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 334 HIS : no HD1:sc= -7.39! C(o=-12!,f=-17!) USER MOD Set 1.2: A 359 CYS SG : rot -165:sc= -1.44! USER MOD Set 1.3: A 362 CYS SG : rot 52:sc= -1.09 USER MOD Set 1.4: A 377 CYS SG : rot -103:sc= -1.86! USER MOD Set 2.1: A 346 CYS SG : rot 176:sc= -1.51! USER MOD Set 2.2: A 349 CYS SG : rot -114:sc= -1.03! USER MOD Set 2.3: A 353 MET CE :methyl 155:sc= -0.797 (180deg=-0.551) USER MOD Set 2.4: A 367 HIS : no HE2:sc= -13.2! C(o=-16!,f=-36!) USER MOD Set 2.5: A 370 CYS SG : rot -165:sc= 0.24 USER MOD Single : A 337 SER OG : rot 160:sc= -0.0293 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0549) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 344 GLN : amide:sc= -3.32 K(o=-3.3,f=-6.8!) USER MOD Single : A 347 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.39) USER MOD Single : A 350 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ -164:sc= -0.0103 (180deg=-0.118) USER MOD Single : A 360 LYS NZ :NH3+ 151:sc= -0.389 (180deg=-2.08) USER MOD Single : A 361 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.88) USER MOD Single : A 365 LYS NZ :NH3+ -153:sc= -0.0644 (180deg=-0.842) USER MOD Single : A 366 CYS SG : rot -90:sc= -4.35! USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0.028) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 75.807 -0.277 -11.313 1.00 0.00 N ATOM 52 CA HIS A 334 76.916 -0.216 -10.368 1.00 0.00 C ATOM 53 C HIS A 334 77.091 -1.554 -9.658 1.00 0.00 C ATOM 54 O HIS A 334 76.128 -2.126 -9.147 1.00 0.00 O ATOM 55 CB HIS A 334 76.680 0.898 -9.344 1.00 0.00 C ATOM 56 CG HIS A 334 76.311 2.212 -9.962 1.00 0.00 C ATOM 57 ND1 HIS A 334 76.942 3.379 -9.601 1.00 0.00 N ATOM 58 CD2 HIS A 334 75.381 2.486 -10.911 1.00 0.00 C ATOM 59 CE1 HIS A 334 76.387 4.329 -10.336 1.00 0.00 C ATOM 60 NE2 HIS A 334 75.437 3.836 -11.143 1.00 0.00 N ATOM 0 HA HIS A 334 77.828 0.003 -10.923 1.00 0.00 H new ATOM 0 HB2 HIS A 334 75.887 0.591 -8.662 1.00 0.00 H new ATOM 0 HB3 HIS A 334 77.582 1.028 -8.746 1.00 0.00 H new ATOM 0 HD2 HIS A 334 74.723 1.777 -11.391 1.00 0.00 H new ATOM 0 HE1 HIS A 334 76.665 5.372 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 334 74.866 4.364 -11.803 1.00 0.00 H new ATOM 68 N ARG A 335 78.323 -2.052 -9.631 1.00 0.00 N ATOM 69 CA ARG A 335 78.615 -3.325 -8.984 1.00 0.00 C ATOM 70 C ARG A 335 79.081 -3.110 -7.550 1.00 0.00 C ATOM 71 O ARG A 335 80.070 -2.423 -7.303 1.00 0.00 O ATOM 72 CB ARG A 335 79.674 -4.096 -9.775 1.00 0.00 C ATOM 73 CG ARG A 335 80.178 -5.348 -9.073 1.00 0.00 C ATOM 74 CD ARG A 335 79.050 -6.334 -8.815 1.00 0.00 C ATOM 75 NE ARG A 335 78.471 -6.840 -10.057 1.00 0.00 N ATOM 76 CZ ARG A 335 77.361 -7.574 -10.113 1.00 0.00 C ATOM 77 NH1 ARG A 335 76.709 -7.889 -9.001 1.00 0.00 N ATOM 78 NH2 ARG A 335 76.903 -7.993 -11.285 1.00 0.00 N ATOM 0 H ARG A 335 79.133 -1.594 -10.049 1.00 0.00 H new ATOM 0 HA ARG A 335 77.697 -3.913 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 335 79.258 -4.377 -10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 335 80.519 -3.436 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 335 80.946 -5.824 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 335 80.646 -5.073 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 335 79.426 -7.169 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 335 78.273 -5.849 -8.224 1.00 0.00 H new ATOM 0 HE ARG A 335 78.945 -6.618 -10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 335 77.057 -7.569 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 335 75.859 -8.451 -9.050 1.00 0.00 H new ATOM 0 HH21 ARG A 335 77.401 -7.753 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 335 76.053 -8.555 -11.329 1.00 0.00 H new ATOM 92 N PHE A 336 78.351 -3.697 -6.612 1.00 0.00 N ATOM 93 CA PHE A 336 78.653 -3.582 -5.210 1.00 0.00 C ATOM 94 C PHE A 336 79.315 -4.857 -4.686 1.00 0.00 C ATOM 95 O PHE A 336 79.138 -5.935 -5.254 1.00 0.00 O ATOM 96 CB PHE A 336 77.346 -3.331 -4.476 1.00 0.00 C ATOM 97 CG PHE A 336 77.154 -1.916 -4.013 1.00 0.00 C ATOM 98 CD1 PHE A 336 78.075 -1.315 -3.171 1.00 0.00 C ATOM 99 CD2 PHE A 336 76.048 -1.187 -4.420 1.00 0.00 C ATOM 100 CE1 PHE A 336 77.897 -0.012 -2.745 1.00 0.00 C ATOM 101 CE2 PHE A 336 75.865 0.116 -3.997 1.00 0.00 C ATOM 102 CZ PHE A 336 76.790 0.704 -3.158 1.00 0.00 C ATOM 0 H PHE A 336 77.530 -4.268 -6.813 1.00 0.00 H new ATOM 0 HA PHE A 336 79.351 -2.761 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 336 76.518 -3.601 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 336 77.297 -3.993 -3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 336 78.942 -1.870 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 336 75.320 -1.642 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 336 78.623 0.446 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 336 74.999 0.674 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 336 76.649 1.722 -2.825 1.00 0.00 H new ATOM 112 N SER A 337 80.066 -4.731 -3.596 1.00 0.00 N ATOM 113 CA SER A 337 80.739 -5.882 -2.995 1.00 0.00 C ATOM 