 10.279 1.00 0.00 H new ATOM 0 HG SER A 340 74.142 -7.111 11.840 1.00 0.00 H new ATOM 224 N GLN A 344 79.108 1.079 11.740 1.00 0.00 N ATOM 225 CA GLN A 344 78.827 2.511 11.803 1.00 0.00 C ATOM 226 C GLN A 344 77.585 2.863 10.990 1.00 0.00 C ATOM 227 O GLN A 344 76.907 1.985 10.457 1.00 0.00 O ATOM 228 CB GLN A 344 80.031 3.321 11.306 1.00 0.00 C ATOM 229 CG GLN A 344 80.664 4.190 12.381 1.00 0.00 C ATOM 230 CD GLN A 344 79.661 5.098 13.065 1.00 0.00 C ATOM 231 OE1 GLN A 344 79.138 4.773 14.130 1.00 0.00 O ATOM 232 NE2 GLN A 344 79.387 6.244 12.453 1.00 0.00 N ATOM 0 HA GLN A 344 78.638 2.768 12.845 1.00 0.00 H new ATOM 0 HB2 GLN A 344 80.783 2.636 10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 344 79.715 3.955 10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 344 81.137 3.551 13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 344 81.452 4.797 11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 344 79.844 6.473 11.571 1.00 0.00 H new ATOM 0 HE22 GLN A 344 78.719 6.895 12.865 1.00 0.00 H new ATOM 241 N VAL A 345 77.293 4.157 10.907 1.00 0.00 N ATOM 242 CA VAL A 345 76.132 4.639 10.167 1.00 0.00 C ATOM 243 C VAL A 345 76.395 4.641 8.663 1.00 0.00 C ATOM 244 O VAL A 345 77.501 4.946 8.217 1.00 0.00 O ATOM 245 CB VAL A 345 75.739 6.062 10.611 1.00 0.00 C ATOM 246 CG1 VAL A 345 74.375 6.439 10.055 1.00 0.00 C ATOM 247 CG2 VAL A 345 75.751 6.173 12.129 1.00 0.00 C ATOM 0 H VAL A 345 77.847 4.893 11.345 1.00 0.00 H new ATOM 0 HA VAL A 345 75.311 3.956 10.385 1.00 0.00 H new ATOM 0 HB VAL A 345 76.475 6.761 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 345 74.116 7.447 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 345 74.404 6.405 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 345 73.626 5.736 10.420 1.00 0.00 H new ATOM 0 HG21 VAL A 345 75.471 7.185 12.422 1.00 0.00 H new ATOM 0 HG22 VAL A 345 75.040 5.463 12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 345 76.751 5.951 12.502 1.00 0.00 H new ATOM 257 N CYS A 346 75.364 4.297 7.889 1.00 0.00 N ATOM 258 CA CYS A 346 75.454 4.252 6.426 1.00 0.00 C ATOM 259 C CYS A 346 76.330 5.382 5.879 1.00 0.00 C ATOM 260 O CYS A 346 76.320 6.496 6.401 1.00 0.00 O ATOM 261 CB CYS A 346 74.046 4.338 5.827 1.00 0.00 C ATOM 262 SG CYS A 346 73.996 4.372 4.005 1.00 0.00 S ATOM 0 H CYS A 346 74.447 4.043 8.255 1.00 0.00 H new ATOM 0 HA CYS A 346 75.920 3.309 6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 346 73.464 3.486 6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 346 73.558 5.235 6.207 1.00 0.00 H new ATOM 0 HG CYS A 346 75.156 4.023 3.532 1.00 0.00 H new ATOM 267 N ASN A 347 77.089 5.082 4.825 1.00 0.00 N ATOM 268 CA ASN A 347 77.973 6.070 4.209 1.00 0.00 C ATOM 269 C ASN A 347 77.274 6.811 3.071 1.00 0.00 C ATOM 270 O ASN A 347 77.919 7.287 2.137 1.00 0.00 O ATOM 271 CB ASN A 347 79.239 5.397 3.677 1.00 0.00 C ATOM 272 CG ASN A 347 80.422 5.570 4.609 1.00 0.00 C ATOM 273 OD1 ASN A 347 81.415 6.209 4.260 1.00 0.00 O ATOM 274 ND2 ASN A 347 80.323 4.998 5.804 1.00 0.00 N ATOM 0 H ASN A 347 77.109 4.164 4.381 1.00 0.00 H new ATOM 0 HA ASN A 347 78.242 6.793 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 347 79.048 4.334 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 347 79.486 5.814 2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 347 81.088 5.079 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 347 79.482 4.477 6.052 1.00 0.00 H new ATOM 281 N VAL A 348 75.956 6.904 3.158 1.00 0.00 N ATOM 282 CA VAL A 348 75.165 7.585 2.141 1.00 0.00 C ATOM 283 C VAL A 348 74.133 8.509 2.783 1.00 0.00 C ATOM 284 O VAL A 348 74.291 9.730 2.775 1.00 0.00 O ATOM 285 CB VAL A 348 74.449 6.577 1.220 1.00 0.00 C ATOM 286 CG1 VAL A 348 73.828 7.286 0.028 1.00 0.00 C ATOM 287 CG2 VAL A 348 75.415 5.496 0.759 1.00 0.00 C ATOM 0 H VAL A 348 75.408 6.515 3.926 1.00 0.00 H new ATOM 0 HA VAL A 348 75.854 8.180 1.541 1.00 0.00 H new ATOM 0 HB VAL A 348 73.649 6.102 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 348 73.328 6.557 