USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 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 Single : A 311 SER OG : rot -33:sc= 0.001 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=-0.053) USER MOD Single : A 319 LYS NZ :NH3+ -170:sc= -1.09 (180deg=-1.7!) USER MOD Single : A 323 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.85!) USER MOD Single : A 332 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.082) USER MOD Single : A 338 GLN :FLIP amide:sc= -4.27! C(o=-9.5!,f=-4.3!) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN :FLIP amide:sc= -7.26! C(o=-9.8!,f=-7.3!) USER MOD Single : A 345 MET CE :methyl -178:sc= -0.163 (180deg=-0.175) USER MOD Single : A 351 MET CE :methyl -154:sc= -0.391 (180deg=-1.54!) USER MOD Single : A 354 HIS : no HE2:sc= -2.74 X(o=-2.7,f=-3.1) USER MOD Single : A 356 TYR OH : rot 120:sc= -2.52! USER MOD Single : A 363 SER OG : rot -76:sc= 0.353 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 30:sc= -0.593 USER MOD Single : A 378 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.1!) USER MOD Single : B 385 THR OG1 : rot 180:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ 170:sc= -1.7 (180deg=-1.99!) USER MOD Single : B 387 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 388 THR OG1 : rot 140:sc= -2.43 USER MOD Single : B 391 LYS NZ :NH3+ -137:sc= -0.0229 (180deg=-1.45) USER MOD Single : B 392 SER OG : rot 150:sc= -0.393 USER MOD Single : B 393 THR OG1 : rot -28:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -1.343 12.238 -15.598 1.00 0.00 N ATOM 2 CA SER A 311 0.018 12.439 -15.023 1.00 0.00 C ATOM 3 C SER A 311 -0.070 12.451 -13.496 1.00 0.00 C ATOM 4 O SER A 311 0.916 12.632 -12.811 1.00 0.00 O ATOM 5 CB SER A 311 0.585 13.773 -15.511 1.00 0.00 C ATOM 6 OG SER A 311 -0.099 14.839 -14.865 1.00 0.00 O ATOM 0 HA SER A 311 0.671 11.627 -15.343 1.00 0.00 H new ATOM 0 HB2 SER A 311 1.652 13.828 -15.297 1.00 0.00 H new ATOM 0 HB3 SER A 311 0.472 13.855 -16.592 1.00 0.00 H new ATOM 0 HG SER A 311 -1.031 14.581 -14.705 1.00 0.00 H new ATOM 14 N GLY A 312 -1.247 12.259 -12.959 1.00 0.00 N ATOM 15 CA GLY A 312 -1.406 12.257 -11.476 1.00 0.00 C ATOM 16 C GLY A 312 -2.096 10.964 -11.038 1.00 0.00 C ATOM 17 O GLY A 312 -2.687 10.265 -11.837 1.00 0.00 O ATOM 0 H GLY A 312 -2.106 12.103 -13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -0.432 12.342 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -1.993 13.120 -11.162 1.00 0.00 H new ATOM 21 N PRO A 313 -2.017 10.653 -9.773 1.00 0.00 N ATOM 22 CA PRO A 313 -2.640 9.424 -9.198 1.00 0.00 C ATOM 23 C PRO A 313 -4.167 9.504 -9.193 1.00 0.00 C ATOM 24 O PRO A 313 -4.853 8.503 -9.126 1.00 0.00 O ATOM 25 CB PRO A 313 -2.110 9.387 -7.764 1.00 0.00 C ATOM 26 CG PRO A 313 -1.804 10.808 -7.437 1.00 0.00 C ATOM 27 CD PRO A 313 -1.331 11.446 -8.743 1.00 0.00 C ATOM 0 HA PRO A 313 -2.395 8.535 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -2.850 8.974 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -1.220 8.762 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -2.686 11.318 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -1.034 10.875 -6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -1.604 12.500 -8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -0.247 11.391 -8.848 1.00 0.00 H new ATOM 35 N SER A 314 -4.703 10.691 -9.256 1.00 0.00 N ATOM 36 CA SER A 314 -6.182 10.840 -9.245 1.00 0.00 C ATOM 37 C SER A 314 -6.777 10.119 -10.453 1.00 0.00 C ATOM 38 O SER A 314 -6.211 10.108 -11.528 1.00 0.00 O ATOM 39 CB SER A 314 -6.546 12.324 -9.308 1.00 0.00 C ATOM 40 OG SER A 314 -5.959 12.998 -8.203 1.00 0.00 O ATOM 0 H SER A 314 -4.179 11.564 -9.315 1.00 0.00 H new ATOM 0 HA SER A 314 -6.583 10.406 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 314 -6.192 12.758 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 314 -7.629 12.446 -9.290 1.00 0.00 H new ATOM 0 HG SER A 314 -6.189 13.950 -8.241 1.00 0.00 H new ATOM 46 N CYS A 315 -7.919 9.516 -10.281 1.00 0.00 N ATOM 47 CA CYS A 315 -8.562 8.792 -11.414 1.00 0.00 C ATOM 48 C CYS A 315 -9.501 9.743 -12.157 1.00 0.00 C ATOM 49 O CYS A 315 -10.561 10.088 -11.671 1.00 0.00 O ATOM 50 CB CYS A 315 -9.376 7.618 -10.875 1.00 0.00 C ATOM 51 SG CYS A 315 -8.495 6.064 -11.159 1.00 0.00 S ATOM 0 H CYS A 315 -8.437 9.493 -9.403 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.790 8.426 -12.091 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -9.558 7.752 -9.809 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -10.350 7.587 -11.363 1.00 0.00 H new ATOM 56 N LYS A 316 -9.132 10.164 -13.334 1.00 0.00 N ATOM 57 CA LYS A 316 -10.016 11.083 -14.102 1.00 0.00 C ATOM 58 C LYS A 316 -11.093 10.263 -14.815 1.00 0.00 C ATOM 59 O LYS A 316 -11.970 10.802 -15.462 1.00 0.00 O ATOM 60 CB LYS A 316 -9.185 11.850 -15.128 1.00 0.00 C ATOM 61 CG LYS A 316 -8.705 10.882 -16.202 1.00 0.00 C ATOM 62 CD LYS A 316 -7.727 11.596 -17.137 1.00 0.00 C ATOM 63 CE LYS A 316 -7.487 10.735 -18.379 1.00 0.00 C ATOM 64 NZ LYS A 316 -6.401 11.341 -19.200 1.00 0.00 N ATOM 0 H LYS A 316 -8.258 9.912 -13.796 1.00 0.00 H new ATOM 0 HA LYS A 316 -10.489 11.793 -13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -9.781 12.645 -15.577 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -8.333 12.326 -14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -8.220 10.022 -15.740 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -9.555 10.502 -16.769 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -8.128 12.567 -17.427 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -6.784 11.781 -16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -7.213 9.722 -18.085 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -8.403 10.660 -18.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -6.237 10.757 -20.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -6.680 12.300 -19.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -5.527 11.390 -18.638 1.00 0.00 H new ATOM 78 N HIS A 317 -11.024 8.962 -14.706 1.00 0.00 N ATOM 79 CA HIS A 317 -12.030 8.097 -15.377 1.00 0.00 C ATOM 80 C HIS A 317 -12.880 7.385 -14.325 1.00 0.00 C ATOM 81 O HIS A 317 -13.971 6.930 -14.605 1.00 0.00 O ATOM 82 CB HIS A 317 -11.310 7.057 -16.238 1.00 0.00 C ATOM 83 CG HIS A 317 -12.323 6.202 -16.946 1.00 0.00 C ATOM 84 ND1 HIS A 317 -13.175 6.712 -17.917 1.00 0.00 N ATOM 85 CD2 HIS A 317 -12.635 4.868 -16.838 1.00 0.00 C ATOM 86 CE1 HIS A 317 -13.950 5.701 -18.350 1.00 0.00 C ATOM 87 NE2 HIS A 317 -13.660 4.559 -17.725 1.00 0.00 N ATOM 0 H HIS A 317 -10.309 8.462 -14.178 1.00 0.00 H new ATOM 0 HA HIS A 317 -12.674 8.711 -16.006 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.667 7.554 -16.964 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -10.667 6.436 -15.615 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -12.158 4.168 -16.168 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -14.712 5.802 -19.109 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -14.099 3.649 -17.868 1.00 0.00 H new ATOM 96 N CYS A 318 -12.384 7.278 -13.119 1.00 0.00 N ATOM 97 CA CYS A 318 -13.158 6.588 -12.051 1.00 0.00 C ATOM 98 C CYS A 318 -13.270 7.486 -10.818 1.00 0.00 C ATOM 99 O CYS A 318 -12.297 8.006 -10.313 1.00 0.00 O ATOM 100 CB CYS A 318 -12.461 5.276 -11.687 1.00 0.00 C ATOM 101 SG CYS A 318 -11.899 5.327 -9.966 1.00 0.00 S ATOM 0 H CYS A 318 -11.475 7.640 -12.830 1.00 0.00 H new ATOM 0 HA CYS A 318 -14.163 6.373 -12.415 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -13.145 4.440 -11.830 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.612 5.110 -12.350 1.00 0.00 H new ATOM 106 N LYS A 319 -14.467 7.669 -10.343 1.00 0.00 N ATOM 107 CA LYS A 319 -14.696 8.529 -9.153 1.00 0.00 C ATOM 108 C LYS A 319 -14.440 7.719 -7.882 1.00 0.00 C ATOM 109 O LYS A 319 -14.692 8.178 -6.787 1.00 0.00 O ATOM 110 CB LYS A 319 -16.146 9.005 -9.161 1.00 0.00 C ATOM 111 CG LYS A 319 -16.490 9.578 -10.537 1.00 0.00 C ATOM 112 CD LYS A 319 -15.660 10.837 -10.803 1.00 0.00 C ATOM 113 CE LYS A 319 -16.222 11.569 -12.023 1.00 0.00 C ATOM 114 NZ LYS A 319 -17.175 10.677 -12.742 1.00 0.00 N ATOM 0 H LYS A 319 -15.311 7.252 -10.736 1.00 0.00 H new ATOM 0 HA LYS A 319 -14.021 9.384 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -16.813 8.176 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -16.295 9.763 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -16.294 8.834 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -17.553 9.816 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -15.682 11.491 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -14.618 10.569 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -16.727 12.483 -11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -15.411 11.864 -12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -17.427 11.103 -13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -16.730 9.751 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -18.034 10.553 -12.169 1.00 0.00 H new ATOM 128 N ASP A 320 -13.969 6.510 -8.028 1.00 0.00 N ATOM 129 CA ASP A 320 -13.713 5.647 -6.838 1.00 0.00 C ATOM 130 C ASP A 320 -15.027 5.407 -6.094 1.00 0.00 C ATOM 131 O ASP A 320 -15.125 5.611 -4.901 1.00 0.00 O ATOM 132 CB ASP A 320 -12.696 6.309 -5.896 1.00 0.00 C ATOM 