USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=19 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 369 LYS NZ :NH3+ 178:sc= -1.33! (180deg=-1!) USER MOD Set 1.2: A 371 THR OG1 : rot -120:sc= -0.855 USER MOD Set 2.1: A 334 HIS : no HE2:sc= -5.82! C(o=-15!,f=-19!) USER MOD Set 2.2: A 359 CYS SG : rot 139:sc= -4.27! USER MOD Set 2.3: A 362 CYS SG : rot 132:sc= -1.38! USER MOD Set 2.4: A 377 CYS SG : rot 156:sc= -3.44! USER MOD Set 3.1: A 346 CYS SG : rot 177:sc= -2.73! USER MOD Set 3.2: A 349 CYS SG : rot -98:sc= -2.73! USER MOD Set 3.3: A 367 HIS : no HE2:sc= -13.1! C(o=-20!,f=-43!) USER MOD Set 3.4: A 370 CYS SG : rot -90:sc= -1.05! USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ -159:sc= -0.605 (180deg=-1.26) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 ASN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 353 MET CE :methyl 178:sc= -0.841 (180deg=-0.86) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ -179:sc= -1.34 (180deg=-1.4) USER MOD Single : A 361 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0159) USER MOD Single : A 366 CYS SG : rot -34:sc= -0.938! USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 74.641 3.746 -9.567 1.00 0.00 N ATOM 52 CA HIS A 334 73.718 3.002 -8.718 1.00 0.00 C ATOM 53 C HIS A 334 73.316 3.836 -7.506 1.00 0.00 C ATOM 54 O HIS A 334 74.082 4.681 -7.041 1.00 0.00 O ATOM 55 CB HIS A 334 74.352 1.680 -8.275 1.00 0.00 C ATOM 56 CG HIS A 334 75.017 0.936 -9.394 1.00 0.00 C ATOM 57 ND1 HIS A 334 75.719 -0.227 -9.172 1.00 0.00 N ATOM 58 CD2 HIS A 334 75.067 1.237 -10.715 1.00 0.00 C ATOM 59 CE1 HIS A 334 76.176 -0.600 -10.355 1.00 0.00 C ATOM 60 NE2 HIS A 334 75.807 0.255 -11.319 1.00 0.00 N ATOM 0 HA HIS A 334 72.819 2.780 -9.293 1.00 0.00 H new ATOM 0 HB2 HIS A 334 75.086 1.881 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 334 73.583 1.046 -7.833 1.00 0.00 H new ATOM 0 HD1 HIS A 334 75.858 -0.702 -8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 334 74.611 2.088 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 334 76.773 -1.484 -10.524 1.00 0.00 H new ATOM 68 N ARG A 335 72.107 3.607 -7.005 1.00 0.00 N ATOM 69 CA ARG A 335 71.604 4.352 -5.856 1.00 0.00 C ATOM 70 C ARG A 335 71.865 3.608 -4.550 1.00 0.00 C ATOM 71 O ARG A 335 71.343 2.515 -4.329 1.00 0.00 O ATOM 72 CB ARG A 335 70.106 4.617 -6.011 1.00 0.00 C ATOM 73 CG ARG A 335 69.713 5.095 -7.399 1.00 0.00 C ATOM 74 CD ARG A 335 68.562 6.086 -7.342 1.00 0.00 C ATOM 75 NE ARG A 335 69.029 7.458 -7.158 1.00 0.00 N ATOM 76 CZ ARG A 335 69.704 8.141 -8.080 1.00 0.00 C ATOM 77 NH1 ARG A 335 69.992 7.584 -9.249 1.00 0.00 N ATOM 78 NH2 ARG A 335 70.091 9.385 -7.831 1.00 0.00 N ATOM 0 H ARG A 335 71.458 2.913 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 335 72.138 5.302 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 335 69.558 3.703 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 335 69.800 5.364 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 335 70.572 5.561 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 335 69.428 4.240 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 335 67.982 6.021 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 335 67.893 5.818 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 335 68.826 7.920 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 335 69.696 6.628 -9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 335 70.509 8.112 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 335 69.871 9.817 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 335 70.608 9.909 -8.537 1.00 0.00 H new ATOM 92 N PHE A 336 72.674 4.214 -3.688 1.00 0.00 N ATOM 93 CA PHE A 336 73.012 3.642 -2.409 1.00 0.00 C ATOM 94 C PHE A 336 72.137 4.231 -1.302 1.00 0.00 C ATOM 95 O PHE A 336 71.692 5.375 -1.395 1.00 0.00 O ATOM 96 CB PHE A 336 74.477 3.944 -2.124 1.00 0.00 C ATOM 97 CG PHE A 336 75.400 2.764 -2.254 1.00 0.00 C ATOM 98 CD1 PHE A 336 75.131 1.578 -1.591 1.00 0.00 C ATOM 99 CD2 PHE A 336 76.544 2.848 -3.032 1.00 0.00 C ATOM 100 CE1 PHE A 336 75.986 0.497 -1.701 1.00 0.00 C ATOM 101 CE2 PHE A 336 77.402 1.771 -3.147 1.00 0.00 C ATOM 102 CZ PHE A 336 77.123 0.594 -2.480 1.00 0.00 C ATOM 0 H PHE A 336 73.110 5.119 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 336 72.841 2.566 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 336 74.812 4.726 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 336 74.561 4.344 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 336 74.243 1.497 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 336 76.767 3.766 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 336 75.765 -0.422 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 336 78.289 1.849 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 336 77.792 -0.249 -2.567 1.00 0.00 H new ATOM 112 N SER A 337 71.901 3.450 -0.254 1.00 0.00 N ATOM 113 CA SER A 337 71.087 3.909 0.872 1.00 0.00 C ATOM 114 C SER A 337 71.729 3.523 2.203 1.00 0.00 C ATOM 115 O SER A 337 72.088 2.367 2.412 1.00 0.00 O ATOM 116 CB SER A 337 69.678 3.319 