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 348 73.102 8.020 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 348 74.608 7.791 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 348 74.892 4.794 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 348 76.238 5.954 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 348 75.808 4.965 1.626 1.00 0.00 H new ATOM 297 N CYS A 349 73.083 7.921 3.349 1.00 0.00 N ATOM 298 CA CYS A 349 72.035 8.695 4.007 1.00 0.00 C ATOM 299 C CYS A 349 72.349 8.876 5.490 1.00 0.00 C ATOM 300 O CYS A 349 71.875 9.818 6.124 1.00 0.00 O ATOM 301 CB CYS A 349 70.678 8.010 3.839 1.00 0.00 C ATOM 302 SG CYS A 349 70.586 6.350 4.582 1.00 0.00 S ATOM 0 H CYS A 349 72.935 6.912 3.365 1.00 0.00 H new ATOM 0 HA CYS A 349 71.993 9.678 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 349 69.908 8.639 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 349 70.451 7.934 2.776 1.00 0.00 H new ATOM 0 HG CYS A 349 70.478 5.459 3.642 1.00 0.00 H new ATOM 307 N GLN A 350 73.155 7.963 6.033 1.00 0.00 N ATOM 308 CA GLN A 350 73.552 8.002 7.441 1.00 0.00 C ATOM 309 C GLN A 350 72.367 8.297 8.361 1.00 0.00 C ATOM 310 O GLN A 350 71.973 9.450 8.535 1.00 0.00 O ATOM 311 CB GLN A 350 74.659 9.038 7.661 1.00 0.00 C ATOM 312 CG GLN A 350 74.358 10.404 7.064 1.00 0.00 C ATOM 313 CD GLN A 350 75.415 11.435 7.406 1.00 0.00 C ATOM 314 OE1 GLN A 350 76.434 11.116 8.019 1.00 0.00 O ATOM 315 NE2 GLN A 350 75.177 12.680 7.011 1.00 0.00 N ATOM 0 H GLN A 350 73.549 7.179 5.512 1.00 0.00 H new ATOM 0 HA GLN A 350 73.932 7.013 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 350 74.829 9.151 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 350 75.586 8.661 7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 350 74.281 10.314 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 350 73.389 10.749 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 350 74.319 12.899 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 350 75.852 13.417 7.213 1.00 0.00 H new ATOM 324 N LYS A 351 71.812 7.245 8.957 1.00 0.00 N ATOM 325 CA LYS A 351 70.681 7.390 9.866 1.00 0.00 C ATOM 326 C LYS A 351 70.724 6.313 10.954 1.00 0.00 C ATOM 327 O LYS A 351 71.598 5.446 10.947 1.00 0.00 O ATOM 328 CB LYS A 351 69.359 7.359 9.072 1.00 0.00 C ATOM 329 CG LYS A 351 68.425 6.194 9.388 1.00 0.00 C ATOM 330 CD LYS A 351 67.273 6.627 10.282 1.00 0.00 C ATOM 331 CE LYS A 351 65.989 6.811 9.489 1.00 0.00 C ATOM 332 NZ LYS A 351 65.089 5.630 9.605 1.00 0.00 N ATOM 0 H LYS A 351 72.128 6.284 8.826 1.00 0.00 H new ATOM 0 HA LYS A 351 70.744 8.356 10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 351 68.824 8.290 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 351 69.596 7.333 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 351 68.031 5.781 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 351 68.987 5.399 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 351 67.116 5.881 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 351 67.530 7.561 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 351 65.468 7.700 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 351 66.232 6.981 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 65.083 5.108 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 65.430 5.007 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 64.124 5.949 9.826 1.00 0.00 H new ATOM 346 N SER A 352 69.784 6.384 11.890 1.00 0.00 N ATOM 347 CA SER A 352 69.717 5.427 12.993 1.00 0.00 C ATOM 348 C SER A 352 69.611 3.986 12.491 1.00 0.00 C ATOM 349 O SER A 352 68.514 3.446 12.353 1.00 0.00 O ATOM 350 CB SER A 352 68.526 5.748 13.897 1.00 0.00 C ATOM 351 OG SER A 352 68.614 5.046 15.125 1.00 0.00 O ATOM 0 H SER A 352 69.054 7.097 11.908 1.00 0.00 H new ATOM 0 HA SER A 352 70.643 5.516 13.561 1.00 0.00 H new ATOM 0 HB2 SER A 352 68.490 6.820 14.089 1.00 0.00 H new ATOM 0 HB3 SER A 352 67.598 5.484 13.389 1.00 0.00 H new ATOM 0 HG SER A 352 67.842 5.269 15.686 1.00 0.00 H new ATOM 357 N MET A 353 70.761 3.367 12.234 1.00 