133 CG ASP A 320 -11.361 6.489 -6.621 1.00 0.00 C ATOM 134 OD1 ASP A 320 -11.078 5.698 -7.503 1.00 0.00 O ATOM 135 OD2 ASP A 320 -10.647 7.418 -6.281 1.00 0.00 O ATOM 0 H ASP A 320 -13.749 6.080 -8.926 1.00 0.00 H new ATOM 0 HA ASP A 320 -13.301 4.696 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -13.072 7.276 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -12.557 5.695 -5.006 1.00 0.00 H new ATOM 140 N ASP A 321 -16.039 4.974 -6.795 1.00 0.00 N ATOM 141 CA ASP A 321 -17.349 4.719 -6.136 1.00 0.00 C ATOM 142 C ASP A 321 -17.153 3.732 -4.985 1.00 0.00 C ATOM 143 O ASP A 321 -16.361 2.815 -5.068 1.00 0.00 O ATOM 144 CB ASP A 321 -18.325 4.114 -7.145 1.00 0.00 C ATOM 145 CG ASP A 321 -19.744 4.164 -6.577 1.00 0.00 C ATOM 146 OD1 ASP A 321 -19.915 4.731 -5.510 1.00 0.00 O ATOM 147 OD2 ASP A 321 -20.637 3.636 -7.220 1.00 0.00 O ATOM 0 H ASP A 321 -16.014 4.786 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 321 -17.749 5.660 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -18.279 4.663 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.046 3.083 -7.364 1.00 0.00 H new ATOM 152 N VAL A 322 -17.869 3.915 -3.914 1.00 0.00 N ATOM 153 CA VAL A 322 -17.729 2.992 -2.756 1.00 0.00 C ATOM 154 C VAL A 322 -18.124 1.572 -3.166 1.00 0.00 C ATOM 155 O VAL A 322 -17.546 0.603 -2.715 1.00 0.00 O ATOM 156 CB VAL A 322 -18.644 3.460 -1.624 1.00 0.00 C ATOM 157 CG1 VAL A 322 -18.639 2.422 -0.501 1.00 0.00 C ATOM 158 CG2 VAL A 322 -18.144 4.800 -1.082 1.00 0.00 C ATOM 0 H VAL A 322 -18.548 4.666 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 322 -16.691 2.994 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 322 -19.658 3.579 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -19.291 2.756 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -18.998 1.467 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -17.624 2.302 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -18.797 5.133 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -17.129 4.683 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -18.149 5.541 -1.882 1.00 0.00 H new ATOM 168 N ASN A 323 -19.116 1.438 -4.000 1.00 0.00 N ATOM 169 CA ASN A 323 -19.559 0.080 -4.415 1.00 0.00 C ATOM 170 C ASN A 323 -18.740 -0.407 -5.612 1.00 0.00 C ATOM 171 O ASN A 323 -18.448 -1.581 -5.730 1.00 0.00 O ATOM 172 CB ASN A 323 -21.039 0.127 -4.791 1.00 0.00 C ATOM 173 CG ASN A 323 -21.636 -1.277 -4.683 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.915 -2.252 -4.612 1.00 0.00 O ATOM 175 ND2 ASN A 323 -22.931 -1.419 -4.660 1.00 0.00 N ATOM 0 H ASN A 323 -19.639 2.211 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.409 -0.612 -3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -21.571 0.812 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -21.156 0.507 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -23.341 -2.350 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -23.535 -0.599 -4.720 1.00 0.00 H new ATOM 182 N ARG A 324 -18.376 0.477 -6.505 1.00 0.00 N ATOM 183 CA ARG A 324 -17.588 0.046 -7.698 1.00 0.00 C ATOM 184 C ARG A 324 -16.188 0.662 -7.650 1.00 0.00 C ATOM 185 O ARG A 324 -16.012 1.847 -7.852 1.00 0.00 O ATOM 186 CB ARG A 324 -18.302 0.512 -8.968 1.00 0.00 C ATOM 187 CG ARG A 324 -19.684 -0.134 -9.045 1.00 0.00 C ATOM 188 CD ARG A 324 -20.348 0.233 -10.373 1.00 0.00 C ATOM 189 NE ARG A 324 -21.769 -0.219 -10.360 1.00 0.00 N ATOM 190 CZ ARG A 324 -22.572 0.125 -11.330 1.00 0.00 C ATOM 191 NH1 ARG A 324 -22.131 0.865 -12.311 1.00 0.00 N ATOM 192 NH2 ARG A 324 -23.815 -0.270 -11.318 1.00 0.00 N ATOM 0 H ARG A 324 -18.589 1.474 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 324 -17.501 -1.041 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -18.397 1.598 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -17.715 0.244 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -19.596 -1.217 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -20.301 0.204 -8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -20.299 1.310 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -19.814 -0.235 -11.200 1.00 0.00 H new ATOM 0 HE ARG A 324 -22.113 -0.797 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -21.159 1.174 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -22.758 1.134 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -24.159 -0.847 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -24.443 -0.001 -12.076 1.00 0.00 H new ATOM 206 N LEU A 325 -15.188 -0.139 -7.394 1.00 0.00 N ATOM 207 CA LEU A 325 -13.797 0.393 -7.346 1.00 0.00 C ATOM 208 C LEU A 325 -13.073 0.002 -8.641 1.00 0.00 C ATOM 209 O LEU A 325 -13.121 -1.136 -9.065 1.00 0.00 O ATOM 210 CB LEU A 325 -13.063 -0.206 -6.144 1.00 0.00 C ATOM 211 CG LEU A 325 -12.068 0.815 -5.585 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.278 0.183 -4.439 1.00 0.00 C ATOM 213 CD2 LEU A 325 -11.104 1.253 -6.689 1.00 0.00 C ATOM 0 H LEU A 325 -15.276 -1.140 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 325 -13.816 1.478 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.779 -0.490 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.538 -1.114 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 325 -12.612 1.684 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.570 0.910 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.964 -0.124 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -10.736 -0.688 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -10.397 1.980 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -10.560 0.385 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -11.667 1.707 -7.505 1.00 0.00 H new ATOM 225 N CYS A 326 -12.410 0.930 -9.277 1.00 0.00 N ATOM 226 CA CYS A 326 -11.697 0.597 -10.544 1.00 0.00 C ATOM 227 C CYS A 326 -10.417 -0.180 -10.234 1.00 0.00 C ATOM 228 O CYS A 326 -10.276 -0.760 -9.178 1.00 0.00 O ATOM 229 CB CYS A 326 -11.345 1.889 -11.285 1.00 0.00 C ATOM 230 SG CYS A 326 -9.676 2.432 -10.836 1.00 0.00 S ATOM 0 H CYS A 326 -12.331 1.901 -8.975 1.00 0.00 H new ATOM 0 HA CYS A 326 -12.345 -0.018 -11.169 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.406 1.728 -12.361 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -12.067 2.667 -11.038 1.00 0.00 H new ATOM 235 N ARG A 327 -9.487 -0.193 -11.153 1.00 0.00 N ATOM 236 CA ARG A 327 -8.211 -0.923 -10.923 1.00 0.00 C ATOM 237 C ARG A 327 -7.031 0.035 -11.125 1.00 0.00 C ATOM 238 O ARG A 327 -5.904 -0.276 -10.793 1.00 0.00 O ATOM 239 CB ARG A 327 -8.110 -2.083 -11.915 1.00 0.00 C ATOM 240 CG ARG A 327 -9.229 -3.087 -11.634 1.00 0.00 C ATOM 241 CD ARG A 327 -9.077 -4.298 -12.556 1.00 0.00 C ATOM 242 NE ARG A 327 -10.235 -5.216 -12.361 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.595 -6.025 -13.319 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.940 -6.033 -14.448 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.609 -6.828 -13.147 1.00 0.00 N ATOM 0 H ARG A 327 -9.560 0.274 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 327 -8.187 -1.312 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -8.188 -1.711 -12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -7.139 -2.569 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.193 -3.404 -10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -10.200 -2.618 -11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -9.027 -3.974 -13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.145 -4.819 -12.339 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.746 -5.212 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.146 -5.407 -14.582 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.222 -6.666 -15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.120 -6.823 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.891 -7.461 -13.896 1.00 0.00 H new ATOM 259 N VAL A 328 -7.279 1.198 -11.669 1.00 0.00 N ATOM 260 CA VAL A 328 -6.171 2.173 -11.891 1.00 0.00 C ATOM 261 C VAL A 328 -5.684 2.726 -10.551 1.00 0.00 C ATOM 262 O VAL A 328 -4.503 2.741 -10.267 1.00 0.00 O ATOM 263 CB VAL A 328 -6.670 3.326 -12.763 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.601 4.417 -12.826 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.955 2.809 -14.175 1.00 0.00 C ATOM 0 H VAL A 328 -8.201 1.514 -11.969 1.00 0.00 H new ATOM 0 HA VAL A 328 -5.346 1.665 -12.391 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.584 3.738 -12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.956 5.239 -13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.396 4.784 -11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.687 4.006 -13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -7.311 3.630 -14.798 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -6.041 2.398 -14.603 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -7.717 2.031 -14.131 1.00 0.00 H new ATOM 275 N CYS A 329 -6.585 3.178 -9.723 1.00 0.00 N ATOM 276 CA CYS A 329 -6.171 3.725 -8.401 1.00 0.00 C ATOM 277 C CYS A 329 -6.314 2.632 -7.346 1.00 0.00 C ATOM 278 O CYS A 329 -6.190 2.877 -6.162 1.00 0.00 O ATOM 279 CB CYS A 329 -7.053 4.923 -8.028 1.00 0.00 C ATOM 280 SG CYS A 329 -8.778 4.396 -7.867 1.00 0.00 S ATOM 0 H CYS A 329 -7.589 3.192 -9.905 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.134 4.056 -8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -6.709 5.361 -7.091 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -6.970 5.697 -8.791 1.00 0.00 H new ATOM 285 N ALA A 330 -6.578 1.425 -7.774 1.00 0.00 N ATOM 286 CA ALA A 330 -6.738 0.304 -6.808 1.00 0.00 C ATOM 287 C ALA A 330 -5.603 -0.710 -7.003 1.00 0.00 C ATOM 288 O ALA A 330 -4.535 -0.562 -6.446 1.00 0.00 O ATOM 289 CB ALA A 330 -8.094 -0.368 -7.046 1.00 0.00 C ATOM 0 H ALA A 330 -6.690 1.169 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.696 0.684 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.221 -1.191 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.892 0.360 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.136 -0.752 -8.065 1.00 0.00 H new ATOM 295 N CYS A 331 -5.820 -1.734 -7.786 1.00 0.00 N ATOM 296 CA CYS A 331 -4.751 -2.751 -8.007 1.00 0.00 C ATOM 297 C CYS A 331 -4.575 -2.988 -9.505 1.00 0.00 C ATOM 298 O CYS A 331 -5.440 -2.677 -10.298 1.00 0.00 O ATOM 299 CB CYS A 331 -5.156 -4.071 -7.352 1.00 0.00 C ATOM 300 SG CYS A 331 -3.749 -4.782 -6.463 1.00 0.00 S ATOM 0 H CYS A 331 -6.693 -1.910 -8.283 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.820 -2.388 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.985 -3.905 -6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.507 -4.770 -8.111 1.00 0.00 H new ATOM 305 N HIS A 332 -3.465 -3.543 -9.896 1.00 0.00 N ATOM 306 CA HIS A 332 -3.236 -3.811 -11.340 1.00 0.00 C ATOM 307 C HIS A 332 -4.311 -4.770 -11.862 1.00 0.00 C ATOM 308 O HIS A 332 -4.763 -4.653 -12.982 1.00 0.00 O ATOM 309 CB HIS A 332 -1.853 -4.438 -11.531 1.00 0.00 C ATOM 310 CG HIS A 332 -1.562 -4.577 -13.000 1.00 0.00 C ATOM 311 ND1 HIS A 332 -1.508 -3.481 -13.851 1.00 0.00 N ATOM 312 CD2 HIS A 332 -1.304 -5.675 -13.786 1.00 0.00 C ATOM 313 CE1 HIS A 332 -1.226 -3.939 -15.085 1.00 0.00 C ATOM 314 NE2 HIS A 332 -1.093 -5.265 -15.097 1.00 0.00 N ATOM 0 H HIS A 332 -2.705 -3.823 -9.277 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.289 -2.874 -11.894 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.093 -3.818 -11.056 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.815 -5.415 -11.048 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.271 -6.697 -13.439 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -1.121 -3.310 -15.957 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -0.881 -5.856 -15.901 1.00 0.00 H new ATOM 323 N LEU A 333 -4.717 -5.725 -11.060 1.00 0.00 N ATOM 324 CA LEU A 333 -5.753 -6.700 -11.521 1.00 0.00 C ATOM 325 C LEU A 333 -6.857 -6.850 -10.469 1.00 0.00 C ATOM 326 O LEU A 333 -7.960 -6.368 -10.638 1.00 0.00 O ATOM 327 CB LEU A 333 -5.096 -8.064 -11.751 1.00 0.00 C ATOM 328 CG LEU A 333 -3.976 -7.932 -12.785 1.00 0.00 C ATOM 329 CD1 LEU A 333 -3.253 -9.272 -12.925 1.00 0.00 C ATOM 330 CD2 LEU A 333 -4.571 -7.540 -14.142 1.00 0.00 C ATOM 0 H LEU A 333 -4.377 -5.871 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.193 -6.331 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.694 -8.447 -10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.839 -8.782 -12.096 1.00 0.00 H new ATOM 0 HG LEU A 333 -3.274 -7.165 -12.458 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.455 -9.180 -13.661 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.828 -9.558 -11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.960 -10.035 -13.251 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.771 -7.447 -14.877 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -5.274 -8.307 -14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -5.092 -6.587 -14.049 1.00 0.00 H new ATOM 342 N CYS A 334 -6.578 -7.537 -9.395 1.00 0.00 N ATOM 343 CA CYS A 334 -7.618 -7.746 -8.343 1.00 0.00 C ATOM 344 C CYS A 334 -8.114 -6.396 -7.809 1.00 0.00 C ATOM 345 O CYS A 334 -7.361 -5.600 -7.296 1.00 0.00 O ATOM 346 CB CYS A 334 -7.026 -8.586 -7.201 1.00 0.00 C ATOM 347 SG CYS A 334 -6.289 -7.513 -5.941 1.00 0.00 S ATOM 0 H CYS A 334 -5.673 -7.964 -9.199 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.466 -8.275 -8.776 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.806 -9.201 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.271 -9.266 -7.595 1.00 0.00 H new ATOM 352 N GLY A 335 -9.385 -6.131 -7.927 1.00 0.00 N ATOM 353 CA GLY A 335 -9.916 -4.833 -7.422 1.00 0.00 C ATOM 354 C GLY A 335 -9.520 -4.665 -5.956 1.00 0.00 C ATOM 355 O GLY A 335 -9.713 -5.551 -5.147 1.00 0.00 O ATOM 0 H GLY A 335 -10.076 -6.752 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.520 -4.009 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -11.001 -4.806 -7.524 1.00 0.00 H new ATOM 359 N GLY A 336 -8.967 -3.537 -5.605 1.00 0.00 N ATOM 360 CA GLY A 336 -8.560 -3.321 -4.187 1.00 0.00 C ATOM 361 C GLY A 336 -9.786 -3.451 -3.285 1.00 0.00 C ATOM 362 O GLY A 336 -10.718 -2.677 -3.373 1.00 0.00 O ATOM 0 H GLY A 336 -8.780 -2.758 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.803 -4.050 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -8.112 -2.334 -4.071 1.00 0.00 H new ATOM 366 N ARG A 337 -9.796 -4.426 -2.417 1.00 0.00 N ATOM 367 CA ARG A 337 -10.966 -4.598 -1.513 1.00 0.00 C ATOM 368 C ARG A 337 -10.628 -5.609 -0.415 1.00 0.00 C ATOM 369 O ARG A 337 -11.120 -5.523 0.692 1.00 0.00 O ATOM 370 CB ARG A 337 -12.165 -5.102 -2.321 1.00 0.00 C ATOM 371 CG ARG A 337 -13.404 -5.141 -1.425 1.00 0.00 C ATOM 372 CD ARG A 337 -14.620 -5.568 -2.250 1.00 0.00 C ATOM 373 NE ARG A 337 -14.477 -7.000 -2.639 1.00 0.00 N ATOM 374 CZ ARG A 337 -15.399 -7.573 -3.364 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.445 -6.893 -3.748 1.00 0.00 N ATOM 376 NH2 ARG A 337 -15.275 -8.826 -3.704 1.00 0.00 N ATOM 0 H ARG A 337 -9.047 -5.108 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 337 -11.211 -3.640 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.342 -4.449 -3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.958 -6.096 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -13.248 -5.838 -0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.577 -4.159 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -15.533 -5.426 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.706 -4.945 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 337 -13.660 -7.531 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -16.542 -5.913 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -17.165 -7.341 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -14.458 -9.358 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -15.995 -9.274 -4.270 1.00 0.00 H new ATOM 390 N GLN A 338 -9.795 -6.571 -0.711 1.00 0.00 N ATOM 391 CA GLN A 338 -9.435 -7.585 0.321 1.00 0.00 C ATOM 392 C GLN A 338 -8.415 -6.987 1.289 1.00 0.00 C ATOM 393 O GLN A 338 -8.710 -6.738 2.441 1.00 0.00 O ATOM 394 CB GLN A 338 -8.826 -8.822 -0.351 1.00 0.00 C ATOM 395 CG GLN A 338 -8.483 -8.508 -1.809 1.00 0.00 C ATOM 396 CD GLN A 338 -9.769 -8.335 -2.616 1.00 0.00 C ATOM 397 OE1 GLN A 338 -9.972 -7.219 -3.258 1.00 0.00 O flip ATOM 398 NE2 GLN A 338 -10.597 -9.223 -2.662 1.00 0.00 N flip ATOM 0 H GLN A 338 -9.350 -6.698 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.335 -7.875 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.928 -9.132 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -9.528 -9.654 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -7.883 -7.600 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -7.882 -9.313 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -10.437 -10.096 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -11.452 -9.096 -3.203 1.00 0.00 H new ATOM 407 N ASP A 339 -7.217 -6.759 0.825 1.00 0.00 N ATOM 408 CA ASP A 339 -6.166 -6.178 1.710 1.00 0.00 C ATOM 409 C ASP A 339 -5.572 -4.934 1.045 1.00 0.00 C ATOM 410 O ASP A 339 -4.386 -4.863 0.790 1.00 0.00 O ATOM 411 CB ASP A 339 -5.064 -7.217 1.925 1.00 0.00 C ATOM 412 CG ASP A 339 -4.278 -7.408 0.625 1.00 0.00 C ATOM 413 OD1 ASP A 339 -4.731 -6.916 -0.395 1.00 0.00 O ATOM 414 OD2 ASP A 339 -3.238 -8.043 0.673 1.00 0.00 O ATOM 0 H ASP A 339 -6.919 -6.950 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.603 -5.901 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -4.395 -6.893 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.500 -8.165 2.241 1.00 0.00 H new ATOM 419 N PRO A 340 -6.395 -3.958 0.772 1.00 0.00 N ATOM 420 CA PRO A 340 -5.953 -2.687 0.125 1.00 0.00 C ATOM 421 C PRO A 340 -4.979 -1.893 1.002 1.00 0.00 C ATOM 422 O PRO A 340 -4.149 -1.154 0.513 1.00 0.00 O ATOM 423 CB PRO A 340 -7.250 -1.897 -0.077 1.00 0.00 C ATOM 424 CG PRO A 340 -8.250 -2.504 0.849 1.00 0.00 C ATOM 425 CD PRO A 340 -7.838 -3.959 1.048 1.00 0.00 C ATOM 0 HA PRO A 340 -5.415 -2.881 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.102 -0.840 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.588 -1.960 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.268 -1.973 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.254 -2.440 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.051 -4.300 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.374 -4.623 0.370 1.00 0.00 H new ATOM 433 N ASP A 341 -5.085 -2.035 2.293 1.00 0.00 N ATOM 434 CA ASP A 341 -4.177 -1.285 3.204 1.00 0.00 C ATOM 435 C ASP A 341 -2.726 -1.720 2.981 1.00 0.00 C ATOM 436 O ASP A 341 -1.803 -0.956 3.183 1.00 