0.783 1.00 0.00 C ATOM 117 OG SER A 337 69.280 3.149 -0.567 1.00 0.00 O ATOM 0 H SER A 337 72.259 2.500 -0.158 1.00 0.00 H new ATOM 0 HA SER A 337 71.023 4.996 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 337 69.650 2.358 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 337 68.973 3.975 1.293 1.00 0.00 H new ATOM 0 HG SER A 337 68.377 2.769 -0.597 1.00 0.00 H new ATOM 123 N THR A 338 71.873 4.495 3.102 1.00 0.00 N ATOM 124 CA THR A 338 72.479 4.238 4.407 1.00 0.00 C ATOM 125 C THR A 338 71.459 3.696 5.400 1.00 0.00 C ATOM 126 O THR A 338 70.324 4.168 5.470 1.00 0.00 O ATOM 127 CB THR A 338 73.120 5.507 4.970 1.00 0.00 C ATOM 128 OG1 THR A 338 74.068 6.037 4.061 1.00 0.00 O ATOM 129 CG2 THR A 338 73.827 5.279 6.293 1.00 0.00 C ATOM 0 H THR A 338 71.581 5.461 2.953 1.00 0.00 H new ATOM 0 HA THR A 338 73.251 3.483 4.259 1.00 0.00 H new ATOM 0 HB THR A 338 72.297 6.204 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 338 74.465 6.849 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 338 74.261 6.217 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 338 73.111 4.916 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 338 74.618 4.541 6.160 1.00 0.00 H new ATOM 137 N LYS A 339 71.882 2.700 6.167 1.00 0.00 N ATOM 138 CA LYS A 339 71.032 2.074 7.167 1.00 0.00 C ATOM 139 C LYS A 339 71.872 1.531 8.319 1.00 0.00 C ATOM 140 O LYS A 339 73.048 1.199 8.143 1.00 0.00 O ATOM 141 CB LYS A 339 70.212 0.945 6.539 1.00 0.00 C ATOM 142 CG LYS A 339 69.032 0.505 7.389 1.00 0.00 C ATOM 143 CD LYS A 339 68.435 -0.798 6.881 1.00 0.00 C ATOM 144 CE LYS A 339 69.062 -2.002 7.566 1.00 0.00 C ATOM 145 NZ LYS A 339 70.468 -2.220 7.128 1.00 0.00 N ATOM 0 H LYS A 339 72.821 2.305 6.113 1.00 0.00 H new ATOM 0 HA LYS A 339 70.350 2.829 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 339 69.846 1.271 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 339 70.863 0.088 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 339 69.353 0.381 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 339 68.268 1.283 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 339 67.359 -0.799 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 339 68.584 -0.872 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 339 69.036 -1.859 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 339 68.472 -2.892 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 70.742 -3.205 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 70.548 -2.029 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 71.098 -1.578 7.651 1.00 0.00 H new ATOM 159 N SER A 340 71.258 1.441 9.494 1.00 0.00 N ATOM 160 CA SER A 340 71.938 0.935 10.681 1.00 0.00 C ATOM 161 C SER A 340 71.151 -0.227 11.290 1.00 0.00 C ATOM 162 O SER A 340 70.371 -0.882 10.598 1.00 0.00 O ATOM 163 CB SER A 340 72.109 2.059 11.707 1.00 0.00 C ATOM 164 OG SER A 340 73.189 1.789 12.584 1.00 0.00 O ATOM 0 H SER A 340 70.287 1.713 9.650 1.00 0.00 H new ATOM 0 HA SER A 340 72.924 0.570 10.393 1.00 0.00 H new ATOM 0 HB2 SER A 340 72.283 3.003 11.191 1.00 0.00 H new ATOM 0 HB3 SER A 340 71.190 2.174 12.282 1.00 0.00 H new ATOM 0 HG SER A 340 73.278 2.522 13.228 1.00 0.00 H new ATOM 224 N GLN A 344 76.642 -5.728 12.316 1.00 0.00 N ATOM 225 CA GLN A 344 77.585 -6.497 11.510 1.00 0.00 C ATOM 226 C GLN A 344 78.809 -5.653 11.159 1.00 0.00 C ATOM 227 O GLN A 344 79.040 -4.602 11.757 1.00 0.00 O ATOM 228 CB GLN A 344 76.907 -6.996 10.233 1.00 0.00 C ATOM 229 CG GLN A 344 77.319 -8.404 9.835 1.00 0.00 C ATOM 230 CD GLN A 344 76.314 -9.451 10.275 1.00 0.00 C ATOM 231 OE1 GLN A 344 75.310 -9.686 9.603 1.00 0.00 O ATOM 232 NE2 GLN A 344 76.581 -10.087 11.410 1.00 0.00 N ATOM 0 HA GLN A 344 77.914 -7.356 12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 344 75.826 -6.968 10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 344 77.142 -6.313 9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 344 77.438 -8.452 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 344 78.291 -8.632 10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 344 77.425 -9.860 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 344 75.942 -10.802 11.756 1.00 0.00 H new ATOM 241 N VAL A 345 79.587 -6.114 10.186 1.00 0.00 N ATOM 242 CA VAL A 345 80.780 -5.394 9.759 1.00 0.00 C ATOM 243 C VAL A 345 80.750 -5.131 8.256 1.00 0.00 C ATOM 244 O VAL A 345 80.311 -5.976 7.475 1.00 0.00 O ATOM 245 CB VAL A 345 82.067 -6.168 10.119 1.00 0.00 C ATOM 246 CG1 VAL A 345 83.299 -5.460 9.572 1.00 0.00 C ATOM 247 CG2 VAL A 345 82.177 -6.344 11.626 1.00 0.00 C ATOM 0 H VAL A 345 79.413 -6.982 9.679 1.00 0.00 H new ATOM 0 HA VAL A 345 80.786 -4.442 10.290 1.00 0.00 H new ATOM 0 HB VAL A 345 82.011 -7.154 9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 345 84.192 -6.025 9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 345 83.226 -5.389 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 345 83.362 -4.459 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 345 83.089 -6.891 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 