0.00 N ATOM 358 CA MET A 353 70.806 1.984 11.763 1.00 0.00 C ATOM 359 C MET A 353 72.250 1.519 11.616 1.00 0.00 C ATOM 360 O MET A 353 73.181 2.294 11.835 1.00 0.00 O ATOM 361 CB MET A 353 70.064 1.823 10.429 1.00 0.00 C ATOM 362 CG MET A 353 70.136 3.038 9.516 1.00 0.00 C ATOM 363 SD MET A 353 68.686 3.190 8.452 1.00 0.00 S ATOM 364 CE MET A 353 67.376 3.304 9.669 1.00 0.00 C ATOM 0 H MET A 353 71.677 3.802 12.344 1.00 0.00 H new ATOM 0 HA MET A 353 70.305 1.364 12.507 1.00 0.00 H new ATOM 0 HB2 MET A 353 70.475 0.963 9.901 1.00 0.00 H new ATOM 0 HB3 MET A 353 69.017 1.600 10.635 1.00 0.00 H new ATOM 0 HG2 MET A 353 70.234 3.939 10.122 1.00 0.00 H new ATOM 0 HG3 MET A 353 71.031 2.971 8.898 1.00 0.00 H new ATOM 0 HE1 MET A 353 66.430 3.509 9.167 1.00 0.00 H new ATOM 0 HE2 MET A 353 67.302 2.362 10.213 1.00 0.00 H new ATOM 0 HE3 MET A 353 67.598 4.110 10.368 1.00 0.00 H new ATOM 374 N ILE A 354 72.438 0.277 11.178 1.00 0.00 N ATOM 375 CA ILE A 354 73.737 -0.239 10.931 1.00 0.00 C ATOM 376 C ILE A 354 73.670 -1.111 9.719 1.00 0.00 C ATOM 377 O ILE A 354 73.375 -2.305 9.755 1.00 0.00 O ATOM 378 CB ILE A 354 74.291 -1.031 12.113 1.00 0.00 C ATOM 379 CG1 ILE A 354 75.751 -1.412 11.869 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.449 -2.271 12.386 1.00 0.00 C ATOM 381 CD1 ILE A 354 76.624 -1.263 13.095 1.00 0.00 C ATOM 0 H ILE A 354 71.681 -0.381 10.992 1.00 0.00 H new ATOM 0 HA ILE A 354 74.415 0.600 10.775 1.00 0.00 H new ATOM 0 HB ILE A 354 74.245 -0.394 12.996 1.00 0.00 H new ATOM 0 HG12 ILE A 354 75.796 -2.445 11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 354 76.152 -0.790 11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 354 73.867 -2.815 13.233 1.00 0.00 H new ATOM 0 HG22 ILE A 354 72.426 -1.973 12.616 1.00 0.00 H new ATOM 0 HG23 ILE A 354 73.451 -2.913 11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 354 77.647 -1.550 12.851 1.00 0.00 H new ATOM 0 HD12 ILE A 354 76.608 -0.226 13.429 1.00 0.00 H new ATOM 0 HD13 ILE A 354 76.247 -1.906 13.890 1.00 0.00 H new ATOM 393 N PHE A 355 73.971 -0.465 8.671 1.00 0.00 N ATOM 394 CA PHE A 355 74.007 -1.067 7.350 1.00 0.00 C ATOM 395 C PHE A 355 75.259 -0.642 6.599 1.00 0.00 C ATOM 396 O PHE A 355 75.494 0.550 6.397 1.00 0.00 O ATOM 397 CB PHE A 355 72.759 -0.679 6.556 1.00 0.00 C ATOM 398 CG PHE A 355 71.688 -1.732 6.568 1.00 0.00 C ATOM 399 CD1 PHE A 355 71.991 -3.050 6.266 1.00 0.00 C ATOM 400 CD2 PHE A 355 70.379 -1.404 6.881 1.00 0.00 C ATOM 401 CE1 PHE A 355 71.008 -4.022 6.277 1.00 0.00 C ATOM 402 CE2 PHE A 355 69.392 -2.371 6.892 1.00 0.00 C ATOM 403 CZ PHE A 355 69.707 -3.681 6.590 1.00 0.00 C ATOM 0 H PHE A 355 74.211 0.526 8.676 1.00 0.00 H new ATOM 0 HA PHE A 355 74.027 -2.150 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 355 72.352 0.246 6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 355 73.044 -0.474 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 355 73.007 -3.321 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 355 70.127 -0.381 7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 355 71.257 -5.046 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 355 68.375 -2.102 7.137 1.00 0.00 H new ATOM 0 HZ PHE A 355 68.937 -4.438 6.599 1.00 0.00 H new ATOM 413 N GLY A 356 76.052 -1.614 6.172 1.00 0.00 N ATOM 414 CA GLY A 356 77.256 -1.297 5.432 1.00 0.00 C ATOM 415 C GLY A 356 77.606 -2.360 4.429 1.00 0.00 C ATOM 416 O GLY A 356 77.913 -3.493 4.785 1.00 0.00 O ATOM 0 H GLY A 356 75.885 -2.609 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 356 77.124 -0.345 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 356 78.085 -1.171 6.128 1.00 0.00 H new ATOM 420 N VAL A 357 77.571 -1.984 3.171 1.00 0.00 N ATOM 421 CA VAL A 357 77.892 -2.902 2.093 1.00 0.00 C ATOM 422 C VAL A 357 79.279 -2.616 1.545 1.00 0.00 C ATOM 423 O VAL A 357 79.648 -1.465 1.328 1.00 0.00 O ATOM 424 CB VAL A 357 76.855 -2.839 0.948 1.00 0.00 C ATOM 425 CG1 VAL A 357 75.462 -3.143 1.476 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.883 -1.484 