114 C SER A 337 80.664 -5.816 -1.472 1.00 0.00 C ATOM 115 O SER A 337 80.987 -4.792 -0.874 1.00 0.00 O ATOM 116 CB SER A 337 82.200 -5.937 -3.444 1.00 0.00 C ATOM 117 OG SER A 337 82.938 -6.862 -2.665 1.00 0.00 O ATOM 0 H SER A 337 80.225 -3.848 -3.111 1.00 0.00 H new ATOM 0 HA SER A 337 80.231 -6.787 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 337 82.250 -6.220 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 337 82.647 -4.947 -3.359 1.00 0.00 H new ATOM 0 HG SER A 337 83.750 -7.121 -3.148 1.00 0.00 H new ATOM 123 N THR A 338 80.233 -6.911 -0.847 1.00 0.00 N ATOM 124 CA THR A 338 80.114 -6.959 0.609 1.00 0.00 C ATOM 125 C THR A 338 81.458 -7.242 1.270 1.00 0.00 C ATOM 126 O THR A 338 82.181 -8.158 0.878 1.00 0.00 O ATOM 127 CB THR A 338 79.097 -8.016 1.040 1.00 0.00 C ATOM 128 OG1 THR A 338 77.838 -7.776 0.437 1.00 0.00 O ATOM 129 CG2 THR A 338 78.888 -8.062 2.542 1.00 0.00 C ATOM 0 H THR A 338 79.962 -7.772 -1.323 1.00 0.00 H new ATOM 0 HA THR A 338 79.768 -5.978 0.935 1.00 0.00 H new ATOM 0 HB THR A 338 79.512 -8.970 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 338 77.202 -8.464 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 338 78.155 -8.832 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 338 79.833 -8.293 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 338 78.525 -7.094 2.889 1.00 0.00 H new ATOM 137 N LYS A 339 81.775 -6.444 2.280 1.00 0.00 N ATOM 138 CA LYS A 339 83.019 -6.584 3.021 1.00 0.00 C ATOM 139 C LYS A 339 82.841 -6.101 4.458 1.00 0.00 C ATOM 140 O LYS A 339 81.981 -5.261 4.740 1.00 0.00 O ATOM 141 CB LYS A 339 84.137 -5.795 2.338 1.00 0.00 C ATOM 142 CG LYS A 339 84.195 -6.000 0.834 1.00 0.00 C ATOM 143 CD LYS A 339 85.289 -5.157 0.198 1.00 0.00 C ATOM 144 CE LYS A 339 85.933 -5.874 -0.978 1.00 0.00 C ATOM 145 NZ LYS A 339 86.820 -6.984 -0.534 1.00 0.00 N ATOM 0 H LYS A 339 81.179 -5.684 2.607 1.00 0.00 H new ATOM 0 HA LYS A 339 83.293 -7.639 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 339 84.001 -4.734 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 339 85.093 -6.085 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 339 84.373 -7.053 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 339 83.232 -5.741 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 339 84.870 -4.209 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 339 86.049 -4.923 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 339 85.156 -6.270 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 339 86.511 -5.161 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 87.392 -7.313 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 87.448 -6.645 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 86.240 -7.770 -0.177 1.00 0.00 H new ATOM 159 N SER A 340 83.658 -6.634 5.360 1.00 0.00 N ATOM 160 CA SER A 340 83.597 -6.256 6.767 1.00 0.00 C ATOM 161 C SER A 340 84.906 -5.599 7.199 1.00 0.00 C ATOM 162 O SER A 340 85.459 -5.920 8.251 1.00 0.00 O ATOM 163 CB SER A 340 83.314 -7.483 7.635 1.00 0.00 C ATOM 164 OG SER A 340 83.993 -8.625 7.143 1.00 0.00 O ATOM 0 H SER A 340 84.371 -7.330 5.141 1.00 0.00 H new ATOM 0 HA SER A 340 82.786 -5.539 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 340 83.625 -7.286 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 340 82.241 -7.676 7.658 1.00 0.00 H new ATOM 0 HG SER A 340 83.797 -9.395 7.717 1.00 0.00 H new ATOM 224 N GLN A 344 83.473 -0.539 10.991 1.00 0.00 N ATOM 225 CA GLN A 344 82.447 -1.333 11.660 1.00 0.00 C ATOM 226 C GLN A 344 81.117 -0.588 11.736 1.00 0.00 C ATOM 227 O GLN A 344 80.167 -1.066 12.353 1.00 0.00 O ATOM 228 CB GLN A 344 82.902 -1.727 13.068 1.00 0.00 C ATOM 229 CG GLN A 344 83.612 -0.615 13.826 1.00 0.00 C ATOM 230 CD GLN A 344 82.836 0.688 13.817 1.00 0.00 C ATOM 231 OE1 GLN A 344 82.838 1.418 12.826 1.00 0.00 O ATOM 232 NE2 GLN A 344 82.169 0.987 14.926 1.00 0.00 N ATOM 0 HA GLN A 344 82.297 -2.234 11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 344 82.033 -2.046 13.643 1.00 0.00 H new ATOM 0 HB3 GLN A 344 83.569 -2.586 12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 344 83.774 -0.930 14.857 1.00 0.00 H new ATOM 0 HG3 GLN A 344 84.595 -0.451 13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 344 82.195 0.352 15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 344 81.630 1.851 14.980 1.00 0.00 H new ATOM 241 N VAL A 345 81.051 0.578 11.109 1.00 0.00 N ATOM 242 CA VAL A 345 79.829 1.373 11.111 1.00 0.00 C ATOM 243 C VAL A 345 79.449 1.811 9.700 1.00 0.00 C ATOM 244 O VAL A 345 80.276 2.347 8.962 1.00 0.00 O ATOM 245 CB VAL A 345 79.962 2.616 12.013 1.00 0.00 C ATOM 246 CG1 VAL A 345 81.020 3.567 11.472 1.00 0.00 C ATOM 247 CG2 VAL A 345 78.619 3.319 12.150 1.00 0.00 C ATOM 0 H VAL A 345 81.826 0.994 10.594 1.00 0.00 H new ATOM 0 HA VAL A 345 79.041 0.734 11.509 1.00 0.00 H new ATOM 0 HB VAL A 345 80.280 2.290 13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 345 81.096 4.436 12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 345 81.982 3.057 