345 82.206 -5.366 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 345 81.314 -6.901 11.991 1.00 0.00 H new ATOM 257 N CYS A 346 81.223 -3.950 7.863 1.00 0.00 N ATOM 258 CA CYS A 346 81.263 -3.554 6.457 1.00 0.00 C ATOM 259 C CYS A 346 81.730 -4.706 5.566 1.00 0.00 C ATOM 260 O CYS A 346 82.615 -5.475 5.942 1.00 0.00 O ATOM 261 CB CYS A 346 82.187 -2.349 6.288 1.00 0.00 C ATOM 262 SG CYS A 346 82.308 -1.754 4.569 1.00 0.00 S ATOM 0 H CYS A 346 81.587 -3.245 8.505 1.00 0.00 H new ATOM 0 HA CYS A 346 80.253 -3.284 6.149 1.00 0.00 H new ATOM 0 HB2 CYS A 346 81.829 -1.536 6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 346 83.183 -2.614 6.643 1.00 0.00 H new ATOM 0 HG CYS A 346 83.051 -0.688 4.530 1.00 0.00 H new ATOM 267 N ASN A 347 81.119 -4.825 4.390 1.00 0.00 N ATOM 268 CA ASN A 347 81.460 -5.889 3.450 1.00 0.00 C ATOM 269 C ASN A 347 82.470 -5.417 2.407 1.00 0.00 C ATOM 270 O ASN A 347 82.521 -5.944 1.296 1.00 0.00 O ATOM 271 CB ASN A 347 80.201 -6.394 2.749 1.00 0.00 C ATOM 272 CG ASN A 347 79.683 -7.688 3.346 1.00 0.00 C ATOM 273 OD1 ASN A 347 78.560 -7.747 3.848 1.00 0.00 O ATOM 274 ND2 ASN A 347 80.501 -8.732 3.295 1.00 0.00 N ATOM 0 H ASN A 347 80.384 -4.197 4.065 1.00 0.00 H new ATOM 0 HA ASN A 347 81.914 -6.699 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 347 79.424 -5.632 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 347 80.414 -6.546 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 347 80.208 -9.629 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 347 81.423 -8.637 2.869 1.00 0.00 H new ATOM 281 N VAL A 348 83.271 -4.427 2.770 1.00 0.00 N ATOM 282 CA VAL A 348 84.279 -3.889 1.864 1.00 0.00 C ATOM 283 C VAL A 348 85.651 -3.843 2.537 1.00 0.00 C ATOM 284 O VAL A 348 86.465 -4.749 2.361 1.00 0.00 O ATOM 285 CB VAL A 348 83.892 -2.481 1.364 1.00 0.00 C ATOM 286 CG1 VAL A 348 84.966 -1.919 0.442 1.00 0.00 C ATOM 287 CG2 VAL A 348 82.545 -2.520 0.658 1.00 0.00 C ATOM 0 H VAL A 348 83.244 -3.978 3.686 1.00 0.00 H new ATOM 0 HA VAL A 348 84.331 -4.557 1.004 1.00 0.00 H new ATOM 0 HB VAL A 348 83.810 -1.822 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 348 84.671 -0.926 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 348 85.910 -1.852 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 348 85.086 -2.576 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 348 82.287 -1.519 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 348 82.601 -3.196 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 348 81.781 -2.872 1.351 1.00 0.00 H new ATOM 297 N CYS A 349 85.904 -2.788 3.307 1.00 0.00 N ATOM 298 CA CYS A 349 87.179 -2.643 4.000 1.00 0.00 C ATOM 299 C CYS A 349 87.121 -3.263 5.395 1.00 0.00 C ATOM 300 O CYS A 349 88.154 -3.565 5.992 1.00 0.00 O ATOM 301 CB CYS A 349 87.575 -1.167 4.089 1.00 0.00 C ATOM 302 SG CYS A 349 86.329 -0.095 4.875 1.00 0.00 S ATOM 0 H CYS A 349 85.246 -2.025 3.466 1.00 0.00 H new ATOM 0 HA CYS A 349 87.937 -3.175 3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 349 88.508 -1.087 4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 349 87.772 -0.796 3.083 1.00 0.00 H new ATOM 0 HG CYS A 349 85.630 0.504 3.957 1.00 0.00 H new ATOM 307 N GLN A 350 85.907 -3.459 5.907 1.00 0.00 N ATOM 308 CA GLN A 350 85.718 -4.052 7.228 1.00 0.00 C ATOM 309 C GLN A 350 86.349 -3.190 8.317 1.00 0.00 C ATOM 310 O GLN A 350 87.570 -3.163 8.472 1.00 0.00 O ATOM 311 CB GLN A 350 86.315 -5.459 7.267 1.00 0.00 C ATOM 312 CG GLN A 350 85.355 -6.541 6.801 1.00 0.00 C ATOM 313 CD GLN A 350 85.693 -7.905 7.369 1.00 0.00 C ATOM 314 OE1 GLN A 350 84.982 -8.427 8.228 1.00 0.00 O ATOM 315 NE2 GLN A 350 86.785 -8.491 6.891 1.00 0.00 N ATOM 0 H GLN A 350 85.041 -3.216 5.427 1.00 0.00 H new ATOM 0 HA GLN A 350 84.646 -4.110 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 350 87.208 -5.483 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 350 86.633 -5.681 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 350 84.340 -6.271 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 350 85.371 -6.591 5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 350 87.345 -8.022 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 350 87.063 -9.410 7.236 1.00 0.00 H new ATOM 324 N LYS A 351 85.506 -2.492 9.073 1.00 0.00 N ATOM 325 CA LYS A 351 85.978 -1.632 10.153 1.00 0.00 C ATOM 326 C LYS A 351 85.008 -1.658 11.332 1.00 0.00 C ATOM 327 O LYS A 351 83.819 -1.931 11.164 1.00 0.00 O ATOM 328 CB LYS A 351 86.147 -0.196 9.653 1.00 0.00 C ATOM 329 CG LYS A 351 87.281 -0.025 8.657 1.00 0.00 C ATOM 330 CD LYS A 351 88.559 0.435 9.340 1.00 0.00 C ATOM 331 CE LYS A 351 89.385 -0.744 9.829 1.00 0.00 C ATOM 332 NZ LYS A 351 90.682 -0.309 10.416 1.00 0.00 N ATOM 0 H LYS A 351 84.493 -2.505 8.957 1.00 0.00 H new ATOM 0 HA LYS A 351 86.944 -2.010 10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 351 85.216 0.130 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 351 86.324 0.458 10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 351 87.461 -0.970 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 