0.250 1.00 0.00 C ATOM 0 H VAL A 357 77.322 -1.044 2.864 1.00 0.00 H new ATOM 0 HA VAL A 357 77.867 -3.908 2.512 1.00 0.00 H new ATOM 0 HB VAL A 357 77.121 -3.597 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 357 74.744 -3.094 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 357 75.448 -4.142 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 357 75.194 -2.411 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 357 76.143 -1.471 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.652 -0.699 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 357 77.874 -1.311 -0.170 1.00 0.00 H new ATOM 436 N LYS A 358 80.049 -3.670 1.333 1.00 0.00 N ATOM 437 CA LYS A 358 81.396 -3.525 0.823 1.00 0.00 C ATOM 438 C LYS A 358 81.448 -3.864 -0.656 1.00 0.00 C ATOM 439 O LYS A 358 81.012 -4.940 -1.076 1.00 0.00 O ATOM 440 CB LYS A 358 82.360 -4.423 1.600 1.00 0.00 C ATOM 441 CG LYS A 358 83.817 -4.234 1.210 1.00 0.00 C ATOM 442 CD LYS A 358 84.638 -5.480 1.500 1.00 0.00 C ATOM 443 CE LYS A 358 85.740 -5.673 0.470 1.00 0.00 C ATOM 444 NZ LYS A 358 85.205 -6.159 -0.832 1.00 0.00 N ATOM 0 H LYS A 358 79.762 -4.633 1.507 1.00 0.00 H new ATOM 0 HA LYS A 358 81.699 -2.486 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 358 82.249 -4.224 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 358 82.082 -5.465 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 358 83.882 -3.993 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 358 84.234 -3.387 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 358 85.077 -5.404 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 358 83.986 -6.354 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 358 86.264 -4.729 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 358 86.472 -6.386 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 85.995 -6.423 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 84.599 -6.989 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 84.647 -5.405 -1.281 1.00 0.00 H new ATOM 458 N CYS A 359 81.989 -2.934 -1.433 1.00 0.00 N ATOM 459 CA CYS A 359 82.126 -3.109 -2.868 1.00 0.00 C ATOM 460 C CYS A 359 83.598 -3.301 -3.203 1.00 0.00 C ATOM 461 O CYS A 359 84.391 -2.377 -3.088 1.00 0.00 O ATOM 462 CB CYS A 359 81.521 -1.901 -3.609 1.00 0.00 C ATOM 463 SG CYS A 359 82.615 -1.074 -4.815 1.00 0.00 S ATOM 0 H CYS A 359 82.343 -2.043 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 359 81.580 -3.994 -3.195 1.00 0.00 H new ATOM 0 HB2 CYS A 359 80.623 -2.232 -4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 359 81.207 -1.165 -2.868 1.00 0.00 H new ATOM 0 HG CYS A 359 81.899 -0.361 -5.632 1.00 0.00 H new ATOM 468 N LYS A 360 83.955 -4.521 -3.566 1.00 0.00 N ATOM 469 CA LYS A 360 85.322 -4.882 -3.874 1.00 0.00 C ATOM 470 C LYS A 360 85.966 -3.965 -4.936 1.00 0.00 C ATOM 471 O LYS A 360 86.710 -3.043 -4.602 1.00 0.00 O ATOM 472 CB LYS A 360 85.365 -6.340 -4.347 1.00 0.00 C ATOM 473 CG LYS A 360 84.085 -7.146 -4.129 1.00 0.00 C ATOM 474 CD LYS A 360 83.187 -7.135 -5.363 1.00 0.00 C ATOM 475 CE LYS A 360 82.827 -5.722 -5.816 1.00 0.00 C ATOM 476 NZ LYS A 360 81.590 -5.216 -5.158 1.00 0.00 N ATOM 0 H LYS A 360 83.295 -5.294 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 360 85.904 -4.757 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 360 85.602 -6.351 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 360 86.183 -6.845 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 360 84.343 -8.175 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 360 83.539 -6.737 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 360 83.689 -7.657 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 360 82.272 -7.687 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 360 83.655 -5.049 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 360 82.690 -5.713 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 81.700 -4.204 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 80.779 -5.348 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 81.426 -5.741 -4.276 1.00 0.00 H new ATOM 490 N HIS A 361 85.700 -4.263 -6.212 1.00 0.00 N ATOM 491 CA HIS A 361 86.257 -3.531 -7.358 1.00 0.00 C ATOM 492 C HIS A 361 86.540 -2.052 -7.085 1.00 0.00 C ATOM 493 O HIS A 361 87.523 -1.508 -7.589 1.00 0.00 O ATOM 494 CB HIS A 361 85.314 -3.656 -8.555 1.00 0.00 C ATOM 495 CG HIS A 361 85.720 -4.720 -9.527 1.00 0.00 C ATOM 496 ND1 HIS A 361 86.154 -5.970 -9.137 1.00 0.00 N ATOM 497 CD2 HIS A 361 85.756 -4.717 -10.881 1.00 0.00 C ATOM 498 CE1 HIS A 361 86.440 -6.689 -10.209 1.00 0.00 C ATOM 499 NE2 HIS A 361 86.206 -5.952 -11.279 1.00 0.00 N ATOM 0 H HIS A 361 85.084 -5.029 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 361 87.223 -3.991 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 361 84.308 -3.870 -8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 361 85.270 -2.699 -9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 361 85.482 -3.896 -11.527 1.00 0.00 H new ATOM 0 HE1 HIS A 361 86.803 -7.706 -10.209 1.00 0.00 H new ATOM 0 HE2 HIS A 361 86.338 -6.251 -12.245 1.00 0.00 H new ATOM 508 N CYS A 362 85.684 -1.393 -6.316 1.00 0.00 N ATOM 509 CA CYS A 362 85.877 0.030 -6.033 1.00 0.00 C ATOM 510 C CYS A 362 86.272 0.256 -4.580 1.00 0.00 C ATOM 511 O CYS A 362 86.937 1.237 -4.249 1.00 0.00 O ATOM 512 CB CYS A 362 84.607 0.827 -6.357 1.00 0.00 C ATOM 513 SG CYS A 362 83.518 0.057 -7.607 1.00 0.00 S ATOM 0 H CYS A 362 84.860 -1.809 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 362 86.688 0.382 -6.670 1.00 0.00 H new ATOM 0 HB2 CYS A 362 84.039 0.968 -5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 362 84.896 1.818 -6.708 1.00 0.00 H new ATOM 0 HG CYS A 362 82.677 -0.740 -7.018 1.00 0.00 H new ATOM 518 N ARG A 363 85.857 -0.661 -3.723 1.00 0.00 N ATOM 519 CA ARG A 363 86.154 -0.583 -2.300 1.00 0.00 C ATOM 520 C ARG A 363 85.425 0.594 -1.654 1.00 0.00 C ATOM 521 O ARG A 363 86.028 1.632 -1.378 1.00 0.00 O ATOM 522 CB ARG A 363 87.662 -0.458 -2.071 1.00 0.00 C ATOM 523 CG ARG A 363 88.147 -1.159 -0.813 1.00 0.00 C ATOM 524 CD ARG A 363 87.416 -0.657 0.422 1.00 0.00 C ATOM 525 NE ARG A 363 87.741 0.735 0.722 1.00 0.00 N ATOM 526 CZ ARG A 363 87.469 1.326 1.884 1.00 0.00 C ATOM 527 NH1 ARG A 363 86.868 0.651 2.855 1.00 0.00 N ATOM 528 NH2 ARG A 363 87.800 2.596 2.074 1.00 0.00 N ATOM 0 H ARG A 363 85.307 -1.477 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 363 85.803 -1.503 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 363 88.187 -0.871 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 363 87.926 0.598 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 363 87.997 -2.234 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 363 89.218 -0.996 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 363 86.341 -0.754 0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 363 87.676 -1.282 1.276 1.00 0.00 H new ATOM 0 HE ARG A 363 88.203 1.287 -0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 363 86.612 -0.326 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 363 86.662 1.109 3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 363 88.262 3.119 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 363 87.592 3.050 2.964 1.00 0.00 H new ATOM 542 N LEU A 364 84.125 0.430 -1.423 1.00 0.00 N ATOM 543 CA LEU A 364 83.316 1.490 -0.816 1.00 0.00 C ATOM 544 C LEU A 364 82.350 0.929 0.228 1.00 0.00 C ATOM 545 O LEU A 364 82.208 -0.285 0.367 1.00 0.00 O ATOM 546 CB LEU A 364 82.531 2.236 -1.898 1.00 0.00 C ATOM 547 CG LEU A 364 82.278 3.721 -1.616 1.00 0.00 C ATOM 548 CD1 LEU A 364 83.173 4.591 -2.485 1.00 0.00 C ATOM 549 CD2 LEU A 364 80.813 4.066 -1.845 1.00 0.00 C ATOM 0 H LEU A 364 83.609 -0.421 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 364 83.994 2.180 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 364 83.071 2.149 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 364 81.570 1.740 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 364 82.519 3.917 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 364 82.978 5.642 