0.00 O ATOM 437 CB ASP A 341 -4.571 -1.565 4.656 1.00 0.00 C ATOM 438 CG ASP A 341 -3.768 -0.657 5.588 1.00 0.00 C ATOM 439 OD1 ASP A 341 -4.182 0.475 5.783 1.00 0.00 O ATOM 440 OD2 ASP A 341 -2.753 -1.108 6.093 1.00 0.00 O ATOM 0 H ASP A 341 -5.763 -2.639 2.758 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.265 -0.219 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -5.638 -1.392 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.383 -2.611 4.899 1.00 0.00 H new ATOM 445 N LYS A 342 -2.512 -2.943 2.585 1.00 0.00 N ATOM 446 CA LYS A 342 -1.116 -3.421 2.374 1.00 0.00 C ATOM 447 C LYS A 342 -0.716 -3.288 0.903 1.00 0.00 C ATOM 448 O LYS A 342 0.266 -3.857 0.477 1.00 0.00 O ATOM 449 CB LYS A 342 -1.010 -4.889 2.791 1.00 0.00 C ATOM 450 CG LYS A 342 -1.383 -5.025 4.268 1.00 0.00 C ATOM 451 CD LYS A 342 -1.165 -6.471 4.720 1.00 0.00 C ATOM 452 CE LYS A 342 -1.661 -6.639 6.157 1.00 0.00 C ATOM 453 NZ LYS A 342 -2.977 -7.338 6.150 1.00 0.00 N ATOM 0 H LYS A 342 -3.241 -3.632 2.398 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.446 -2.810 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.673 -5.501 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.004 -5.253 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.776 -4.349 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.424 -4.739 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.698 -7.154 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.107 -6.727 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -0.937 -7.210 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -1.757 -5.665 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -3.315 -7.452 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -3.665 -6.776 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -2.871 -8.274 5.709 1.00 0.00 H new ATOM 467 N GLN A 343 -1.457 -2.554 0.116 1.00 0.00 N ATOM 468 CA GLN A 343 -1.082 -2.420 -1.323 1.00 0.00 C ATOM 469 C GLN A 343 -0.051 -1.301 -1.485 1.00 0.00 C ATOM 470 O GLN A 343 -0.192 -0.231 -0.927 1.00 0.00 O ATOM 471 CB GLN A 343 -2.316 -2.086 -2.160 1.00 0.00 C ATOM 472 CG GLN A 343 -1.944 -2.174 -3.643 1.00 0.00 C ATOM 473 CD GLN A 343 -3.063 -1.575 -4.490 1.00 0.00 C ATOM 474 OE1 GLN A 343 -3.929 -2.367 -5.061 1.00 0.00 O flip ATOM 475 NE2 GLN A 343 -3.153 -0.372 -4.632 1.00 0.00 N flip ATOM 0 H GLN A 343 -2.295 -2.047 0.401 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.659 -3.365 -1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.126 -2.779 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.676 -1.086 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -1.011 -1.641 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.778 -3.214 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -2.476 0.246 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -3.906 0.020 -5.198 1.00 0.00 H new ATOM 484 N LEU A 344 0.986 -1.544 -2.245 1.00 0.00 N ATOM 485 CA LEU A 344 2.030 -0.497 -2.442 1.00 0.00 C ATOM 486 C LEU A 344 1.950 0.077 -3.859 1.00 0.00 C ATOM 487 O LEU A 344 1.884 -0.651 -4.838 1.00 0.00 O ATOM 488 CB LEU A 344 3.419 -1.103 -2.222 1.00 0.00 C ATOM 489 CG LEU A 344 4.494 -0.031 -2.430 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.298 1.105 -1.427 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.874 -0.655 -2.223 1.00 0.00 C ATOM 0 H LEU A 344 1.154 -2.422 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 344 1.858 0.303 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.491 -1.512 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.579 -1.930 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 344 4.414 0.366 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.066 1.863 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.314 1.551 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.374 0.712 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.642 0.104 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.945 -1.052 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 344 6.020 -1.462 -2.941 1.00 0.00 H new ATOM 503 N MET A 345 1.977 1.382 -3.968 1.00 0.00 N ATOM 504 CA MET A 345 1.926 2.035 -5.305 1.00 0.00 C ATOM 505 C MET A 345 3.228 2.806 -5.541 1.00 0.00 C ATOM 506 O MET A 345 3.779 3.401 -4.638 1.00 0.00 O ATOM 507 CB MET A 345 0.740 3.001 -5.370 1.00 0.00 C ATOM 508 CG MET A 345 0.648 3.593 -6.781 1.00 0.00 C ATOM 509 SD MET A 345 -0.651 4.853 -6.835 1.00 0.00 S ATOM 510 CE MET A 345 -2.057 3.729 -7.029 1.00 0.00 C ATOM 0 H MET A 345 2.033 2.025 -3.179 1.00 0.00 H new ATOM 0 HA MET A 345 1.806 1.272 -6.074 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.184 2.479 -5.121 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.864 3.797 -4.636 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.605 4.032 -7.064 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.433 2.805 -7.503 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.976 4.308 -7.120 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.918 3.124 -7.925 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.124 3.077 -6.158 1.00 0.00 H new ATOM 520 N CYS A 346 3.724 2.799 -6.747 1.00 0.00 N ATOM 521 CA CYS A 346 4.991 3.532 -7.038 1.00 0.00 C ATOM 522 C CYS A 346 4.663 4.997 -7.338 1.00 0.00 C ATOM 523 O CYS A 346 3.797 5.297 -8.133 1.00 0.00 O ATOM 524 CB CYS A 346 5.676 2.882 -8.242 1.00 0.00 C ATOM 525 SG CYS A 346 6.831 4.047 -9.008 1.00 0.00 S ATOM 0 H CYS A 346 3.308 2.318 -7.544 1.00 0.00 H new ATOM 0 HA CYS A 346 5.662 3.487 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.209 1.985 -7.926 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.928 2.569 -8.970 1.00 0.00 H new ATOM 530 N ASP A 347 5.329 5.917 -6.696 1.00 0.00 N ATOM 531 CA ASP A 347 5.026 7.357 -6.940 1.00 0.00 C ATOM 532 C ASP A 347 5.153 7.672 -8.431 1.00 0.00 C ATOM 533 O ASP A 347 4.355 8.392 -8.997 1.00 0.00 O ATOM 534 CB ASP A 347 6.020 8.228 -6.168 1.00 0.00 C ATOM 535 CG ASP A 347 5.412 9.614 -5.930 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.267 9.814 -6.310 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.100 10.452 -5.371 1.00 0.00 O ATOM 0 H ASP A 347 6.067 5.736 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 347 4.009 7.564 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 347 6.266 7.759 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.951 8.319 -6.728 1.00 0.00 H new ATOM 542 N GLU A 348 6.161 7.148 -9.061 1.00 0.00 N ATOM 543 CA GLU A 348 6.371 7.417 -10.508 1.00 0.00 C ATOM 544 C GLU A 348 5.284 6.746 -11.357 1.00 0.00 C ATOM 545 O GLU A 348 4.929 7.236 -12.410 1.00 0.00 O ATOM 546 CB GLU A 348 7.742 6.878 -10.911 1.00 0.00 C ATOM 547 CG GLU A 348 8.842 7.700 -10.232 1.00 0.00 C ATOM 548 CD GLU A 348 8.788 9.146 -10.729 1.00 0.00 C ATOM 549 OE1 GLU A 348 8.168 9.376 -11.754 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.368 9.997 -10.075 1.00 0.00 O ATOM 0 H GLU A 348 6.857 6.538 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 348 6.318 8.492 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.829 5.830 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.857 6.924 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.714 7.672 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 348 9.819 7.267 -10.449 1.00 0.00 H new ATOM 557 N CYS A 349 4.768 5.625 -10.923 1.00 0.00 N ATOM 558 CA CYS A 349 3.720 4.922 -11.729 1.00 0.00 C ATOM 559 C CYS A 349 2.438 4.760 -10.911 1.00 0.00 C ATOM 560 O CYS A 349 2.468 4.430 -9.744 1.00 0.00 O ATOM 561 CB CYS A 349 4.237 3.539 -12.129 1.00 0.00 C ATOM 562 SG CYS A 349 5.958 3.670 -12.670 1.00 0.00 S ATOM 0 H CYS A 349 5.024 5.166 -10.049 1.00 0.00 H new ATOM 0 HA CYS A 349 3.501 5.514 -12.618 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.161 2.853 -11.285 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.623 3.128 -12.930 1.00 0.00 H new ATOM 567 N ASP A 350 1.305 4.974 -11.522 1.00 0.00 N ATOM 568 CA ASP A 350 0.021 4.822 -10.783 1.00 0.00 C ATOM 569 C ASP A 350 -0.304 3.336 -10.653 1.00 0.00 C ATOM 570 O ASP A 350 -1.424 2.948 -10.384 1.00 0.00 O ATOM 571 CB ASP A 350 -1.101 5.531 -11.543 1.00 0.00 C ATOM 572 CG ASP A 350 -0.846 7.040 -11.538 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.001 7.474 -10.776 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.503 7.734 -12.297 1.00 0.00 O ATOM 0 H ASP A 350 1.213 5.247 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 350 0.113 5.267 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.150 5.163 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.063 5.312 -11.080 1.00 0.00 H new ATOM 579 N MET A 351 0.679 2.505 -10.840 1.00 0.00 N ATOM 580 CA MET A 351 0.460 1.036 -10.731 1.00 0.00 C ATOM 581 C MET A 351 1.043 0.535 -9.411 1.00 0.00 C ATOM 582 O MET A 351 1.904 1.165 -8.825 1.00 0.00 O ATOM 583 CB MET A 351 1.158 0.329 -11.895 1.00 0.00 C ATOM 584 CG MET A 351 0.431 0.654 -13.200 1.00 0.00 C ATOM 585 SD MET A 351 1.147 -0.319 -14.548 1.00 0.00 S ATOM 586 CE MET A 351 2.829 0.337 -14.431 1.00 0.00 C ATOM 0 H MET A 351 1.634 2.782 -11.066 1.00 0.00 H new ATOM 0 HA MET A 351 -0.608 0.823 -10.764 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.198 0.648 -11.957 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.164 -0.748 -11.729 1.00 0.00 H new ATOM 0 HG2 MET