11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 345 80.740 3.890 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 345 78.730 4.194 12.790 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.270 3.631 11.166 1.00 0.00 H new ATOM 0 HG23 VAL A 345 77.894 2.636 12.593 1.00 0.00 H new ATOM 257 N CYS A 346 78.191 1.587 9.336 1.00 0.00 N ATOM 258 CA CYS A 346 77.694 1.965 8.018 1.00 0.00 C ATOM 259 C CYS A 346 77.902 3.459 7.773 1.00 0.00 C ATOM 260 O CYS A 346 77.902 4.256 8.711 1.00 0.00 O ATOM 261 CB CYS A 346 76.212 1.604 7.895 1.00 0.00 C ATOM 262 SG CYS A 346 75.450 2.143 6.329 1.00 0.00 S ATOM 0 H CYS A 346 77.495 1.145 9.937 1.00 0.00 H new ATOM 0 HA CYS A 346 78.254 1.415 7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 346 76.102 0.524 7.989 1.00 0.00 H new ATOM 0 HB3 CYS A 346 75.668 2.053 8.726 1.00 0.00 H new ATOM 0 HG CYS A 346 74.224 1.715 6.273 1.00 0.00 H new ATOM 267 N ASN A 347 78.093 3.830 6.510 1.00 0.00 N ATOM 268 CA ASN A 347 78.319 5.226 6.147 1.00 0.00 C ATOM 269 C ASN A 347 77.006 5.959 5.884 1.00 0.00 C ATOM 270 O ASN A 347 76.871 7.141 6.203 1.00 0.00 O ATOM 271 CB ASN A 347 79.217 5.313 4.910 1.00 0.00 C ATOM 272 CG ASN A 347 80.684 5.132 5.247 1.00 0.00 C ATOM 273 OD1 ASN A 347 81.142 4.018 5.499 1.00 0.00 O ATOM 274 ND2 ASN A 347 81.429 6.231 5.253 1.00 0.00 N ATOM 0 H ASN A 347 78.096 3.184 5.721 1.00 0.00 H new ATOM 0 HA ASN A 347 78.813 5.709 6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 347 78.915 4.551 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 347 79.074 6.280 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 347 82.423 6.172 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 347 81.007 7.134 5.038 1.00 0.00 H new ATOM 281 N VAL A 348 76.046 5.261 5.288 1.00 0.00 N ATOM 282 CA VAL A 348 74.754 5.858 4.970 1.00 0.00 C ATOM 283 C VAL A 348 73.943 6.163 6.231 1.00 0.00 C ATOM 284 O VAL A 348 73.935 7.297 6.710 1.00 0.00 O ATOM 285 CB VAL A 348 73.933 4.950 4.031 1.00 0.00 C ATOM 286 CG1 VAL A 348 72.567 5.558 3.744 1.00 0.00 C ATOM 287 CG2 VAL A 348 74.692 4.704 2.737 1.00 0.00 C ATOM 0 H VAL A 348 76.138 4.282 5.016 1.00 0.00 H new ATOM 0 HA VAL A 348 74.962 6.798 4.459 1.00 0.00 H new ATOM 0 HB VAL A 348 73.778 3.994 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 348 72.008 4.899 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 348 72.020 5.681 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 348 72.694 6.530 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 348 74.100 4.062 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 348 74.878 5.655 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 348 75.642 4.219 2.959 1.00 0.00 H new ATOM 297 N CYS A 349 73.246 5.157 6.753 1.00 0.00 N ATOM 298 CA CYS A 349 72.421 5.340 7.943 1.00 0.00 C ATOM 299 C CYS A 349 73.193 5.053 9.231 1.00 0.00 C ATOM 300 O CYS A 349 72.718 5.367 10.322 1.00 0.00 O ATOM 301 CB CYS A 349 71.176 4.454 7.865 1.00 0.00 C ATOM 302 SG CYS A 349 71.523 2.666 7.816 1.00 0.00 S ATOM 0 H CYS A 349 73.236 4.211 6.372 1.00 0.00 H new ATOM 0 HA CYS A 349 72.120 6.387 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 349 70.541 4.665 8.726 1.00 0.00 H new ATOM 0 HB3 CYS A 349 70.607 4.725 6.976 1.00 0.00 H new ATOM 0 HG CYS A 349 71.165 2.186 6.662 1.00 0.00 H new ATOM 307 N GLN A 350 74.381 4.460 9.103 1.00 0.00 N ATOM 308 CA GLN A 350 75.216 4.136 10.265 1.00 0.00 C ATOM 309 C GLN A 350 74.388 3.535 11.402 1.00 0.00 C ATOM 310 O GLN A 350 73.823 4.260 12.221 1.00 0.00 O ATOM 311 CB GLN A 350 75.958 5.382 10.759 1.00 0.00 C ATOM 312 CG GLN A 350 75.069 6.603 10.936 1.00 0.00 C ATOM 313 CD GLN A 350 75.814 7.785 11.526 1.00 0.00 C ATOM 314 OE1 GLN A 350 77.045 7.811 11.545 1.00 0.00 O ATOM 315 NE2 GLN A 350 75.070 8.771 12.012 1.00 0.00 N ATOM 0 H GLN A 350 74.788 4.193 8.207 1.00 0.00 H new ATOM 0 HA GLN A 350 75.944 3.390 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 350 76.437 5.153 11.711 1.00 0.00 H new ATOM 0 HB3 GLN A 350 76.752 5.623 10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 350 74.651 6.887 9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 350 74.230 6.347 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 350 74.053 8.708 11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 350 75.516 9.592 12.422 1.00 0.00 H new ATOM 324 N LYS A 351 74.320 2.207 11.445 1.00 0.00 N ATOM 325 CA LYS A 351 73.559 1.516 12.481 1.00 0.00 C ATOM 326 C LYS A 351 74.398 0.433 13.155 1.00 0.00 C ATOM 327 O LYS A 351 75.493 0.106 12.699 1.00 0.00 O ATOM 328 CB LYS A 351 72.294 0.897 11.883 1.00 0.00 C ATOM 329 CG LYS A 351 71.180 1.902 11.641 1.00 0.00 C ATOM 330 CD LYS A 351 70.245 1.995 12.836 1.00 0.00 C ATOM 331 CE LYS A 351 69.261 3.144 12.684 1.00 0.00 C ATOM 332 NZ LYS A 351 68.100 3.006 13.607 1.00 0.00 N ATOM 0 H LYS A 351 74.781 1.590 10.777 1.00 0.00 H new ATOM 0 HA LYS A 351 73.279 2.250 13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 351 72.547 0.414 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 351 71.930 0.118 