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 364 84.218 4.365 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 364 82.965 4.391 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 364 80.652 5.124 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 364 80.546 3.852 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 364 80.190 3.469 -1.179 1.00 0.00 H new ATOM 561 N LYS A 365 81.681 1.824 0.956 1.00 0.00 N ATOM 562 CA LYS A 365 80.723 1.418 1.978 1.00 0.00 C ATOM 563 C LYS A 365 79.397 2.147 1.780 1.00 0.00 C ATOM 564 O LYS A 365 79.369 3.367 1.619 1.00 0.00 O ATOM 565 CB LYS A 365 81.277 1.708 3.374 1.00 0.00 C ATOM 566 CG LYS A 365 80.332 1.316 4.498 1.00 0.00 C ATOM 567 CD LYS A 365 80.798 0.053 5.206 1.00 0.00 C ATOM 568 CE LYS A 365 80.868 -1.128 4.251 1.00 0.00 C ATOM 569 NZ LYS A 365 81.524 -2.309 4.876 1.00 0.00 N ATOM 0 H LYS A 365 81.787 2.833 0.855 1.00 0.00 H new ATOM 0 HA LYS A 365 80.553 0.345 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.219 1.174 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.501 2.772 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 365 80.262 2.132 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 365 79.331 1.160 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.780 0.224 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 365 80.116 -0.179 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 365 79.861 -1.398 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 365 81.418 -0.839 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 81.331 -3.156 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 82.551 -2.151 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 81.149 -2.446 5.836 1.00 0.00 H new ATOM 583 N CYS A 366 78.299 1.394 1.781 1.00 0.00 N ATOM 584 CA CYS A 366 76.969 1.975 1.592 1.00 0.00 C ATOM 585 C CYS A 366 75.890 1.088 2.206 1.00 0.00 C ATOM 586 O CYS A 366 76.111 -0.092 2.461 1.00 0.00 O ATOM 587 CB CYS A 366 76.656 2.194 0.103 1.00 0.00 C ATOM 588 SG CYS A 366 78.095 2.507 -0.952 1.00 0.00 S ATOM 0 H CYS A 366 78.302 0.382 1.910 1.00 0.00 H new ATOM 0 HA CYS A 366 76.971 2.941 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 366 76.133 1.315 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 366 75.970 3.036 0.013 1.00 0.00 H new ATOM 0 HG CYS A 366 78.951 3.245 -0.310 1.00 0.00 H new ATOM 594 N HIS A 367 74.719 1.671 2.433 1.00 0.00 N ATOM 595 CA HIS A 367 73.586 0.945 3.007 1.00 0.00 C ATOM 596 C HIS A 367 73.372 -0.387 2.296 1.00 0.00 C ATOM 597 O HIS A 367 74.028 -0.679 1.299 1.00 0.00 O ATOM 598 CB HIS A 367 72.319 1.790 2.879 1.00 0.00 C ATOM 599 CG HIS A 367 71.700 2.156 4.186 1.00 0.00 C ATOM 600 ND1 HIS A 367 71.638 3.460 4.594 1.00 0.00 N ATOM 601 CD2 HIS A 367 71.131 1.366 5.125 1.00 0.00 C ATOM 602 CE1 HIS A 367 71.035 3.443 5.769 1.00 0.00 C ATOM 603 NE2 HIS A 367 70.709 2.192 6.135 1.00 0.00 N ATOM 0 H HIS A 367 74.526 2.651 2.228 1.00 0.00 H new ATOM 0 HA HIS A 367 73.803 0.749 4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 367 72.557 2.703 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 367 71.588 1.243 2.283 1.00 0.00 H new ATOM 0 HD1 HIS A 367 71.986 4.278 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 367 71.029 0.292 5.087 1.00 0.00 H new ATOM 0 HE1 HIS A 367 70.830 4.323 6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 367 70.239 1.911 6.996 1.00 0.00 H new ATOM 611 N ASN A 368 72.427 -1.182 2.795 1.00 0.00 N ATOM 612 CA ASN A 368 72.117 -2.467 2.176 1.00 0.00 C ATOM 613 C ASN A 368 71.927 -2.286 0.672 1.00 0.00 C ATOM 614 O ASN A 368 72.177 -3.198 -0.116 1.00 0.00 O ATOM 615 CB ASN A 368 70.855 -3.069 2.797 1.00 0.00 C ATOM 616 CG ASN A 368 70.872 -4.585 2.785 1.00 0.00 C ATOM 617 OD1 ASN A 368 71.465 -5.218 3.659 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.219 -5.177 1.791 1.00 0.00 N ATOM 0 H ASN A 368 71.868 -0.961 3.619 1.00 0.00 H new ATOM 0 HA ASN A 368 72.948 -3.150 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.755 -2.718 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 