351 86.992 0.701 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 351 89.150 1.031 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 351 88.311 1.081 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 351 88.817 -1.300 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 351 89.573 -1.425 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 91.215 -1.143 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 91.235 0.200 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 90.503 0.320 11.225 1.00 0.00 H new ATOM 346 N SER A 352 85.523 -1.369 12.523 1.00 0.00 N ATOM 347 CA SER A 352 84.702 -1.355 13.730 1.00 0.00 C ATOM 348 C SER A 352 83.661 -0.242 13.662 1.00 0.00 C ATOM 349 O SER A 352 83.868 0.851 14.192 1.00 0.00 O ATOM 350 CB SER A 352 85.582 -1.173 14.968 1.00 0.00 C ATOM 351 OG SER A 352 86.689 -0.334 14.689 1.00 0.00 O ATOM 0 H SER A 352 86.505 -1.141 12.679 1.00 0.00 H new ATOM 0 HA SER A 352 84.183 -2.311 13.801 1.00 0.00 H new ATOM 0 HB2 SER A 352 84.992 -0.744 15.778 1.00 0.00 H new ATOM 0 HB3 SER A 352 85.936 -2.145 15.312 1.00 0.00 H new ATOM 0 HG SER A 352 87.234 -0.233 15.497 1.00 0.00 H new ATOM 357 N MET A 353 82.543 -0.527 13.004 1.00 0.00 N ATOM 358 CA MET A 353 81.464 0.445 12.857 1.00 0.00 C ATOM 359 C MET A 353 80.168 -0.249 12.475 1.00 0.00 C ATOM 360 O MET A 353 80.127 -1.470 12.319 1.00 0.00 O ATOM 361 CB MET A 353 81.798 1.493 11.781 1.00 0.00 C ATOM 362 CG MET A 353 82.902 1.090 10.821 1.00 0.00 C ATOM 363 SD MET A 353 84.045 2.439 10.465 1.00 0.00 S ATOM 364 CE MET A 353 84.805 2.671 12.069 1.00 0.00 C ATOM 0 H MET A 353 82.359 -1.427 12.562 1.00 0.00 H new ATOM 0 HA MET A 353 81.347 0.945 13.819 1.00 0.00 H new ATOM 0 HB2 MET A 353 80.896 1.704 11.207 1.00 0.00 H new ATOM 0 HB3 MET A 353 82.086 2.421 12.275 1.00 0.00 H new ATOM 0 HG2 MET A 353 83.456 0.252 11.243 1.00 0.00 H new ATOM 0 HG3 MET A 353 82.457 0.741 9.889 1.00 0.00 H new ATOM 0 HE1 MET A 353 85.564 3.451 12.003 1.00 0.00 H new ATOM 0 HE2 MET A 353 84.045 2.965 12.793 1.00 0.00 H new ATOM 0 HE3 MET A 353 85.270 1.739 12.390 1.00 0.00 H new ATOM 374 N ILE A 354 79.132 0.545 12.237 1.00 0.00 N ATOM 375 CA ILE A 354 77.886 0.031 11.780 1.00 0.00 C ATOM 376 C ILE A 354 77.364 0.969 10.740 1.00 0.00 C ATOM 377 O ILE A 354 76.625 1.920 10.997 1.00 0.00 O ATOM 378 CB ILE A 354 76.863 -0.092 12.899 1.00 0.00 C ATOM 379 CG1 ILE A 354 77.306 -1.171 13.878 1.00 0.00 C ATOM 380 CG2 ILE A 354 75.475 -0.392 12.339 1.00 0.00 C ATOM 381 CD1 ILE A 354 78.164 -0.648 15.009 1.00 0.00 C ATOM 0 H ILE A 354 79.150 1.557 12.361 1.00 0.00 H new ATOM 0 HA ILE A 354 78.047 -0.971 11.382 1.00 0.00 H new ATOM 0 HB ILE A 354 76.801 0.858 13.429 1.00 0.00 H new ATOM 0 HG12 ILE A 354 76.423 -1.655 14.296 1.00 0.00 H new ATOM 0 HG13 ILE A 354 77.862 -1.936 13.336 1.00 0.00 H new ATOM 0 HG21 ILE A 354 74.762 -0.475 13.159 1.00 0.00 H new ATOM 0 HG22 ILE A 354 75.169 0.415 11.673 1.00 0.00 H new ATOM 0 HG23 ILE A 354 75.501 -1.330 11.785 1.00 0.00 H new ATOM 0 HD11 ILE A 354 78.442 -1.472 15.666 1.00 0.00 H new ATOM 0 HD12 ILE A 354 79.065 -0.190 14.601 1.00 0.00 H new ATOM 0 HD13 ILE A 354 77.604 0.096 15.576 1.00 0.00 H new ATOM 393 N PHE A 355 77.756 0.634 9.579 1.00 0.00 N ATOM 394 CA PHE A 355 77.380 1.343 8.369 1.00 0.00 C ATOM 395 C PHE A 355 77.104 0.358 7.244 1.00 0.00 C ATOM 396 O PHE A 355 77.966 -0.451 6.900 1.00 0.00 O ATOM 397 CB PHE A 355 78.481 2.321 7.956 1.00 0.00 C ATOM 398 CG PHE A 355 78.879 3.273 9.048 1.00 0.00 C ATOM 399 CD1 PHE A 355 77.918 3.990 9.744 1.00 0.00 C ATOM 400 CD2 PHE A 355 80.213 3.452 9.378 1.00 0.00 C ATOM 401 CE1 PHE A 355 78.281 4.866 10.749 1.00 0.00 C ATOM 402 CE2 PHE A 355 80.581 4.327 10.382 1.00 0.00 C ATOM 403 CZ PHE A 355 79.614 5.035 11.068 1.00 0.00 C ATOM 0 H PHE A 355 78.368 -0.164 9.409 1.00 0.00 H new ATOM 0 HA PHE A 355 76.471 1.909 8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 355 79.358 1.756 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 355 78.142 2.893 7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 355 76.874 3.862 9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 355 80.974 2.901 8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 355 77.523 5.418 11.285 1.00 0.00 H new ATOM 0 HE2 PHE A 355 81.624 4.457 10.630 1.00 0.00 H new ATOM 0 HZ PHE A 355 79.900 5.720 11.853 1.00 0.00 H new ATOM 413 N GLY A 356 75.917 0.429 6.658 1.00 0.00 N ATOM 414 CA GLY A 356 75.600 -0.469 5.567 1.00 0.00 C ATOM 415 C GLY A 356 74.853 0.213 4.459 1.00 0.00 C ATOM 416 O GLY A 356 73.699 0.598 4.610 1.00 0.00 O ATOM 0 H GLY A 356 75.177 1.083 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.522 -0.894 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 356 75.003 -1.299 5.946 1.00 0.00 H new ATOM 420 N VAL A 357 75.517 0.340 3.338 1.00 0.00 N ATOM 421 CA VAL A 357 74.924 0.968 2.170 1.00 0.00 C ATOM 422 C VAL A 357 74.530 -0.085 1.149 1.00 0.00 C ATOM 423 O VAL A 357 75.289 -1.010 0.873 1.00 0.00 O ATOM 424 CB VAL A 357 75.874 1.998 1.520 1.00 0.00 C ATOM 425 CG1 