12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 351 71.611 2.882 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 351 70.613 1.613 10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 351 69.698 1.058 12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 351 70.829 2.132 13.746 1.00 0.00 H new ATOM 0 HE2 LYS A 351 69.771 4.087 12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 351 68.904 3.183 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 67.452 3.809 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 67.598 2.118 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 68.438 2.995 14.591 1.00 0.00 H new ATOM 346 N SER A 352 73.871 -0.117 14.246 1.00 0.00 N ATOM 347 CA SER A 352 74.562 -1.164 14.993 1.00 0.00 C ATOM 348 C SER A 352 74.750 -2.415 14.139 1.00 0.00 C ATOM 349 O SER A 352 73.886 -3.291 14.101 1.00 0.00 O ATOM 350 CB SER A 352 73.783 -1.513 16.262 1.00 0.00 C ATOM 351 OG SER A 352 73.331 -0.342 16.921 1.00 0.00 O ATOM 0 H SER A 352 72.965 0.146 14.633 1.00 0.00 H new ATOM 0 HA SER A 352 75.546 -0.785 15.269 1.00 0.00 H new ATOM 0 HB2 SER A 352 72.931 -2.143 16.008 1.00 0.00 H new ATOM 0 HB3 SER A 352 74.417 -2.091 16.934 1.00 0.00 H new ATOM 0 HG SER A 352 72.834 -0.592 17.728 1.00 0.00 H new ATOM 357 N MET A 353 75.887 -2.487 13.457 1.00 0.00 N ATOM 358 CA MET A 353 76.205 -3.625 12.597 1.00 0.00 C ATOM 359 C MET A 353 77.533 -3.403 11.897 1.00 0.00 C ATOM 360 O MET A 353 78.128 -2.332 12.006 1.00 0.00 O ATOM 361 CB MET A 353 75.118 -3.842 11.533 1.00 0.00 C ATOM 362 CG MET A 353 74.315 -2.602 11.185 1.00 0.00 C ATOM 363 SD MET A 353 72.560 -2.771 11.565 1.00 0.00 S ATOM 364 CE MET A 353 71.827 -2.280 10.006 1.00 0.00 C ATOM 0 H MET A 353 76.609 -1.767 13.482 1.00 0.00 H new ATOM 0 HA MET A 353 76.261 -4.508 13.234 1.00 0.00 H new ATOM 0 HB2 MET A 353 75.588 -4.221 10.625 1.00 0.00 H new ATOM 0 HB3 MET A 353 74.434 -4.615 11.884 1.00 0.00 H new ATOM 0 HG2 MET A 353 74.719 -1.749 11.730 1.00 0.00 H new ATOM 0 HG3 MET A 353 74.432 -2.386 10.123 1.00 0.00 H new ATOM 0 HE1 MET A 353 70.839 -2.731 9.910 1.00 0.00 H new ATOM 0 HE2 MET A 353 71.735 -1.194 9.973 1.00 0.00 H new ATOM 0 HE3 MET A 353 72.460 -2.616 9.185 1.00 0.00 H new ATOM 374 N ILE A 354 77.951 -4.382 11.105 1.00 0.00 N ATOM 375 CA ILE A 354 79.133 -4.249 10.323 1.00 0.00 C ATOM 376 C ILE A 354 78.861 -4.837 8.975 1.00 0.00 C ATOM 377 O ILE A 354 79.090 -6.012 8.690 1.00 0.00 O ATOM 378 CB ILE A 354 80.328 -4.960 10.944 1.00 0.00 C ATOM 379 CG1 ILE A 354 80.710 -4.275 12.251 1.00 0.00 C ATOM 380 CG2 ILE A 354 81.508 -4.991 9.976 1.00 0.00 C ATOM 381 CD1 ILE A 354 80.194 -4.985 13.483 1.00 0.00 C ATOM 0 H ILE A 354 77.472 -5.276 11.000 1.00 0.00 H new ATOM 0 HA ILE A 354 79.386 -3.190 10.261 1.00 0.00 H new ATOM 0 HB ILE A 354 80.053 -5.993 11.157 1.00 0.00 H new ATOM 0 HG12 ILE A 354 81.796 -4.206 12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 354 80.325 -3.255 12.242 1.00 0.00 H new ATOM 0 HG21 ILE A 354 82.349 -5.504 10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 354 81.220 -5.520 9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 354 81.800 -3.971 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 354 80.505 -4.440 14.374 1.00 0.00 H new ATOM 0 HD12 ILE A 354 79.106 -5.031 13.447 1.00 0.00 H new ATOM 0 HD13 ILE A 354 80.599 -5.996 13.517 1.00 0.00 H new ATOM 393 N PHE A 355 78.409 -3.958 8.176 1.00 0.00 N ATOM 394 CA PHE A 355 78.092 -4.221 6.785 1.00 0.00 C ATOM 395 C PHE A 355 78.544 -3.053 5.926 1.00 0.00 C ATOM 396 O PHE A 355 78.127 -1.917 6.155 1.00 0.00 O ATOM 397 CB PHE A 355 76.591 -4.459 6.608 1.00 0.00 C ATOM 398 CG PHE A 355 76.009 -5.403 7.621 1.00 0.00 C ATOM 399 CD1 PHE A 355 76.569 -6.654 7.823 1.00 0.00 C ATOM 400 CD2 PHE A 355 74.901 -5.040 8.370 1.00 0.00 C ATOM 401 CE1 PHE A 355 76.036 -7.525 8.754 1.00 0.00 C ATOM 402 CE2 PHE A 355 74.363 -5.907 9.302 1.00 0.00 C ATOM 403 CZ PHE A 355 74.931 -7.152 9.494 1.00 0.00 C ATOM 0 H PHE A 355 78.234 -2.993 8.456 1.00 0.00 H new ATOM 0 HA PHE A 355 78.619 -5.122 6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 355 76.070 -3.504 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 355 76.410 -4.854 5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 355 77.432 -6.952 7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 355 74.453 -4.068 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 355 76.483 -8.497 8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 355 73.500 -5.612 9.880 1.00 0.00 H new ATOM 0 HZ PHE A 355 74.512 -7.832 10.221 1.00 0.00 H new ATOM 413 N GLY A 356 79.383 -3.317 4.935 1.00 0.00 N ATOM 414 CA GLY A 356 79.836 -2.242 4.081 1.00 0.00 C ATOM 415 C GLY A 356 80.068 -2.674 2.666 1.00 0.00 C ATOM 416 O GLY A 356 81.046 -3.344 2.351 1.00 0.00 O ATOM 0 H GLY A 356 79.752 -4.241 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 356 79.098 -1.440 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 356 80.761 -1.830 4.485 1.00 0.00 H new ATOM 420 N VAL A 357 79.172 -2.249 1.817 1.00 0.00 N ATOM 421 CA VAL A 357 79.254 -2.549 0.400 1.00 0.00 C ATOM 422 C VAL A 357 79.726 -1.320 -0.353 1.00 0.00 C ATOM 423 O VAL A 357 79.250 -0.212 -0.107 1.00 0.00 O ATOM 424 CB VAL A 357 77.900 -3.021 -0.173 1.00 0.00 C ATOM 425 CG1 VAL A 357 77.472 -4.326 0.480 1.00 0.00 C ATOM 426 CG2 VAL A 357 76.831 -1.951 0.003 1.00 0.00 C ATOM 0 H VAL A 357 78.363 -1.686 2.080 1.00 0.00 H new ATOM 0 HA VAL A 357 79.967 -3.364 0.275 1.00 0.00 H new ATOM 0 HB VAL A 357 78.024 -3.196 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 357 76.516 -4.644 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 357 78.224 -5.092 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 357 77.369 -4.178 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 357 75.887 -2.308 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.705 -1.734 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 357 77.135 -1.044 -0.520 1.00 0.00 H new ATOM 436 N LYS A 358 80.676 -1.512 -1.253 1.00 0.00 N ATOM 437 CA LYS A 358 81.218 -0.402 -2.017 1.00 0.00 C ATOM 438 C LYS A 358 80.937 -0.561 -3.503 1.00 0.00 C ATOM 439 O LYS A 358 81.021 -1.659 -4.053 1.00 0.00 O ATOM 440 CB LYS A 358 82.725 -0.275 -1.775 1.00 0.00 C ATOM 441 CG LYS A 358 83.556 -1.322 -2.501 1.00 0.00 C ATOM 442 CD LYS A 358 84.510 -2.035 -1.557 1.00 0.00 C ATOM 443 CE LYS A 358 85.860 -1.339 -1.499 1.00 0.00 C ATOM 444 NZ LYS A 358 86.654 -1.561 -2.739 1.00 0.00 N ATOM 0 H LYS A 358 81.085 -2.420 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 358 80.724 0.509 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 358 83.051 0.716 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 358 82.919 -0.349 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 358 82.895 -2.051 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 358 84.123 -0.846 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 358 84.075 -2.072 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 358 84.645 -3.066 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 358 85.711 -0.270 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 358 86.420 -1.705 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 87.649 -1.312 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 86.591 -2.561 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 86.278 -0.965 -3.504 1.00 0.00 H new ATOM 458 N CYS A 359 80.620 0.554 -4.144 1.00 0.00 N ATOM 459 CA CYS A 359 80.349 0.570 -5.571 1.00 0.00 C ATOM 460 C CYS A 359 81.473 1.306 -6.285 1.00 0.00 C ATOM 461 O CYS A 359 81.713 2.481 -6.023 1.00 0.00 O ATOM 462 CB CYS A 359 78.982 1.214 -5.867 1.00 0.00 C ATOM 463 SG CYS A 359 78.959 3.040 -5.873 1.00 0.00 S ATOM 0 H CYS A 359 80.544 1.466 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 359 80.306 -0.455 -5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 359 78.636 0.860 -6.838 1.00 0.00 H new ATOM 0 HB3 CYS A 359 78.265 0.861 -5.125 1.00 0.00 H new ATOM 0 HG CYS A 359 77.730 3.459 -5.816 1.00 0.00 H new ATOM 468 N LYS A 360 82.184 0.590 -7.150 1.00 0.00 N ATOM 469 CA LYS A 360 83.301 1.128 -7.878 1.00 0.00 C ATOM 470 C LYS A 360 82.862 2.250 -8.797 1.00 0.00 C ATOM 471 O LYS A 360 83.604 3.199 -9.051 1.00 0.00 O ATOM 472 CB LYS A 360 83.948 0.010 -8.695 1.00 0.00 C ATOM 473 CG LYS A 360 83.561 -1.408 -8.289 1.00 0.00 C ATOM 474 CD LYS A 360 83.760 -1.615 -6.799 1.00 0.00 C ATOM 475 CE LYS A 360 82.710 -2.539 -6.212 1.00 0.00 C ATOM 476 NZ LYS A 360 82.425 -3.701 -7.099 1.00 0.00 N ATOM 0 H LYS A 360 81.990 -0.389 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 360 84.020 1.536 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 360 83.688 0.153 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 360 85.031 0.108 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 360 82.519 -1.595 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 360 84.163 -2.127 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 360 84.751 -2.031 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 360 83.722 -0.652 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 360 83.048 -2.900 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 360 81.790 -1.980 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 82.126 -4.513 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 81.667 -3.451 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 83.284 -3.951 -7.630 1.00 0.00 H new ATOM 490 N HIS A 361 81.648 2.121 -9.295 1.00 0.00 N ATOM 491 CA HIS A 361 81.078 3.112 -10.204 1.00 0.00 C ATOM 492 C HIS A 361 81.249 4.531 -9.661 1.00 0.00 C ATOM 493 O HIS A 361 81.645 5.441 -10.389 1.00 0.00 O ATOM 494 CB HIS A 361 79.595 2.821 -10.445 1.00 0.00 C ATOM 495 CG HIS A 361 79.334 2.064 -11.709 1.00 0.00 C ATOM 496 ND1 HIS A 361 80.017 0.916 -12.055 1.00 0.00 N ATOM 497 CD2 HIS A 361 78.457 2.295 -12.716 1.00 0.00 C ATOM 498 CE1 HIS A 361 79.573 0.476 -13.219 1.00 0.00 C ATOM 499 NE2 HIS A 361 78.627 1.294 -13.640 1.00 0.00 N ATOM 0 H HIS A 361 81.029 1.337 -9.088 1.00 0.00 H new ATOM 0 HA HIS A 361 81.616 3.043 -11.149 1.00 0.00 H new ATOM 0 HB2 HIS A 361 79.203 2.252 -9.602 1.00 