368 69.980 -2.714 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 368 70.196 -6.195 1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 368 69.741 -4.614 1.088 1.00 0.00 H new ATOM 625 N LYS A 369 71.496 -1.086 0.290 1.00 0.00 N ATOM 626 CA LYS A 369 71.283 -0.747 -1.108 1.00 0.00 C ATOM 627 C LYS A 369 71.549 0.739 -1.336 1.00 0.00 C ATOM 628 O LYS A 369 72.592 1.117 -1.870 1.00 0.00 O ATOM 629 CB LYS A 369 69.855 -1.101 -1.532 1.00 0.00 C ATOM 630 CG LYS A 369 69.743 -2.449 -2.226 1.00 0.00 C ATOM 631 CD LYS A 369 70.702 -2.552 -3.401 1.00 0.00 C ATOM 632 CE LYS A 369 70.050 -3.228 -4.596 1.00 0.00 C ATOM 633 NZ LYS A 369 71.052 -3.632 -5.622 1.00 0.00 N ATOM 0 H LYS A 369 71.287 -0.328 0.939 1.00 0.00 H new ATOM 0 HA LYS A 369 71.978 -1.325 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 369 69.213 -1.101 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 369 69.480 -0.325 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 369 69.954 -3.245 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 369 68.721 -2.596 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 369 71.039 -1.555 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 369 71.586 -3.114 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 369 69.500 -4.107 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 369 69.324 -2.550 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 70.567 -4.089 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 71.560 -2.790 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 71.730 -4.299 -5.201 1.00 0.00 H new ATOM 647 N CYS A 370 70.599 1.576 -0.916 1.00 0.00 N ATOM 648 CA CYS A 370 70.715 3.032 -1.057 1.00 0.00 C ATOM 649 C CYS A 370 71.343 3.421 -2.396 1.00 0.00 C ATOM 650 O CYS A 370 72.035 4.433 -2.498 1.00 0.00 O ATOM 651 CB CYS A 370 71.543 3.608 0.093 1.00 0.00 C ATOM 652 SG CYS A 370 70.550 4.188 1.511 1.00 0.00 S ATOM 0 H CYS A 370 69.734 1.269 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 370 69.708 3.449 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 370 72.242 2.847 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 370 72.139 4.439 -0.284 1.00 0.00 H new ATOM 0 HG CYS A 370 69.819 5.199 1.144 1.00 0.00 H new ATOM 657 N THR A 371 71.096 2.607 -3.415 1.00 0.00 N ATOM 658 CA THR A 371 71.636 2.858 -4.747 1.00 0.00 C ATOM 659 C THR A 371 71.174 4.210 -5.281 1.00 0.00 C ATOM 660 O THR A 371 71.889 4.866 -6.038 1.00 0.00 O ATOM 661 CB THR A 371 71.213 1.747 -5.708 1.00 0.00 C ATOM 662 OG1 THR A 371 69.857 1.393 -5.500 1.00 0.00 O ATOM 663 CG2 THR A 371 72.042 0.488 -5.570 1.00 0.00 C ATOM 0 H THR A 371 70.524 1.765 -3.345 1.00 0.00 H new ATOM 0 HA THR A 371 72.723 2.872 -4.672 1.00 0.00 H new ATOM 0 HB THR A 371 71.366 2.156 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 371 69.605 0.682 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 371 71.689 -0.260 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 371 73.088 0.717 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 371 71.946 0.099 -4.556 1.00 0.00 H new ATOM 671 N LYS A 372 69.974 4.619 -4.884 1.00 0.00 N ATOM 672 CA LYS A 372 69.416 5.892 -5.327 1.00 0.00 C ATOM 673 C LYS A 372 70.256 7.067 -4.833 1.00 0.00 C ATOM 674 O LYS A 372 70.210 8.156 -5.405 1.00 0.00 O ATOM 675 CB LYS A 372 67.975 6.039 -4.834 1.00 0.00 C ATOM 676 CG LYS A 372 67.795 5.681 -3.367 1.00 0.00 C ATOM 677 CD LYS A 372 67.075 4.352 -3.199 1.00 0.00 C ATOM 678 CE LYS A 372 67.111 3.878 -1.755 1.00 0.00 C ATOM 679 NZ LYS A 372 67.249 2.399 -1.660 1.00 0.00 N ATOM 0 H LYS A 372 69.369 4.088 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 372 69.426 5.900 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 372 67.649 7.067 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 372 67.327 5.403 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 372 68.770 5.631 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 372 67.230 6.467 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 372 66.040 4.454 