VAL A 357 76.246 3.082 2.521 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.125 1.327 0.967 1.00 0.00 C ATOM 0 H VAL A 357 76.475 0.017 3.203 1.00 0.00 H new ATOM 0 HA VAL A 357 74.035 1.502 2.506 1.00 0.00 H new ATOM 0 HB VAL A 357 75.348 2.459 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 357 76.916 3.800 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 357 75.343 3.594 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 357 76.746 2.630 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 357 77.772 2.079 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.658 0.827 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.841 0.594 0.212 1.00 0.00 H new ATOM 436 N LYS A 358 73.334 0.049 0.599 1.00 0.00 N ATOM 437 CA LYS A 358 72.848 -0.906 -0.381 1.00 0.00 C ATOM 438 C LYS A 358 72.641 -0.242 -1.732 1.00 0.00 C ATOM 439 O LYS A 358 71.845 0.689 -1.862 1.00 0.00 O ATOM 440 CB LYS A 358 71.539 -1.536 0.097 1.00 0.00 C ATOM 441 CG LYS A 358 70.986 -2.585 -0.854 1.00 0.00 C ATOM 442 CD LYS A 358 69.467 -2.567 -0.881 1.00 0.00 C ATOM 443 CE LYS A 358 68.880 -3.369 0.270 1.00 0.00 C ATOM 444 NZ LYS A 358 67.402 -3.211 0.360 1.00 0.00 N ATOM 0 H LYS A 358 72.685 0.806 0.814 1.00 0.00 H new ATOM 0 HA LYS A 358 73.600 -1.687 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 358 71.700 -1.992 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 358 70.795 -0.751 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 358 71.371 -2.406 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 358 71.334 -3.572 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 358 69.113 -1.537 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 358 69.114 -2.975 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 358 69.125 -4.423 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 358 69.337 -3.048 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 67.041 -3.773 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 67.168 -2.209 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 66.963 -3.541 -0.523 1.00 0.00 H new ATOM 458 N CYS A 359 73.351 -0.738 -2.737 1.00 0.00 N ATOM 459 CA CYS A 359 73.230 -0.204 -4.087 1.00 0.00 C ATOM 460 C CYS A 359 72.381 -1.135 -4.935 1.00 0.00 C ATOM 461 O CYS A 359 72.558 -2.352 -4.894 1.00 0.00 O ATOM 462 CB CYS A 359 74.608 -0.016 -4.736 1.00 0.00 C ATOM 463 SG CYS A 359 75.395 -1.556 -5.322 1.00 0.00 S ATOM 0 H CYS A 359 74.015 -1.507 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 359 72.749 0.772 -4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 359 74.507 0.667 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 359 75.271 0.463 -4.016 1.00 0.00 H new ATOM 0 HG CYS A 359 75.956 -1.345 -6.475 1.00 0.00 H new ATOM 468 N LYS A 360 71.470 -0.569 -5.712 1.00 0.00 N ATOM 469 CA LYS A 360 70.631 -1.339 -6.556 1.00 0.00 C ATOM 470 C LYS A 360 71.403 -1.772 -7.780 1.00 0.00 C ATOM 471 O LYS A 360 72.629 -1.675 -7.831 1.00 0.00 O ATOM 472 CB LYS A 360 69.409 -0.503 -6.929 1.00 0.00 C ATOM 473 CG LYS A 360 68.129 -0.909 -6.206 1.00 0.00 C ATOM 474 CD LYS A 360 68.350 -1.114 -4.711 1.00 0.00 C ATOM 475 CE LYS A 360 68.195 0.182 -3.931 1.00 0.00 C ATOM 476 NZ LYS A 360 68.779 1.348 -4.652 1.00 0.00 N ATOM 0 H LYS A 360 71.308 0.437 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 360 70.292 -2.239 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 360 69.619 0.544 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 360 69.245 -0.579 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 360 67.370 -0.142 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 360 67.743 -1.830 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 360 67.639 -1.850 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 360 69.347 -1.521 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 360 67.137 0.366 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 360 68.678 0.079 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 68.665 2.206 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 69.791 1.179 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 68.290 1.475 -5.561 1.00 0.00 H new ATOM 490 N HIS A 361 70.676 -2.259 -8.748 1.00 0.00 N ATOM 491 CA HIS A 361 71.259 -2.744 -9.997 1.00 0.00 C ATOM 492 C HIS A 361 72.067 -4.025 -9.762 1.00 0.00 C ATOM 493 O HIS A 361 72.088 -4.920 -10.608 1.00 0.00 O ATOM 494 CB HIS A 361 72.151 -1.669 -10.627 1.00 0.00 C ATOM 495 CG HIS A 361 71.576 -1.071 -11.873 1.00 0.00 C ATOM 496 ND1 HIS A 361 70.552 -0.147 -11.862 1.00 0.00 N ATOM 497 CD2 HIS A 361 71.889 -1.268 -13.176 1.00 0.00 C ATOM 498 CE1 HIS A 361 70.259 0.197 -13.104 1.00 0.00 C ATOM 499 NE2 HIS A 361 71.055 -0.468 -13.920 1.00 0.00 N ATOM 0 H HIS A 361 69.660 -2.337 -8.706 1.00 0.00 H new ATOM 0 HA HIS A 361 70.443 -2.971 -10.683 1.00 0.00 H new ATOM 0 HB2 HIS A 361 72.321 -0.877 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 361 73.123 -2.104 -10.858 1.00 0.00 H new ATOM 0 HD2 HIS A 361 72.652 -1.930 -13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 361 69.497 0.903 -13.401 1.00 0.00 H new ATOM 0 HE2 HIS A 361 71.052 -0.399 -14.938 1.00 0.00 H new ATOM 508 N CYS A 362 72.731 -4.103 -8.610 1.00 0.00 N ATOM 509 CA CYS A 362 73.543 -5.264 -8.257 1.00 0.00 C ATOM 510 C CYS A 362 73.185 -5.780 -6.863 1.00 0.00 C ATOM 511 O CYS A 362 73.192 -6.986 -6.619 1.00 0.00 O ATOM 512 CB CYS A 362 75.039 -4.920 -8.305 1.00 0.00 C ATOM 513 SG CYS A 362 75.437 -3.346 -9.137 1.00 0.00 S ATOM 0 H CYS A 362 72.721 -3.370 -7.901 1.00 0.00 H new ATOM 0 HA CYS A 362 73.333 -6.044 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 362 75.421 -4.882 -7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 362 75.567 -5.727 -8.814 1.00 0.00 H new ATOM 0 HG CYS A 362 76.247 -2.654 -8.392 1.00 0.00 H new ATOM 518 N ARG A 363 72.883 -4.854 -5.951 1.00 0.00 N ATOM 519 CA ARG A 363 72.531 -5.204 -4.574 1.00 0.00 C ATOM 520 C ARG A 363 73.779 -5.566 -3.772 1.00 0.00 C ATOM 521 O ARG A 363 73.975 -6.721 -3.394 1.00 0.00 O ATOM 522 CB ARG A 363 71.530 -6.366 -4.542 1.00 0.00 C ATOM 523 CG ARG A 363 70.385 -6.214 -5.531 1.00 0.00 C ATOM 524 CD ARG A 363 69.660 -4.890 -5.346 1.00 0.00 C ATOM 525 NE ARG A 363 68.833 -4.883 -4.141 1.00 0.00 N ATOM 526 CZ ARG A 363 67.645 -5.476 -4.054 1.00 0.00 C ATOM 527 NH1 ARG A 363 67.141 -6.124 -5.097 1.00 0.00 N ATOM 528 NH2 ARG A 363 66.958 -5.421 -2.921 1.00 0.00 N ATOM 0 H ARG A 363 72.875 -3.852 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 363 72.063 -4.332 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 363 72.059 -7.296 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 363 71.120 -6.453 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 363 70.771 -6.280 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 363 69.681 -7.036 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 363 70.389 -4.082 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 363 69.034 -4.695 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 363 69.187 -4.395 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 363 67.665 -6.169 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 363 66.230 -6.577 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 363 67.340 -4.924 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 363 66.047 -5.876 -2.854 1.00 0.00 H new ATOM 542 N LEU A 364 74.622 -4.568 -3.518 1.00 0.00 N ATOM 543 CA LEU A 364 75.854 -4.777 -2.761 1.00 0.00 C ATOM 544 C LEU A 364 75.784 -4.076 -1.407 1.00 0.00 C ATOM 545 O LEU A 364 74.839 -3.340 -1.131 1.00 0.00 O ATOM 546 CB LEU A 364 77.056 -4.259 -3.556 1.00 0.00 C ATOM 547 CG LEU A 364 78.308 -5.136 -3.486 1.00 0.00 C ATOM 548 CD1 LEU A 364 78.169 -6.338 -4.407 1.00 0.00 C ATOM 549 CD2 LEU A 364 79.545 -4.327 -3.847 1.00 0.00 C ATOM 0 H LEU A 364 74.475 -3.607 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 364 75.973 -5.847 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 364 76.763 -4.154 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 364 77.309 -3.262 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 364 78.419 -5.498 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 364 79.069 -6.950 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 364 77.305 -6.930 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 364 78.034 -5.996 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 364 80.426 -4.966 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 364 79.442 -3.937 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 364 79.654 -3.498 -3.148 1.00 0.00 H new ATOM 561 N LYS A 365 76.789 -4.306 -0.565 1.00 0.00 N ATOM 562 CA LYS A 365 76.831 -3.689 0.757 1.00 0.00 C ATOM 563 C LYS A 365 78.195 -3.051 1.022 1.00 0.00 C ATOM 564 O LYS A 365 79.233 -3.634 0.708 1.00 0.00 O ATOM 565 CB LYS A 365 76.518 -4.724 1.838 1.00 0.00 C ATOM 566 CG LYS A 365 75.054 -5.130 1.887 1.00 0.00 C ATOM 567 CD LYS A 365 74.797 -6.386 1.071 1.00 0.00 C ATOM 568 CE LYS A 365 73.589 -7.150 1.590 1.00 0.00 C ATOM 569 NZ LYS A 365 73.903 -7.908 2.832 1.00 0.00 N ATOM 0 H LYS A 365 77.582 -4.913 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 365 76.074 -2.905 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 365 77.127 -5.612 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 365 76.807 -4.322 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 365 74.757 -5.300 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 365 74.437 -4.316 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 365 74.637 -6.117 0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 365 75.677 -7.029 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 365 72.775 -6.452 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 365 73.239 -7.840 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 73.092 -8.507 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 74.739 -8.506 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 74.098 -7.241 3.606 1.00 0.00 H new ATOM 583 N CYS A 366 78.186 -1.846 1.594 1.00 0.00 N ATOM 584 CA CYS A 366 79.426 -1.123 1.892 1.00 0.00 C ATOM 585 C CYS A 366 79.232 -0.138 3.042 1.00 0.00 C ATOM 586 O