A 351 -0.632 0.432 -13.102 1.00 0.00 H new ATOM 0 HG3 MET A 351 0.515 1.718 -13.421 1.00 0.00 H new ATOM 0 HE1 MET A 351 3.321 0.253 -15.400 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.791 1.385 -14.133 1.00 0.00 H new ATOM 0 HE3 MET A 351 3.390 -0.231 -13.689 1.00 0.00 H new ATOM 596 N ALA A 352 0.584 -0.595 -8.940 1.00 0.00 N ATOM 597 CA ALA A 352 1.115 -1.138 -7.658 1.00 0.00 C ATOM 598 C ALA A 352 1.635 -2.552 -7.873 1.00 0.00 C ATOM 599 O ALA A 352 1.689 -3.042 -8.985 1.00 0.00 O ATOM 600 CB ALA A 352 0.004 -1.153 -6.606 1.00 0.00 C ATOM 0 H ALA A 352 -0.135 -1.164 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 352 1.932 -0.505 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.395 -1.551 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.359 -0.138 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.817 -1.781 -6.952 1.00 0.00 H new ATOM 606 N PHE A 353 2.040 -3.202 -6.817 1.00 0.00 N ATOM 607 CA PHE A 353 2.584 -4.581 -6.958 1.00 0.00 C ATOM 608 C PHE A 353 1.649 -5.603 -6.312 1.00 0.00 C ATOM 609 O PHE A 353 1.240 -5.463 -5.177 1.00 0.00 O ATOM 610 CB PHE A 353 3.954 -4.639 -6.287 1.00 0.00 C ATOM 611 CG PHE A 353 4.883 -3.696 -7.007 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.943 -2.349 -6.631 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.675 -4.166 -8.058 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.799 -1.473 -7.307 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.532 -3.290 -8.734 1.00 0.00 C ATOM 616 CZ PHE A 353 6.594 -1.943 -8.358 1.00 0.00 C ATOM 0 H PHE A 353 2.018 -2.838 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 353 2.672 -4.824 -8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.873 -4.361 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.348 -5.655 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.329 -1.986 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.626 -5.205 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.846 -0.434 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.145 -3.653 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.255 -1.267 -8.879 1.00 0.00 H new ATOM 626 N HIS A 354 1.327 -6.642 -7.032 1.00 0.00 N ATOM 627 CA HIS A 354 0.438 -7.698 -6.477 1.00 0.00 C ATOM 628 C HIS A 354 1.194 -8.469 -5.395 1.00 0.00 C ATOM 629 O HIS A 354 0.774 -9.522 -4.956 1.00 0.00 O ATOM 630 CB HIS A 354 0.034 -8.657 -7.596 1.00 0.00 C ATOM 631 CG HIS A 354 -1.440 -8.527 -7.866 1.00 0.00 C ATOM 632 ND1 HIS A 354 -2.216 -9.605 -8.259 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.293 -7.454 -7.801 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.477 -9.162 -8.415 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.579 -7.857 -8.148 1.00 0.00 N ATOM 0 H HIS A 354 1.645 -6.805 -7.988 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.455 -7.243 -6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.600 -8.435 -8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.273 -9.682 -7.314 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -1.891 -10.561 -8.404 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.009 -6.450 -7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -4.305 -9.785 -8.719 1.00 0.00 H new ATOM 643 N ILE A 355 2.315 -7.956 -4.971 1.00 0.00 N ATOM 644 CA ILE A 355 3.114 -8.658 -3.927 1.00 0.00 C ATOM 645 C ILE A 355 2.212 -9.011 -2.740 1.00 0.00 C ATOM 646 O ILE A 355 2.418 -10.000 -2.066 1.00 0.00 O ATOM 647 CB ILE A 355 4.261 -7.739 -3.475 1.00 0.00 C ATOM 648 CG1 ILE A 355 5.145 -8.469 -2.456 1.00 0.00 C ATOM 649 CG2 ILE A 355 3.701 -6.455 -2.858 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.775 -8.051 -1.028 1.00 0.00 C ATOM 0 H ILE A 355 2.714 -7.078 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 355 3.531 -9.580 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 355 4.863 -7.475 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 355 5.026 -9.547 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 355 6.194 -8.243 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 355 4.524 -5.814 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 355 3.095 -5.930 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 355 3.084 -6.705 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.412 -8.578 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 355 4.918 -6.976 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.732 -8.301 -0.835 1.00 0.00 H new ATOM 662 N TYR A 356 1.215 -8.212 -2.479 1.00 0.00 N ATOM 663 CA TYR A 356 0.305 -8.503 -1.340 1.00 0.00 C ATOM 664 C TYR A 356 -0.778 -9.495 -1.775 1.00 0.00 C ATOM 665 O TYR A 356 -1.265 -10.282 -0.988 1.00 0.00 O ATOM 666 CB TYR A 356 -0.350 -7.202 -0.886 1.00 0.00 C ATOM 667 CG TYR A 356 0.724 -6.185 -0.591 1.00 0.00 C ATOM 668 CD1 TYR A 356 1.410 -6.218 0.629 1.00 0.00 C ATOM 669 CD2 TYR A 356 1.040 -5.210 -1.545 1.00 0.00 C ATOM 670 CE1 TYR A 356 2.411 -5.276 0.896 1.00 0.00 C ATOM 671 CE2 TYR A 356 2.042 -4.271 -1.280 1.00 0.00 C ATOM 672 CZ TYR A 356 2.728 -4.303 -0.059 1.00 0.00 C ATOM 673 OH TYR A 356 3.715 -3.375 0.202 1.00 0.00 O ATOM 0 H TYR A 356 0.992 -7.369 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 356 0.876 -8.939 -0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.019 -6.828 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -0.957 -7.377 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 356 1.167 -6.970 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 356 0.510 -5.183 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 356 2.938 -5.300 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 356 2.287 -3.521 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 356 4.425 -3.455 -0.469 1.00 0.00 H new ATOM 683 N CYS A 357 -1.171 -9.453 -3.020 1.00 0.00 N ATOM 684 CA CYS A 357 -2.233 -10.379 -3.502 1.00 0.00 C ATOM 685 C CYS A 357 -1.633 -11.755 -3.801 1.00 0.00 C ATOM 686 O CYS A 357 -2.112 -12.768 -3.330 1.00 0.00 O ATOM 687 CB CYS A 357 -2.853 -9.804 -4.777 1.00 0.00 C ATOM 688 SG CYS A 357 -2.771 -7.995 -4.726 1.00 0.00 S ATOM 0 H CYS A 357 -0.801 -8.815 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.997 -10.487 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.323 -10.178 -5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.889 -10.129 -4.869 1.00 0.00 H new ATOM 693 N LEU A 358 -0.597 -11.796 -4.585 1.00 0.00 N ATOM 694 CA LEU A 358 0.038 -13.099 -4.930 1.00 0.00 C ATOM 695 C LEU A 358 0.706 -13.708 -3.696 1.00 0.00 C ATOM 696 O LEU A 358 0.716 -14.909 -3.513 1.00 0.00 O ATOM 697 CB LEU A 358 1.093 -12.863 -6.008 1.00 0.00 C ATOM 698 CG LEU A 358 0.410 -12.545 -7.343 1.00 0.00 C ATOM 699 CD1 LEU A 358 1.432 -11.937 -8.305 1.00 0.00 C ATOM 700 CD2 LEU A 358 -0.163 -13.827 -7.961 1.00 0.00 C ATOM 0 H LEU A 358 -0.157 -10.978 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 358 -0.726 -13.787 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 358 1.745 -12.039 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 358 1.723 -13.746 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 358 -0.401 -11.838 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 358 0.948 -11.710 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 358 1.835 -11.020 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.242 -12.647 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 358 -0.646 -13.590 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 358 0.643 -14.540 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 358 -0.894 -14.264 -7.281 1.00 0.00 H new ATOM 712 N ASP A 359 1.273 -12.892 -2.860 1.00 0.00 N ATOM 713 CA ASP A 359 1.955 -13.420 -1.645 1.00 0.00 C ATOM 714 C ASP A 359 3.194 -14.217 -2.065 1.00 0.00 C ATOM 715 O ASP A 359 3.287 -15.405 -1.833 1.00 0.00 O ATOM 716 CB ASP A 359 0.996 -14.333 -0.878 1.00 0.00 C ATOM 717 CG ASP A 359 1.383 -14.353 0.602 1.00 0.00 C ATOM 718 OD1 ASP A 359 2.516 -14.014 0.902 1.00 0.00 O ATOM 719 OD2 ASP A 359 0.540 -14.706 1.410 1.00 0.00 O ATOM 0 H ASP A 359 1.296 -11.877 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 359 2.255 -12.590 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 359 -0.029 -13.979 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.032 -15.342 -1.288 1.00 0.00 H new ATOM 724 N PRO A 360 4.139 -13.555 -2.678 1.00 0.00 N ATOM 725 CA PRO A 360 5.406 -14.181 -3.149 1.00 0.00 C ATOM 726 C PRO A 360 6.463 -14.251 -2.037 1.00 0.00 C ATOM 727 O PRO A 360 6.344 -13.589 -1.026 1.00 0.00 O ATOM 728 CB PRO A 360 5.862 -13.229 -4.249 1.00 0.00 C ATOM 729 CG PRO A 360 5.377 -11.886 -3.816 1.00 0.00 C ATOM 730 CD PRO A 360 4.104 -12.120 -2.993 1.00 0.00 C ATOM 0 HA PRO A 360 5.265 -15.211 -3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 360 6.946 -13.242 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.441 -13.509 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.134 -11.375 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.169 -11.253 -4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.098 -11.513 -2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.210 -11.858 -3.559 1.00 0.00 H new ATOM 738 N PRO A 361 7.495 -15.037 -2.222 1.00 0.00 N ATOM 739 CA PRO A 361 8.584 -15.168 -1.212 1.00 0.00 C ATOM 740 C PRO A 361 9.106 -13.804 -0.741 1.00 0.00 C ATOM 741 O PRO A 361 9.698 -13.691 