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 372 67.538 3.602 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 372 67.943 4.354 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 372 66.199 4.191 -1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 67.270 2.116 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 66.442 1.944 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 68.132 2.102 -2.122 1.00 0.00 H new ATOM 693 N GLU A 373 71.021 6.844 -3.767 1.00 0.00 N ATOM 694 CA GLU A 373 71.864 7.892 -3.202 1.00 0.00 C ATOM 695 C GLU A 373 73.344 7.557 -3.370 1.00 0.00 C ATOM 696 O GLU A 373 74.122 8.373 -3.865 1.00 0.00 O ATOM 697 CB GLU A 373 71.540 8.093 -1.721 1.00 0.00 C ATOM 698 CG GLU A 373 70.165 8.694 -1.476 1.00 0.00 C ATOM 699 CD GLU A 373 69.194 7.704 -0.862 1.00 0.00 C ATOM 700 OE1 GLU A 373 69.455 6.485 -0.950 1.00 0.00 O ATOM 701 OE2 GLU A 373 68.174 8.147 -0.294 1.00 0.00 O ATOM 0 H GLU A 373 71.074 5.950 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 373 71.658 8.816 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 373 71.604 7.132 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 373 72.295 8.741 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 373 70.262 9.557 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 373 69.759 9.058 -2.420 1.00 0.00 H new ATOM 708 N ALA A 374 73.727 6.354 -2.952 1.00 0.00 N ATOM 709 CA ALA A 374 75.115 5.915 -3.054 1.00 0.00 C ATOM 710 C ALA A 374 75.617 5.998 -4.493 1.00 0.00 C ATOM 711 O ALA A 374 74.835 5.903 -5.439 1.00 0.00 O ATOM 712 CB ALA A 374 75.259 4.495 -2.525 1.00 0.00 C ATOM 0 H ALA A 374 73.096 5.666 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 374 75.725 6.583 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 374 76.299 4.180 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 374 74.951 4.463 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 374 74.629 3.824 -3.109 1.00 0.00 H new ATOM 718 N PRO A 375 76.937 6.179 -4.678 1.00 0.00 N ATOM 719 CA PRO A 375 77.540 6.275 -6.010 1.00 0.00 C ATOM 720 C PRO A 375 77.605 4.925 -6.716 1.00 0.00 C ATOM 721 O PRO A 375 77.662 3.878 -6.072 1.00 0.00 O ATOM 722 CB PRO A 375 78.948 6.796 -5.720 1.00 0.00 C ATOM 723 CG PRO A 375 79.253 6.311 -4.345 1.00 0.00 C ATOM 724 CD PRO A 375 77.942 6.304 -3.604 1.00 0.00 C ATOM 0 HA PRO A 375 76.961 6.915 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 375 79.668 6.415 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 375 78.987 7.884 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 375 79.691 5.313 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 375 79.975 6.963 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 375 77.883 5.473 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 375 77.802 7.219 -3.028 1.00 0.00 H new ATOM 732 N ALA A 376 77.597 4.958 -8.045 1.00 0.00 N ATOM 733 CA ALA A 376 77.655 3.737 -8.839 1.00 0.00 C ATOM 734 C ALA A 376 78.980 3.011 -8.632 1.00 0.00 C ATOM 735 O ALA A 376 80.006 3.636 -8.364 1.00 0.00 O ATOM 736 CB ALA A 376 77.451 4.056 -10.312 1.00 0.00 C ATOM 0 H ALA A 376 77.551 5.817 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 376 76.853 3.078 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 376 77.497 3.135 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 376 76.477 4.525 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 376 78.233 4.737 -10.649 1.00 0.00 H new ATOM 742 N CYS A 377 78.951 1.688 -8.758 1.00 0.00 N ATOM 743 CA CYS A 377 80.150 0.877 -8.585 1.00 0.00 C ATOM 744 C CYS A 377 80.960 0.823 -9.877 1.00 0.00 C ATOM 745 O CYS A 377 80.810 -0.101 -10.676 1.00 0.00 O ATOM 746 CB CYS A 377 79.771 -0.537 -8.139 1.00 0.00 C ATOM 747 SG CYS A 377 80.487 -1.029 -6.537 1.00 0.00 S ATOM 0 H CYS A 377 78.110 1.155 -8.979 1.00 0.00 H new ATOM 0 HA CYS A 377 80.767 1.338 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 377 78.685 -0.608 -8.077 1.00 0.00 H new ATOM 0 HB3 CYS A 377 80.093 -1.246 -8.902 1.00 0.00 H new ATOM 0 HG CYS A 377 81.397 -1.938 -6.729 1.00 0.00 H new