CYS A 366 78.106 0.188 3.416 1.00 0.00 O ATOM 587 CB CYS A 366 79.947 -0.370 0.661 1.00 0.00 C ATOM 588 SG CYS A 366 79.670 -1.203 -0.921 1.00 0.00 S ATOM 0 H CYS A 366 77.336 -1.350 1.860 1.00 0.00 H new ATOM 0 HA CYS A 366 80.163 -1.871 2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 366 79.472 0.610 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 366 81.017 -0.202 0.783 1.00 0.00 H new ATOM 0 HG CYS A 366 79.745 -2.490 -0.753 1.00 0.00 H new ATOM 594 N HIS A 367 80.351 0.330 3.595 1.00 0.00 N ATOM 595 CA HIS A 367 80.340 1.285 4.705 1.00 0.00 C ATOM 596 C HIS A 367 79.449 2.478 4.389 1.00 0.00 C ATOM 597 O HIS A 367 78.798 2.522 3.346 1.00 0.00 O ATOM 598 CB HIS A 367 81.762 1.785 4.985 1.00 0.00 C ATOM 599 CG HIS A 367 82.480 1.022 6.057 1.00 0.00 C ATOM 600 ND1 HIS A 367 83.675 0.390 5.811 1.00 0.00 N ATOM 601 CD2 HIS A 367 82.137 0.828 7.353 1.00 0.00 C ATOM 602 CE1 HIS A 367 84.030 -0.167 6.955 1.00 0.00 C ATOM 603 NE2 HIS A 367 83.131 0.067 7.918 1.00 0.00 N ATOM 0 H HIS A 367 81.286 0.060 3.289 1.00 0.00 H new ATOM 0 HA HIS A 367 79.948 0.772 5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 367 82.343 1.730 4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 367 81.716 2.836 5.271 1.00 0.00 H new ATOM 0 HD1 HIS A 367 84.183 0.358 4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 367 81.252 1.200 7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 367 84.934 -0.740 7.096 1.00 0.00 H new ATOM 611 N ASN A 368 79.444 3.464 5.280 1.00 0.00 N ATOM 612 CA ASN A 368 78.651 4.669 5.068 1.00 0.00 C ATOM 613 C ASN A 368 78.933 5.240 3.681 1.00 0.00 C ATOM 614 O ASN A 368 78.094 5.921 3.092 1.00 0.00 O ATOM 615 CB ASN A 368 78.967 5.713 6.141 1.00 0.00 C ATOM 616 CG ASN A 368 77.985 6.869 6.129 1.00 0.00 C ATOM 617 OD1 ASN A 368 76.784 6.680 6.319 1.00 0.00 O ATOM 618 ND2 ASN A 368 78.494 8.075 5.905 1.00 0.00 N ATOM 0 H ASN A 368 79.976 3.453 6.150 1.00 0.00 H new ATOM 0 HA ASN A 368 77.595 4.409 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 368 78.953 5.238 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 368 79.976 6.095 5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 368 77.882 8.891 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 368 79.496 8.185 5.752 1.00 0.00 H new ATOM 625 N LYS A 369 80.125 4.942 3.165 1.00 0.00 N ATOM 626 CA LYS A 369 80.531 5.405 1.848 1.00 0.00 C ATOM 627 C LYS A 369 81.370 4.344 1.134 1.00 0.00 C ATOM 628 O LYS A 369 80.896 3.689 0.205 1.00 0.00 O ATOM 629 CB LYS A 369 81.320 6.713 1.967 1.00 0.00 C ATOM 630 CG LYS A 369 81.537 7.417 0.639 1.00 0.00 C ATOM 631 CD LYS A 369 80.235 7.559 -0.130 1.00 0.00 C ATOM 632 CE LYS A 369 80.355 8.577 -1.253 1.00 0.00 C ATOM 633 NZ LYS A 369 81.409 8.202 -2.236 1.00 0.00 N ATOM 0 H LYS A 369 80.826 4.379 3.646 1.00 0.00 H new ATOM 0 HA LYS A 369 79.633 5.586 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 369 80.792 7.386 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 369 82.289 6.503 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 369 81.968 8.403 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 369 82.256 6.857 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 369 79.949 6.592 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 369 79.440 7.861 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 369 79.397 8.666 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 369 80.584 9.556 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 81.435 8.904 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 82.333 8.175 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 81.196 7.265 -2.633 1.00 0.00 H new ATOM 647 N CYS A 370 82.616 4.179 1.586 1.00 0.00 N ATOM 648 CA CYS A 370 83.553 3.200 1.015 1.00 0.00 C ATOM 649 C CYS A 370 83.391 3.045 -0.497 1.00 0.00 C ATOM 650 O CYS A 370 83.637 1.974 -1.051 1.00 0.00 O ATOM 651 CB CYS A 370 83.372 1.848 1.693 1.00 0.00 C ATOM 652 SG CYS A 370 84.657 1.464 2.929 1.00 0.00 S ATOM 0 H CYS A 370 83.006 4.719 2.358 1.00 0.00 H new ATOM 0 HA CYS A 370 84.559 3.577 1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 370 82.396 1.823 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 370 83.369 1.068 0.932 1.00 0.00 H new ATOM 0 HG CYS A 370 85.642 0.843 2.352 1.00 0.00 H new ATOM 657 N THR A 371 82.980 4.116 -1.155 1.00 0.00 N ATOM 658 CA THR A 371 82.788 4.096 -2.601 1.00 0.00 C ATOM 659 C THR A 371 84.121 3.934 -3.324 1.00 0.00 C ATOM 660 O THR A 371 84.207 3.247 -4.342 1.00 0.00 O ATOM 661 CB THR A 371 82.093 5.376 -3.065 1.00 0.00 C ATOM 662 OG1 THR A 371 80.966 5.655 -2.255 1.00 0.00 O ATOM 663 CG2 THR A 371 81.619 5.310 -4.501 1.00 0.00 C ATOM 0 H THR A 371 82.772 5.012 -0.714 1.00 0.00 H new ATOM 0 HA THR A 371 82.156 3.242 -2.846 1.00 0.00 H new ATOM 0 HB THR A 371 82.844 6.161 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 371 80.159 5.671 -2.811 1.00 0.00 H new ATOM 0 HG21 THR A 371 81.135 6.249 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 371 82.472 5.142 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 371 