0.00 H new ATOM 0 HB3 HIS A 361 79.048 3.763 -10.475 1.00 0.00 H new ATOM 0 HD2 HIS A 361 77.755 3.114 -12.780 1.00 0.00 H new ATOM 0 HE1 HIS A 361 79.925 -0.404 -13.738 1.00 0.00 H new ATOM 0 HE2 HIS A 361 78.106 1.198 -14.512 1.00 0.00 H new ATOM 508 N CYS A 362 80.941 4.711 -8.382 1.00 0.00 N ATOM 509 CA CYS A 362 81.053 6.020 -7.741 1.00 0.00 C ATOM 510 C CYS A 362 81.974 5.972 -6.525 1.00 0.00 C ATOM 511 O CYS A 362 82.498 6.997 -6.089 1.00 0.00 O ATOM 512 CB CYS A 362 79.674 6.514 -7.299 1.00 0.00 C ATOM 513 SG CYS A 362 78.291 5.933 -8.334 1.00 0.00 S ATOM 0 H CYS A 362 80.611 3.968 -7.766 1.00 0.00 H new ATOM 0 HA CYS A 362 81.478 6.705 -8.475 1.00 0.00 H new ATOM 0 HB2 CYS A 362 79.501 6.194 -6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 362 79.676 7.604 -7.298 1.00 0.00 H new ATOM 0 HG CYS A 362 78.356 4.641 -8.459 1.00 0.00 H new ATOM 518 N ARG A 363 82.139 4.778 -5.970 1.00 0.00 N ATOM 519 CA ARG A 363 82.965 4.567 -4.782 1.00 0.00 C ATOM 520 C ARG A 363 82.183 4.981 -3.544 1.00 0.00 C ATOM 521 O ARG A 363 82.587 5.880 -2.806 1.00 0.00 O ATOM 522 CB ARG A 363 84.282 5.348 -4.869 1.00 0.00 C ATOM 523 CG ARG A 363 84.992 5.204 -6.206 1.00 0.00 C ATOM 524 CD ARG A 363 85.274 3.746 -6.533 1.00 0.00 C ATOM 525 NE ARG A 363 86.526 3.284 -5.939 1.00 0.00 N ATOM 526 CZ ARG A 363 87.728 3.727 -6.303 1.00 0.00 C ATOM 527 NH1 ARG A 363 87.844 4.642 -7.257 1.00 0.00 N ATOM 528 NH2 ARG A 363 88.816 3.254 -5.712 1.00 0.00 N ATOM 0 H ARG A 363 81.705 3.927 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 363 83.217 3.508 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 363 84.081 6.404 -4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 363 84.948 5.009 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 363 84.379 5.643 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 363 85.929 5.761 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 363 84.452 3.128 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 363 85.317 3.619 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 363 86.477 2.581 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 363 87.010 5.009 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 363 88.767 4.978 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 363 88.733 2.550 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 363 89.736 3.594 -5.991 1.00 0.00 H new ATOM 542 N LEU A 364 81.043 4.328 -3.340 1.00 0.00 N ATOM 543 CA LEU A 364 80.173 4.639 -2.203 1.00 0.00 C ATOM 544 C LEU A 364 80.033 3.453 -1.251 1.00 0.00 C ATOM 545 O LEU A 364 79.700 2.349 -1.669 1.00 0.00 O ATOM 546 CB LEU A 364 78.790 5.057 -2.705 1.00 0.00 C ATOM 547 CG LEU A 364 78.157 6.230 -1.955 1.00 0.00 C ATOM 548 CD1 LEU A 364 78.642 7.553 -2.526 1.00 0.00 C ATOM 549 CD2 LEU A 364 76.639 6.144 -2.017 1.00 0.00 C ATOM 0 H LEU A 364 80.698 3.582 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 364 80.634 5.459 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 364 78.867 5.319 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 364 78.121 4.199 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 364 78.462 6.176 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 364 78.181 8.376 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 364 79.726 7.615 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 364 78.367 7.617 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 364 76.205 6.986 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 364 76.315 6.173 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 364 76.308 5.211 -1.560 1.00 0.00 H new ATOM 561 N LYS A 365 80.271 3.695 0.037 1.00 0.00 N ATOM 562 CA LYS A 365 80.156 2.644 1.044 1.00 0.00 C ATOM 563 C LYS A 365 78.799 2.711 1.744 1.00 0.00 C ATOM 564 O LYS A 365 78.322 3.792 2.089 1.00 0.00 O ATOM 565 CB LYS A 365 81.282 2.765 2.072 1.00 0.00 C ATOM 566 CG LYS A 365 81.272 1.663 3.119 1.00 0.00 C ATOM 567 CD LYS A 365 82.065 0.451 2.659 1.00 0.00 C ATOM 568 CE LYS A 365 83.537 0.579 3.019 1.00 0.00 C ATOM 569 NZ LYS A 365 84.330 1.178 1.910 1.00 0.00 N ATOM 0 H LYS A 365 80.544 4.606 0.406 1.00 0.00 H new ATOM 0 HA LYS A 365 80.239 1.681 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.240 2.752 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.204 3.730 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 365 81.692 2.041 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 365 80.244 1.368 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 365 81.654 -0.449 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 365 81.962 0.335 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 365 83.640 1.195 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 365 83.938 -0.405 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 85.315 0.849 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 83.924 0.889 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 84.306 2.215 1.987 1.00 0.00 H new ATOM 583 N CYS A 366 78.178 1.550 1.939 1.00 0.00 N ATOM 584 CA CYS A 366 76.869 1.479 2.585 1.00 0.00 C ATOM 585 