0.313 1.00 0.00 O ATOM 742 CB PRO A 361 9.689 -15.923 -1.951 1.00 0.00 C ATOM 743 CG PRO A 361 9.014 -16.658 -3.059 1.00 0.00 C ATOM 744 CD PRO A 361 7.736 -15.890 -3.401 1.00 0.00 C ATOM 0 HA PRO A 361 8.234 -15.676 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.439 -15.235 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.205 -16.612 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 361 9.667 -16.725 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 361 8.780 -17.679 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 361 7.861 -15.293 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 361 6.901 -16.567 -3.579 1.00 0.00 H new ATOM 752 N LEU A 362 8.896 -12.770 -1.513 1.00 0.00 N ATOM 753 CA LEU A 362 9.390 -11.424 -1.097 1.00 0.00 C ATOM 754 C LEU A 362 8.834 -11.084 0.288 1.00 0.00 C ATOM 755 O LEU A 362 9.540 -10.586 1.140 1.00 0.00 O ATOM 756 CB LEU A 362 8.920 -10.366 -2.101 1.00 0.00 C ATOM 757 CG LEU A 362 9.436 -10.708 -3.501 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.033 -9.600 -4.477 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.961 -10.826 -3.471 1.00 0.00 C ATOM 0 H LEU A 362 8.407 -12.798 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 362 10.479 -11.436 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.831 -10.317 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.281 -9.382 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 362 9.004 -11.655 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 362 9.400 -9.842 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.947 -9.514 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.465 -8.654 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.327 -11.070 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.393 -9.879 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.251 -11.614 -2.776 1.00 0.00 H new ATOM 771 N SER A 363 7.574 -11.366 0.512 1.00 0.00 N ATOM 772 CA SER A 363 6.946 -11.076 1.840 1.00 0.00 C ATOM 773 C SER A 363 7.573 -9.829 2.470 1.00 0.00 C ATOM 774 O SER A 363 7.732 -9.747 3.672 1.00 0.00 O ATOM 775 CB SER A 363 7.155 -12.272 2.769 1.00 0.00 C ATOM 776 OG SER A 363 8.531 -12.626 2.776 1.00 0.00 O ATOM 0 H SER A 363 6.948 -11.788 -0.174 1.00 0.00 H new ATOM 0 HA SER A 363 5.881 -10.898 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 363 6.826 -12.025 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.552 -13.116 2.435 1.00 0.00 H new ATOM 0 HG SER A 363 8.752 -13.098 1.946 1.00 0.00 H new ATOM 782 N SER A 364 7.937 -8.860 1.673 1.00 0.00 N ATOM 783 CA SER A 364 8.557 -7.628 2.234 1.00 0.00 C ATOM 784 C SER A 364 7.954 -6.391 1.565 1.00 0.00 C ATOM 785 O SER A 364 7.436 -6.457 0.468 1.00 0.00 O ATOM 786 CB SER A 364 10.066 -7.658 1.984 1.00 0.00 C ATOM 787 OG SER A 364 10.312 -7.556 0.587 1.00 0.00 O ATOM 0 H SER A 364 7.831 -8.870 0.659 1.00 0.00 H new ATOM 0 HA SER A 364 8.364 -7.586 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 364 10.550 -6.836 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 364 10.493 -8.582 2.374 1.00 0.00 H new ATOM 0 HG SER A 364 11.278 -7.573 0.423 1.00 0.00 H new ATOM 793 N VAL A 365 8.024 -5.261 2.221 1.00 0.00 N ATOM 794 CA VAL A 365 7.464 -4.013 1.634 1.00 0.00 C ATOM 795 C VAL A 365 8.616 -3.050 1.295 1.00 0.00 C ATOM 796 O VAL A 365 9.282 -2.556 2.182 1.00 0.00 O ATOM 797 CB VAL A 365 6.540 -3.350 2.657 1.00 0.00 C ATOM 798 CG1 VAL A 365 5.872 -2.127 2.025 1.00 0.00 C ATOM 799 CG2 VAL A 365 5.464 -4.347 3.094 1.00 0.00 C ATOM 0 H VAL A 365 8.448 -5.152 3.142 1.00 0.00 H new ATOM 0 HA VAL A 365 6.905 -4.250 0.729 1.00 0.00 H new ATOM 0 HB VAL A 365 7.123 -3.039 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 365 5.214 -1.655 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 365 6.637 -1.416 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 365 5.289 -2.438 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.805 -3.875 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.882 -4.658 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.938 -5.219 3.544 1.00 0.00 H new ATOM 809 N PRO A 366 8.865 -2.782 0.031 1.00 0.00 N ATOM 810 CA PRO A 366 9.966 -1.865 -0.382 1.00 0.00 C ATOM 811 C PRO A 366 9.612 -0.388 -0.170 1.00 0.00 C ATOM 812 O PRO A 366 10.384 0.495 -0.487 1.00 0.00 O ATOM 813 CB PRO A 366 10.158 -2.165 -1.867 1.00 0.00 C ATOM 814 CG PRO A 366 8.844 -2.688 -2.346 1.00 0.00 C ATOM 815 CD PRO A 366 8.138 -3.311 -1.138 1.00 0.00 C ATOM 0 HA PRO A 366 10.865 -2.027 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.445 -1.267 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.950 -2.898 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.242 -1.885 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.988 -3.429 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 366 7.084 -3.034 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.180 -4.400 -1.172 1.00 0.00 H new ATOM 823 N SER A 367 8.453 -0.111 0.364 1.00 0.00 N ATOM 824 CA SER A 367 8.057 1.306 0.593 1.00 0.00 C ATOM 825 C SER A 367 8.905 1.893 1.724 1.00 0.00 C ATOM 826 O SER A 367 8.771 3.047 2.080 1.00 0.00 O ATOM 827 CB SER A 367 6.581 1.366 0.983 1.00 0.00 C ATOM 828 OG SER A 367 6.463 1.244 2.395 1.00 0.00 O ATOM 0 H SER A 367 7.764 -0.806 0.651 1.00 0.00 H new ATOM 0 HA SER A 367 8.216 1.880 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 367 6.143 2.307 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 367 6.030 0.565 0.490 1.00 0.00 H new ATOM 0 HG SER A 367 5.517 1.284 2.649 1.00 0.00 H new ATOM 834 N GLU A 368 9.776 1.105 2.293 1.00 0.00 N ATOM 835 CA GLU A 368 10.632 1.612 3.402 1.00 0.00 C ATOM 836 C GLU A 368 11.461 2.800 2.910 1.00 0.00 C ATOM 837 O GLU A 368 11.771 3.704 3.660 1.00 0.00 O ATOM 838 CB GLU A 368 11.568 0.498 3.875 1.00 0.00 C ATOM 839 CG GLU A 368 10.744 -0.640 4.480 1.00 0.00 C ATOM 840 CD GLU A 368 11.684 -1.726 5.007 1.00 0.00 C ATOM 841 OE1 GLU A 368 12.869 -1.640 4.733 1.00 0.00 O ATOM 842 OE2 GLU A 368 11.202 -2.626 5.676 1.00 0.00 O ATOM 0 H GLU A 368 9.932 0.130 2.037 1.00 0.00 H new ATOM 0 HA GLU A 368 9.999 1.931 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 368 12.161 0.127 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 368 12.268 0.887 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.119 -0.261 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 368 10.074 -1.057 3.729 1.00 0.00 H new ATOM 849 N ASP A 369 11.822 2.808 1.655 1.00 0.00 N ATOM 850 CA ASP A 369 12.629 3.938 1.120 1.00 0.00 C ATOM 851 C ASP A 369 12.081 4.351 -0.247 1.00 0.00 C ATOM 852 O ASP A 369 11.225 3.694 -0.805 1.00 0.00 O ATOM 853 CB ASP A 369 14.090 3.502 0.979 1.00 0.00 C ATOM 854 CG ASP A 369 14.195 2.365 -0.040 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.228 2.133 -0.745 1.00 0.00 O ATOM 856 OD2 ASP A 369 15.244 1.743 -0.096 1.00 0.00 O ATOM 0 H ASP A 369 11.592 2.080 0.978 1.00 0.00 H new ATOM 0 HA ASP A 369 12.570 4.784 1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 369 14.702 4.346 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 369 14.476 3.175 1.944 1.00 0.00 H new ATOM 861 N GLU A 370 12.562 5.436 -0.788 1.00 0.00 N ATOM 862 CA GLU A 370 12.061 5.885 -2.115 1.00 0.00 C ATOM 863 C GLU A 370 12.434 4.848 -3.175 1.00 0.00 C ATOM 864 O GLU A 370 13.435 4.976 -3.853 1.00 0.00 O ATOM 865 CB GLU A 370 12.694 7.230 -2.472 1.00 0.00 C ATOM 866 CG GLU A 370 12.273 8.282 -1.444 1.00 0.00 C ATOM 867 CD GLU A 370 12.846 9.644 -1.843 1.00 0.00 C ATOM 868 OE1 GLU A 370 13.652 9.680 -2.758 1.00 0.00 O ATOM 869 OE2 GLU A 370 12.470 10.626 -1.225 1.00 0.00 O ATOM 0 H GLU A 370 13.278 6.029 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 370 10.977 5.994 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 370 13.780 7.139 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 370 12.382 7.537 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 370 11.186 8.336 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.631 8.001 -0.453 1.00 0.00 H new ATOM 876 N TRP A 371 11.635 3.826 -3.324 1.00 0.00 N ATOM 877 CA TRP A 371 11.936 2.781 -4.343 1.00 0.00 C ATOM 878 C TRP A 371 10.881 2.836 -5.451 1.00 0.00 C ATOM 879 O TRP A 371 9.698 2.933 -5.191 1.00 0.00 O ATOM 880 CB TRP A 371 11.930 1.402 -3.676 1.00 0.00 C ATOM 881 CG TRP A 371 10.677 0.675 -4.029 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.444 0.998 -3.585 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.514 -0.493 -4.885 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.530 0.111 -4.121 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.141 -0.829 -4.925 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.412 -1.284 -5.624 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.676 -1.912 -5.672 1.00 0.00 C ATOM 888 CZ3 TRP A 371 10.945 -2.375 -6.375 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.579 -2.687 -6.399 1.00 0.00 C ATOM 0 H TRP A 371 10.785 3.670 -2.782 1.00 0.00 H new ATOM 0 HA TRP A 371 12.919 2.960 -4.778 1.00 0.00 H new ATOM 0 HB2 TRP A 371 12.798 0.828 -4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 371 12.005 1.511 -2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.210 1.816 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.526 0.147 -3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.467 -1.051 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.622 -2.149 -5.