80.908 4.491 -4.612 1.00 0.00 H new ATOM 671 N LYS A 372 85.159 4.570 -2.790 1.00 0.00 N ATOM 672 CA LYS A 372 86.489 4.496 -3.384 1.00 0.00 C ATOM 673 C LYS A 372 87.166 3.174 -3.036 1.00 0.00 C ATOM 674 O LYS A 372 87.963 2.650 -3.814 1.00 0.00 O ATOM 675 CB LYS A 372 87.350 5.665 -2.904 1.00 0.00 C ATOM 676 CG LYS A 372 87.481 5.745 -1.392 1.00 0.00 C ATOM 677 CD LYS A 372 88.814 6.348 -0.979 1.00 0.00 C ATOM 678 CE LYS A 372 88.709 7.852 -0.790 1.00 0.00 C ATOM 679 NZ LYS A 372 89.117 8.596 -2.014 1.00 0.00 N ATOM 0 H LYS A 372 85.105 5.142 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 372 86.381 4.555 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 372 88.344 5.577 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 372 86.921 6.597 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 372 86.667 6.346 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 372 87.384 4.747 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 372 89.152 5.886 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 372 89.565 6.127 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 372 87.683 8.114 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 372 89.337 8.157 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 89.031 9.618 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 90.104 8.366 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 88.501 8.324 -2.807 1.00 0.00 H new ATOM 693 N GLU A 373 86.843 2.639 -1.863 1.00 0.00 N ATOM 694 CA GLU A 373 87.420 1.378 -1.412 1.00 0.00 C ATOM 695 C GLU A 373 86.706 0.192 -2.052 1.00 0.00 C ATOM 696 O GLU A 373 87.344 -0.706 -2.601 1.00 0.00 O ATOM 697 CB GLU A 373 87.341 1.274 0.112 1.00 0.00 C ATOM 698 CG GLU A 373 88.509 1.933 0.828 1.00 0.00 C ATOM 699 CD GLU A 373 89.848 1.357 0.413 1.00 0.00 C ATOM 700 OE1 GLU A 373 90.197 0.259 0.895 1.00 0.00 O ATOM 701 OE2 GLU A 373 90.548 2.003 -0.394 1.00 0.00 O ATOM 0 H GLU A 373 86.184 3.059 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 373 88.466 1.356 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 373 86.412 1.732 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 373 87.299 0.222 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 373 88.499 3.003 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 373 88.384 1.814 1.904 1.00 0.00 H new ATOM 708 N ALA A 374 85.379 0.196 -1.978 1.00 0.00 N ATOM 709 CA ALA A 374 84.578 -0.880 -2.550 1.00 0.00 C ATOM 710 C ALA A 374 84.845 -1.028 -4.045 1.00 0.00 C ATOM 711 O ALA A 374 85.268 -0.079 -4.706 1.00 0.00 O ATOM 712 CB ALA A 374 83.099 -0.628 -2.298 1.00 0.00 C ATOM 0 H ALA A 374 84.836 0.932 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 374 84.864 -1.812 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 374 82.513 -1.439 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 374 82.916 -0.580 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 374 82.807 0.316 -2.758 1.00 0.00 H new ATOM 718 N PRO A 375 84.599 -2.227 -4.602 1.00 0.00 N ATOM 719 CA PRO A 375 84.816 -2.494 -6.028 1.00 0.00 C ATOM 720 C PRO A 375 83.834 -1.733 -6.913 1.00 0.00 C ATOM 721 O PRO A 375 82.739 -1.377 -6.479 1.00 0.00 O ATOM 722 CB PRO A 375 84.588 -4.002 -6.150 1.00 0.00 C ATOM 723 CG PRO A 375 83.707 -4.349 -5.000 1.00 0.00 C ATOM 724 CD PRO A 375 84.092 -3.414 -3.888 1.00 0.00 C ATOM 0 HA PRO A 375 85.805 -2.174 -6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 375 84.117 -4.255 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 375 85.530 -4.549 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 375 82.656 -4.230 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 375 83.845 -5.388 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 375 83.239 -3.169 -3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 375 84.853 -3.850 -3.241 1.00 0.00 H new ATOM 732 N ALA A 376 84.234 -1.487 -8.156 1.00 0.00 N ATOM 733 CA ALA A 376 83.390 -0.768 -9.103 1.00 0.00 C ATOM 734 C ALA A 376 82.054 -1.479 -9.297 1.00 0.00 C ATOM 735 O ALA A 376 81.980 -2.511 -9.962 1.00 0.00 O ATOM 736 CB ALA A 376 84.106 -0.614 -10.436 1.00 0.00 C ATOM 0 H ALA A 376 85.138 -1.775 -8.531 1.00 0.00 H new ATOM 0 HA ALA A 376 83.189 0.222 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 376 83.464 -0.075 -11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 376 85.031 -0.057 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 376 84.336 -1.599 -10.841 1.00 0.00 H new ATOM 742 N CYS A 377 81.001 -0.918 -8.711 1.00 0.00 N ATOM 743 CA CYS A 377 79.667 -1.498 -8.819 1.00 0.00 C ATOM 744 C CYS A 377 79.239 -1.609 -10.279 1.00 0.00 C ATOM 745 O CYS A 377 79.246 -0.622 -11.015 1.00 0.00 O ATOM 746 CB CYS A 377 78.656 -0.655 -8.038 1.00 0.00 C ATOM 747 SG CYS A 377 77.604 -1.618 -6.903 1.00 0.00 S ATOM 0 H CYS A 377 81.046 -0.063 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 377 79.697 -2.501 -8.392 1.00 0.00 H new ATOM 0 HB2 CYS A 377 79.194 0.100 -7.465 1.00 0.00 H new ATOM 0 HB3 CYS A 377 78.018 -0.124 -8.745 1.00 0.00 H new ATOM 0 HG CYS A 377 77.170 -0.845 -5.952 1.00 0.00 H new