C CYS A 366 76.627 0.103 3.198 1.00 0.00 C ATOM 586 O CYS A 366 77.334 -0.854 2.892 1.00 0.00 O ATOM 587 CB CYS A 366 75.758 1.814 1.585 1.00 0.00 C ATOM 588 SG CYS A 366 75.981 1.078 -0.051 1.00 0.00 S ATOM 0 H CYS A 366 78.559 0.646 1.659 1.00 0.00 H new ATOM 0 HA CYS A 366 76.855 2.215 3.389 1.00 0.00 H new ATOM 0 HB2 CYS A 366 74.805 1.479 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 366 75.696 2.897 1.478 1.00 0.00 H new ATOM 0 HG CYS A 366 76.659 1.892 -0.804 1.00 0.00 H new ATOM 594 N HIS A 367 75.625 0.018 4.073 1.00 0.00 N ATOM 595 CA HIS A 367 75.274 -1.236 4.745 1.00 0.00 C ATOM 596 C HIS A 367 75.232 -2.400 3.762 1.00 0.00 C ATOM 597 O HIS A 367 75.479 -2.230 2.568 1.00 0.00 O ATOM 598 CB HIS A 367 73.904 -1.107 5.422 1.00 0.00 C ATOM 599 CG HIS A 367 73.974 -0.702 6.863 1.00 0.00 C ATOM 600 ND1 HIS A 367 73.360 0.439 7.320 1.00 0.00 N ATOM 601 CD2 HIS A 367 74.588 -1.318 7.901 1.00 0.00 C ATOM 602 CE1 HIS A 367 73.611 0.489 8.615 1.00 0.00 C ATOM 603 NE2 HIS A 367 74.354 -0.551 9.015 1.00 0.00 N ATOM 0 H HIS A 367 75.037 0.809 4.335 1.00 0.00 H new ATOM 0 HA HIS A 367 76.043 -1.435 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 367 73.308 -0.374 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 367 73.382 -2.061 5.348 1.00 0.00 H new ATOM 0 HD1 HIS A 367 72.821 1.109 6.772 1.00 0.00 H new ATOM 0 HD2 HIS A 367 75.154 -2.237 7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 367 73.260 1.272 9.271 1.00 0.00 H new ATOM 611 N ASN A 368 74.886 -3.584 4.264 1.00 0.00 N ATOM 612 CA ASN A 368 74.785 -4.769 3.417 1.00 0.00 C ATOM 613 C ASN A 368 74.017 -4.437 2.140 1.00 0.00 C ATOM 614 O ASN A 368 74.231 -5.048 1.093 1.00 0.00 O ATOM 615 CB ASN A 368 74.087 -5.904 4.168 1.00 0.00 C ATOM 616 CG ASN A 368 74.495 -7.272 3.657 1.00 0.00 C ATOM 617 OD1 ASN A 368 74.133 -7.666 2.548 1.00 0.00 O ATOM 618 ND2 ASN A 368 75.252 -8.004 4.465 1.00 0.00 N ATOM 0 H ASN A 368 74.672 -3.747 5.248 1.00 0.00 H new ATOM 0 HA ASN A 368 75.791 -5.093 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 368 74.321 -5.831 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 368 73.007 -5.790 4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 368 75.557 -8.933 4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 368 75.529 -7.637 5.376 1.00 0.00 H new ATOM 625 N LYS A 369 73.131 -3.448 2.240 1.00 0.00 N ATOM 626 CA LYS A 369 72.338 -3.010 1.105 1.00 0.00 C ATOM 627 C LYS A 369 72.129 -1.495 1.141 1.00 0.00 C ATOM 628 O LYS A 369 72.711 -0.762 0.342 1.00 0.00 O ATOM 629 CB LYS A 369 70.986 -3.732 1.093 1.00 0.00 C ATOM 630 CG LYS A 369 70.218 -3.571 -0.209 1.00 0.00 C ATOM 631 CD LYS A 369 71.109 -3.815 -1.415 1.00 0.00 C ATOM 632 CE LYS A 369 70.336 -4.436 -2.567 1.00 0.00 C ATOM 633 NZ LYS A 369 71.124 -5.494 -3.258 1.00 0.00 N ATOM 0 H LYS A 369 72.947 -2.936 3.103 1.00 0.00 H new ATOM 0 HA LYS A 369 72.879 -3.259 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 369 71.149 -4.793 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 369 70.376 -3.355 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 369 69.380 -4.268 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 369 69.798 -2.567 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 369 71.550 -2.872 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 369 71.932 -4.472 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 369 69.406 -4.863 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.065 -3.660 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 70.562 -5.892 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 72.000 -5.082 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 71.361 -6.248 -2.582 1.00 0.00 H new ATOM 647 N CYS A 370 71.298 -1.040 2.082 1.00 0.00 N ATOM 648 CA CYS A 370 70.990 0.388 2.255 1.00 0.00 C ATOM 649 C CYS A 370 70.900 1.135 0.924 1.00 0.00 C ATOM 650 O CYS A 370 71.158 2.336 0.858 1.00 0.00 O ATOM 651 CB CYS A 370 72.037 1.046 3.146 1.00 0.00 C ATOM 652 SG CYS A 370 71.439 1.429 4.827 1.00 0.00 S ATOM 0 H CYS A 370 70.819 -1.648 2.746 1.00 0.00 H new ATOM 0 HA CYS A 370 70.010 0.447 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 370 72.903 0.388 3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 370 72.376 1.967 2.673 1.00 0.00 H new ATOM 0 HG CYS A 370 72.261 2.256 5.402 1.00 0.00 H new ATOM 657 N THR A 371 70.533 0.421 -0.129 1.00 0.00 N ATOM 658 CA THR A 371 70.410 1.021 -1.453 1.00 0.00 C ATOM 659 C THR A 371 69.245 2.005 -1.497 1.00 0.00 C ATOM 660 O THR A 371 69.325 3.048 -2.146 1.00 0.00 O ATOM 661 CB THR A 371 70.220 -0.062 -2.516 1.00 0.00 C ATOM 662 OG1 THR A 371 69.855 0.513 -3.758 1.00 0.00 O ATOM 663 CG2 THR A 371 69.162 -1.080 -2.152 1.00 0.00 C ATOM 0 H THR A 371 70.315 -0.575 -0.095 1.00 0.00 H new ATOM 0 HA THR A 371 71.331 1.565 -1.664 1.00 0.00 H new ATOM 0 HB THR A 371 71.181 -0.571 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 371 69.740 -0.195 -4.425 1.00 0.00 H new ATOM 0 HG21 THR A 371 69.079 -1.819 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 371 