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.643 -2.977 -6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.226 -3.526 -6.980 1.00 0.00 H new ATOM 900 N TYR A 372 11.304 2.790 -6.686 1.00 0.00 N ATOM 901 CA TYR A 372 10.333 2.849 -7.817 1.00 0.00 C ATOM 902 C TYR A 372 10.538 1.631 -8.721 1.00 0.00 C ATOM 903 O TYR A 372 11.638 1.132 -8.856 1.00 0.00 O ATOM 904 CB TYR A 372 10.576 4.127 -8.621 1.00 0.00 C ATOM 905 CG TYR A 372 10.697 5.299 -7.678 1.00 0.00 C ATOM 906 CD1 TYR A 372 9.549 5.866 -7.112 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.960 5.818 -7.368 1.00 0.00 C ATOM 908 CE1 TYR A 372 9.665 6.952 -6.237 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.076 6.904 -6.493 1.00 0.00 C ATOM 910 CZ TYR A 372 10.928 7.471 -5.927 1.00 0.00 C ATOM 911 OH TYR A 372 11.041 8.542 -5.064 1.00 0.00 O ATOM 0 H TYR A 372 12.283 2.714 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 372 9.314 2.849 -7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.485 4.029 -9.215 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.755 4.292 -9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.575 5.466 -7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.845 5.380 -7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 372 8.780 7.390 -5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.050 7.304 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 372 10.304 8.521 -4.419 1.00 0.00 H new ATOM 921 N CYS A 373 9.498 1.143 -9.347 1.00 0.00 N ATOM 922 CA CYS A 373 9.673 -0.040 -10.236 1.00 0.00 C ATOM 923 C CYS A 373 10.861 0.219 -11.168 1.00 0.00 C ATOM 924 O CYS A 373 11.234 1.348 -11.409 1.00 0.00 O ATOM 925 CB CYS A 373 8.409 -0.269 -11.074 1.00 0.00 C ATOM 926 SG CYS A 373 7.066 0.789 -10.480 1.00 0.00 S ATOM 0 H CYS A 373 8.548 1.508 -9.282 1.00 0.00 H new ATOM 0 HA CYS A 373 9.854 -0.926 -9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.615 -0.054 -12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.110 -1.316 -11.016 1.00 0.00 H new ATOM 931 N PRO A 374 11.457 -0.820 -11.679 1.00 0.00 N ATOM 932 CA PRO A 374 12.631 -0.700 -12.593 1.00 0.00 C ATOM 933 C PRO A 374 12.291 0.033 -13.898 1.00 0.00 C ATOM 934 O PRO A 374 13.164 0.523 -14.585 1.00 0.00 O ATOM 935 CB PRO A 374 13.040 -2.148 -12.881 1.00 0.00 C ATOM 936 CG PRO A 374 11.870 -2.997 -12.496 1.00 0.00 C ATOM 937 CD PRO A 374 11.080 -2.221 -11.445 1.00 0.00 C ATOM 0 HA PRO A 374 13.427 -0.112 -12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.287 -2.280 -13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 374 13.926 -2.423 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.248 -3.212 -13.365 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.204 -3.955 -12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.007 -2.370 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.338 -2.540 -10.435 1.00 0.00 H new ATOM 945 N GLU A 375 11.035 0.102 -14.253 1.00 0.00 N ATOM 946 CA GLU A 375 10.660 0.792 -15.523 1.00 0.00 C ATOM 947 C GLU A 375 10.782 2.311 -15.370 1.00 0.00 C ATOM 948 O GLU A 375 11.284 2.990 -16.243 1.00 0.00 O ATOM 949 CB GLU A 375 9.221 0.427 -15.895 1.00 0.00 C ATOM 950 CG GLU A 375 8.256 1.247 -15.047 1.00 0.00 C ATOM 951 CD GLU A 375 6.832 0.725 -15.240 1.00 0.00 C ATOM 952 OE1 GLU A 375 6.650 -0.149 -16.072 1.00 0.00 O ATOM 953 OE2 GLU A 375 5.946 1.208 -14.555 1.00 0.00 O ATOM 0 H GLU A 375 10.256 -0.287 -13.722 1.00 0.00 H new ATOM 0 HA GLU A 375 11.339 0.467 -16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 375 9.047 0.620 -16.953 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.051 -0.637 -15.733 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.537 1.185 -13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.310 2.298 -15.330 1.00 0.00 H new ATOM 960 N CYS A 376 10.318 2.854 -14.278 1.00 0.00 N ATOM 961 CA CYS A 376 10.405 4.332 -14.093 1.00 0.00 C ATOM 962 C CYS A 376 11.871 4.748 -14.002 1.00 0.00 C ATOM 963 O CYS A 376 12.268 5.783 -14.498 1.00 0.00 O ATOM 964 CB CYS A 376 9.679 4.741 -12.806 1.00 0.00 C ATOM 965 SG CYS A 376 9.545 3.317 -11.699 1.00 0.00 S ATOM 0 H CYS A 376 9.885 2.342 -13.509 1.00 0.00 H new ATOM 0 HA CYS A 376 9.935 4.827 -14.943 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.221 5.547 -12.312 1.00 0.00 H new ATOM 0 HB3 CYS A 376 8.686 5.123 -13.043 1.00 0.00 H new ATOM 970 N ARG A 377 12.676 3.947 -13.368 1.00 0.00 N ATOM 971 CA ARG A 377 14.118 4.287 -13.233 1.00 0.00 C ATOM 972 C ARG A 377 14.771 4.315 -14.616 1.00 0.00 C ATOM 973 O ARG A 377 15.774 4.967 -14.826 1.00 0.00 O ATOM 974 CB ARG A 377 14.794 3.230 -12.362 1.00 0.00 C ATOM 975 CG ARG A 377 14.100 3.196 -11.000 1.00 0.00 C ATOM 976 CD ARG A 377 14.841 2.238 -10.068 1.00 0.00 C ATOM 977 NE ARG A 377 14.050 2.057 -8.819 1.00 0.00 N ATOM 978 CZ ARG A 377 14.187 0.970 -8.111 1.00 0.00 C ATOM 979 NH1 ARG A 377 15.018 0.040 -8.495 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.491 0.813 -7.019 1.00 0.00 N ATOM 0 H ARG A 377 12.397 3.067 -12.935 1.00 0.00 H new ATOM 0 HA ARG A 377 14.227 5.268 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 377 14.734 2.252 -12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 377 15.852 3.461 -12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.079 4.196 -10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.064 2.877 -11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 377 14.991 1.277 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.829 2.633 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 377 13.401 2.783 -8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.561 0.163 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 377 15.124 -0.810 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 377 12.841 1.540 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.597 -0.036 -6.464 1.00 0.00 H new ATOM 994 N ASN A 378 14.208 3.611 -15.561 1.00 0.00 N ATOM 995 CA ASN A 378 14.792 3.595 -16.933 1.00 0.00 C ATOM 996 C ASN A 378 16.255 3.154 -16.861 1.00 0.00 C ATOM 997 O ASN A 378 17.118 3.724 -17.499 1.00 0.00 O ATOM 998 CB ASN A 378 14.707 4.996 -17.546 1.00 0.00 C ATOM 999 CG ASN A 378 13.241 5.418 -17.655 1.00 0.00 C ATOM 1000 OD1 ASN A 378 12.354 4.589 -17.605 1.00 0.00 O ATOM 1001 ND2 ASN A 378 12.947 6.680 -17.803 1.00 0.00 N ATOM 0 H ASN A 378 13.368 3.045 -15.442 1.00 0.00 H new ATOM 0 HA ASN A 378 14.233 2.896 -17.555 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.256 5.708 -16.930 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.172 5.002 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 378 11.972 6.971 -17.877 1.00 0.00 H new ATOM 0 HD22 ASN A 378 13.692 7.376 -17.845 1.00 0.00 H new ATOM 1008 N ASP A 379 16.542 2.142 -16.089 1.00 0.00 N ATOM 1009 CA ASP A 379 17.948 1.666 -15.977 1.00 0.00 C ATOM 1010 C ASP A 379 18.245 0.681 -17.110 1.00 0.00 C ATOM 1011 O ASP A 379 19.358 0.701 -17.608 1.00 0.00 O ATOM 1012 CB ASP A 379 18.145 0.968 -14.629 1.00 0.00 C ATOM 1013 CG ASP A 379 18.015 1.993 -13.500 1.00 0.00 C ATOM 1014 OD1 ASP A 379 18.020 3.176 -13.797 1.00 0.00 O ATOM 1015 OD2 ASP A 379 17.912 1.576 -12.358 1.00 0.00 O ATOM 1016 OXT ASP A 379 17.355 -0.077 -17.459 1.00 0.00 O ATOM 0 H ASP A 379 15.863 1.625 -15.531 1.00 0.00 H new ATOM 0 HA ASP A 379 18.626 2.516 -16.048 1.00 0.00 H new ATOM 0 HB2 ASP A 379 17.404 0.178 -14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 379 19.126 0.494 -14.593 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 8.930 6.191 -0.967 1.00 0.00 N ATOM 1023 CA ALA B 383 8.139 5.986 -2.212 1.00 0.00 C ATOM 1024 C ALA B 383 6.705 6.471 -1.987 1.00 0.00 C ATOM 1025 O ALA B 383 6.465 7.399 -1.240 1.00 0.00 O ATOM 1026 CB ALA B 383 8.122 4.498 -2.567 1.00 0.00 C ATOM 0 HA ALA B 383 8.592 6.549 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.543 4.348 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA B 383 9.143 4.150 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA B 383 7.668 3.935 -1.752 1.00 0.00 H new ATOM 1034 N ARG B 384 5.752 5.845 -2.628 1.00 0.00 N ATOM 1035 CA ARG B 384 4.332 6.262 -2.453 1.00 0.00 C ATOM 1036 C ARG B 384 3.500 5.070 -1.987 1.00 0.00 C ATOM 1037 O ARG B 384 3.714 3.954 -2.409 1.00 0.00 O ATOM 1038 CB ARG B 384 3.776 6.778 -3.783 1.00 0.00 C ATOM 1039 CG ARG B 384 2.300 7.127 -3.599 1.00 0.00 C ATOM 1040 CD ARG B 384 1.788 7.867 -4.837 1.00 0.00 C ATOM 1041 NE ARG B 384 1.547 6.895 -5.942 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.579 7.293 -7.187 1.00 0.00 C ATOM 1043 NH1 ARG B 384 1.868 8.535 -7.475 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.333 6.444 -8.147 1.00 0.00 N ATOM 0 H ARG B 384 5.898 5.062 -3.266 1.00 0.00 H new ATOM 0 HA ARG B 384 4.283 7.055 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG B 384 4.333 7.656 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.891 6.021 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.719 6.219 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG B 384 2.171 7.748 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.866 8.398 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG B 384 2.515 8.616 -5.151 1.00 0.00 H new ATOM 0 HE ARG B 384 1.357 5.917 