69.440 -1.578 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 371 68.204 -0.578 -2.021 1.00 0.00 H new ATOM 671 N LYS A 372 68.164 1.666 -0.802 1.00 0.00 N ATOM 672 CA LYS A 372 66.983 2.520 -0.761 1.00 0.00 C ATOM 673 C LYS A 372 67.192 3.694 0.189 1.00 0.00 C ATOM 674 O LYS A 372 66.899 4.841 -0.151 1.00 0.00 O ATOM 675 CB LYS A 372 65.758 1.711 -0.329 1.00 0.00 C ATOM 676 CG LYS A 372 64.471 2.519 -0.312 1.00 0.00 C ATOM 677 CD LYS A 372 63.943 2.756 -1.717 1.00 0.00 C ATOM 678 CE LYS A 372 62.468 3.123 -1.704 1.00 0.00 C ATOM 679 NZ LYS A 372 62.167 4.178 -0.696 1.00 0.00 N ATOM 0 H LYS A 372 68.082 0.806 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 372 66.815 2.914 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 372 65.636 0.863 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 372 65.935 1.303 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 372 63.719 1.994 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 372 64.648 3.477 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 372 64.513 3.555 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 372 64.090 1.859 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 372 62.172 3.471 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 372 61.875 2.235 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 61.234 4.592 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 62.164 3.758 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 62.893 4.922 -0.744 1.00 0.00 H new ATOM 693 N GLU A 373 67.700 3.401 1.381 1.00 0.00 N ATOM 694 CA GLU A 373 67.949 4.434 2.381 1.00 0.00 C ATOM 695 C GLU A 373 68.924 5.480 1.851 1.00 0.00 C ATOM 696 O GLU A 373 68.648 6.679 1.894 1.00 0.00 O ATOM 697 CB GLU A 373 68.501 3.809 3.664 1.00 0.00 C ATOM 698 CG GLU A 373 67.512 2.895 4.369 1.00 0.00 C ATOM 699 CD GLU A 373 66.447 3.664 5.126 1.00 0.00 C ATOM 700 OE1 GLU A 373 66.772 4.728 5.693 1.00 0.00 O ATOM 701 OE2 GLU A 373 65.287 3.201 5.153 1.00 0.00 O ATOM 0 H GLU A 373 67.947 2.457 1.679 1.00 0.00 H new ATOM 0 HA GLU A 373 67.002 4.926 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 373 69.400 3.242 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 373 68.799 4.605 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 373 67.034 2.247 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 373 68.050 2.249 5.062 1.00 0.00 H new ATOM 708 N ALA A 374 70.065 5.018 1.351 1.00 0.00 N ATOM 709 CA ALA A 374 71.081 5.913 0.812 1.00 0.00 C ATOM 710 C ALA A 374 70.643 6.495 -0.530 1.00 0.00 C ATOM 711 O ALA A 374 69.675 6.028 -1.131 1.00 0.00 O ATOM 712 CB ALA A 374 72.406 5.178 0.665 1.00 0.00 C ATOM 0 H ALA A 374 70.309 4.029 1.308 1.00 0.00 H new ATOM 0 HA ALA A 374 71.212 6.739 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 374 73.156 5.858 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 374 72.731 4.816 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 374 72.280 4.333 -0.012 1.00 0.00 H new ATOM 718 N PRO A 375 71.352 7.527 -1.020 1.00 0.00 N ATOM 719 CA PRO A 375 71.028 8.169 -2.297 1.00 0.00 C ATOM 720 C PRO A 375 71.349 7.275 -3.490 1.00 0.00 C ATOM 721 O PRO A 375 72.188 6.379 -3.399 1.00 0.00 O ATOM 722 CB PRO A 375 71.919 9.413 -2.306 1.00 0.00 C ATOM 723 CG PRO A 375 73.071 9.059 -1.431 1.00 0.00 C ATOM 724 CD PRO A 375 72.522 8.146 -0.369 1.00 0.00 C ATOM 0 HA PRO A 375 69.964 8.391 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 375 72.249 9.657 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 375 71.386 10.285 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 375 73.857 8.565 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 375 73.513 9.952 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 375 73.254 7.398 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 375 72.238 8.698 0.527 1.00 0.00 H new ATOM 732 N ALA A 376 70.674 7.523 -4.608 1.00 0.00 N ATOM 733 CA ALA A 376 70.887 6.740 -5.819 1.00 0.00 C ATOM 734 C ALA A 376 72.345 6.802 -6.264 1.00 0.00 C ATOM 735 O ALA A 376 72.955 7.871 -6.278 1.00 0.00 O ATOM 736 CB ALA A 376 69.973 7.231 -6.932 1.00 0.00 C ATOM 0 H ALA A 376 69.975 8.260 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 376 70.646 5.700 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 376 70.143 6.638 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 376 68.933 7.129 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 376 70.187 8.279 -7.143 1.00 0.00 H new ATOM 742 N CYS A 377 72.897 5.648 -6.627 1.00 0.00 N ATOM 743 CA CYS A 377 74.282 5.571 -7.072 1.00 0.00 C ATOM 744 C CYS A 377 74.505 6.443 -8.305 1.00 0.00 C ATOM 745 O CYS A 377 74.084 6.095 -9.408 1.00 0.00 O ATOM 746 CB CYS A 377 74.659 4.119 -7.377 1.00 0.00 C ATOM 747 SG CYS A 377 76.134 3.530 -6.483 1.00 0.00 S ATOM 0 H CYS A 377 72.405 4.754 -6.621 1.00 0.00 H new ATOM 0 HA CYS A 377 74.920 5.942 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 377 73.815 3.476 -7.128 1.00 0.00 H new ATOM 0 HB3 CYS A 377 74.832 4.017 -8.448 1.00 0.00 H new ATOM 0 HG CYS A 377 77.152 3.509 -7.291 1.00 0.00 H new