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG B 384 2.070 9.198 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG B 384 1.892 8.841 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.116 5.472 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.357 6.752 -9.119 1.00 0.00 H new ATOM 1058 N THR B 385 2.550 5.300 -1.119 1.00 0.00 N ATOM 1059 CA THR B 385 1.695 4.181 -0.622 1.00 0.00 C ATOM 1060 C THR B 385 0.220 4.549 -0.800 1.00 0.00 C ATOM 1061 O THR B 385 -0.456 4.919 0.139 1.00 0.00 O ATOM 1062 CB THR B 385 1.987 3.936 0.860 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.593 5.092 1.420 1.00 0.00 O ATOM 1064 CG2 THR B 385 2.931 2.740 1.005 1.00 0.00 C ATOM 0 H THR B 385 2.329 6.217 -0.732 1.00 0.00 H new ATOM 0 HA THR B 385 1.914 3.276 -1.189 1.00 0.00 H new ATOM 0 HB THR B 385 1.055 3.725 1.384 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.779 4.937 2.370 1.00 0.00 H new ATOM 0 HG21 THR B 385 3.139 2.566 2.061 1.00 0.00 H new ATOM 0 HG22 THR B 385 2.464 1.854 0.576 1.00 0.00 H new ATOM 0 HG23 THR B 385 3.864 2.947 0.481 1.00 0.00 H new ATOM 1072 N LYS B 386 -0.283 4.448 -1.999 1.00 0.00 N ATOM 1073 CA LYS B 386 -1.714 4.786 -2.243 1.00 0.00 C ATOM 1074 C LYS B 386 -2.598 3.892 -1.373 1.00 0.00 C ATOM 1075 O LYS B 386 -3.590 4.329 -0.823 1.00 0.00 O ATOM 1076 CB LYS B 386 -2.038 4.549 -3.722 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.487 4.949 -4.031 1.00 0.00 C ATOM 1078 CD LYS B 386 -3.594 6.471 -4.159 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.980 6.838 -4.693 1.00 0.00 C ATOM 1080 NZ LYS B 386 -5.839 5.620 -4.726 1.00 0.00 N ATOM 0 H LYS B 386 0.237 4.145 -2.823 1.00 0.00 H new ATOM 0 HA LYS B 386 -1.898 5.831 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -1.355 5.126 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -1.885 3.498 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.815 4.474 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.147 4.595 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -3.429 6.941 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -2.822 6.846 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.435 7.600 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.895 7.263 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -6.822 5.894 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -5.501 4.977 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.793 5.138 -3.806 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.248 2.642 -1.250 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.066 1.714 -0.423 1.00 0.00 C ATOM 1096 C GLN B 387 -4.515 1.745 -0.917 1.00 0.00 C ATOM 1097 O GLN B 387 -5.447 1.749 -0.139 1.00 0.00 O ATOM 1098 CB GLN B 387 -3.013 2.149 1.045 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.566 2.106 1.538 1.00 0.00 C ATOM 1100 CD GLN B 387 -1.506 2.583 2.990 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -2.439 3.188 3.481 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -0.442 2.334 3.703 1.00 0.00 N ATOM 0 H GLN B 387 -1.428 2.223 -1.688 1.00 0.00 H new ATOM 0 HA GLN B 387 -2.671 0.702 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -3.415 3.157 1.151 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -3.635 1.492 1.653 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.175 1.092 1.461 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -0.938 2.738 0.910 1.00 0.00 H new ATOM 0 HE21 GLN B 387 0.341 1.826 3.291 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -0.393 2.647 4.673 1.00 0.00 H new ATOM 1111 N THR B 388 -4.704 1.764 -2.209 1.00 0.00 N ATOM 1112 CA THR B 388 -6.087 1.793 -2.769 1.00 0.00 C ATOM 1113 C THR B 388 -6.949 2.766 -1.962 1.00 0.00 C ATOM 1114 O THR B 388 -6.456 3.538 -1.164 1.00 0.00 O ATOM 1115 CB THR B 388 -6.706 0.394 -2.698 1.00 0.00 C ATOM 1116 OG1 THR B 388 -7.681 0.365 -1.666 1.00 0.00 O ATOM 1117 CG2 THR B 388 -5.620 -0.643 -2.406 1.00 0.00 C ATOM 0 H THR B 388 -3.957 1.761 -2.904 1.00 0.00 H new ATOM 0 HA THR B 388 -6.042 2.118 -3.808 1.00 0.00 H new ATOM 0 HB THR B 388 -7.175 0.158 -3.653 1.00 0.00 H new ATOM 0 HG1 THR B 388 -8.456 -0.155 -1.963 1.00 0.00 H new ATOM 0 HG21 THR B 388 -6.068 -1.635 -2.357 1.00 0.00 H new ATOM 0 HG22 THR B 388 -4.873 -0.621 -3.200 1.00 0.00 H new ATOM 0 HG23 THR B 388 -5.144 -0.413 -1.453 1.00 0.00 H new ATOM 1125 N ALA B 389 -8.238 2.733 -2.167 1.00 0.00 N ATOM 1126 CA ALA B 389 -9.140 3.650 -1.417 1.00 0.00 C ATOM 1127 C ALA B 389 -9.898 2.852 -0.353 1.00 0.00 C ATOM 1128 O ALA B 389 -10.234 1.701 -0.551 1.00 0.00 O ATOM 1129 CB ALA B 389 -10.139 4.287 -2.384 1.00 0.00 C ATOM 0 H ALA B 389 -8.705 2.108 -2.824 1.00 0.00 H new ATOM 0 HA ALA B 389 -8.551 4.432 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -10.799 4.958 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -9.600 4.851 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -10.731 3.507 -2.862 1.00 0.00 H new ATOM 1135 N ARG B 390 -10.169 3.452 0.772 1.00 0.00 N ATOM 1136 CA ARG B 390 -10.904 2.723 1.843 1.00 0.00 C ATOM 1137 C ARG B 390 -12.408 2.896 1.635 1.00 0.00 C ATOM 1138 O ARG B 390 -13.210 2.467 2.441 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.508 3.289 3.209 1.00 0.00 C ATOM 1140 CG ARG B 390 -11.006 4.730 3.328 1.00 0.00 C ATOM 1141 CD ARG B 390 -10.401 5.378 4.575 1.00 0.00 C ATOM 1142 NE ARG B 390 -10.983 6.737 4.761 1.00 0.00 N ATOM 1143 CZ ARG B 390 -12.156 6.875 5.315 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -12.820 5.821 5.707 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -12.666 8.065 5.478 1.00 0.00 N ATOM 0 H ARG B 390 -9.914 4.414 0.996 1.00 0.00 H new ATOM 0 HA ARG B 390 -10.651 1.664 1.802 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.935 2.679 4.005 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -9.425 3.256 3.328 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -10.728 5.297 2.439 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -12.094 4.746 3.388 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.601 4.762 5.452 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -9.318 5.445 4.474 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.464 7.560 4.455 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -12.421 4.891 5.580 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -13.737 5.928 6.140 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -12.147 8.888 5.172 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -13.583 8.172 5.911 1.00 0.00 H new ATOM 1159 N LYS B 391 -12.801 3.525 0.560 1.00 0.00 N ATOM 1160 CA LYS B 391 -14.254 3.727 0.305 1.00 0.00 C ATOM 1161 C LYS B 391 -14.959 2.369 0.250 1.00 0.00 C ATOM 1162 O LYS B 391 -16.056 2.208 0.746 1.00 0.00 O ATOM 1163 CB LYS B 391 -14.444 4.447 -1.031 1.00 0.00 C ATOM 1164 CG LYS B 391 -13.834 5.847 -0.952 1.00 0.00 C ATOM 1165 CD LYS B 391 -14.155 6.615 -2.235 1.00 0.00 C ATOM 1166 CE LYS B 391 -13.486 7.988 -2.188 1.00 0.00 C ATOM 1167 NZ LYS B 391 -12.212 7.947 -2.960 1.00 0.00 N ATOM 0 H LYS B 391 -12.178 3.907 -0.152 1.00 0.00 H new ATOM 0 HA LYS B 391 -14.680 4.328 1.109 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -13.972 3.878 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -15.505 4.515 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -14.230 6.380 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -12.755 5.778 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -13.804 6.057 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -15.234 6.728 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -14.152 8.743 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -13.288 8.273 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -11.470 8.448 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -11.926 6.958 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -12.350 8.406 -3.883 1.00 0.00 H new ATOM 1181 N SER B 392 -14.336 1.390 -0.347 1.00 0.00 N ATOM 1182 CA SER B 392 -14.972 0.044 -0.430 1.00 0.00 C ATOM 1183 C SER B 392 -15.218 -0.477 0.984 1.00 0.00 C ATOM 1184 O SER B 392 -16.264 -1.015 1.287 1.00 0.00 O ATOM 1185 CB SER B 392 -14.043 -0.915 -1.176 1.00 0.00 C ATOM 1186 OG SER B 392 -14.726 -2.138 -1.416 1.00 0.00 O ATOM 0 H SER B 392 -13.416 1.463 -0.780 1.00 0.00 H new ATOM 0 HA SER B 392 -15.919 0.115 -0.966 1.00 0.00 H new ATOM 0 HB2 SER B 392 -13.725 -0.471 -2.120 1.00 0.00 H new ATOM 0 HB3 SER B 392 -13.142 -1.097 -0.590 1.00 0.00 H new ATOM 0 HG SER B 392 -14.389 -2.545 -2.241 1.00 0.00 H new ATOM 1192 N THR B 393 -14.263 -0.308 1.857 1.00 0.00 N ATOM 1193 CA THR B 393 -14.444 -0.776 3.256 1.00 0.00 C ATOM 1194 C THR B 393 -15.359 0.209 3.981 1.00 0.00 C ATOM 1195 O THR B 393 -15.894 -0.076 5.034 1.00 0.00 O ATOM 1196 CB THR B 393 -13.085 -0.829 3.960 1.00 0.00 C ATOM 1197 OG1 THR B 393 -12.564 0.486 4.080 1.00 0.00 O ATOM 1198 CG2 THR B 393 -12.120 -1.691 3.143 1.00 0.00 C ATOM 0 H THR B 393 -13.365 0.134 1.660 1.00 0.00 H new ATOM 0 HA THR B 393 -14.886 -1.772 3.263 1.00 0.00 H new ATOM 0 HB THR B 393 -13.205 -1.263 4.953 1.00 0.00 H new ATOM 0 HG1 THR B 393 -12.911 1.043 3.352 1.00 0.00 H new ATOM 0 HG21 THR B 393 -11.153 -1.729 3.644 1.00 0.00 H new ATOM 0 HG22 THR B 393 -12.521 -2.700 3.052 1.00 0.00 H new ATOM 0 HG23 THR B 393 -11.998 -1.259 2.150 1.00 0.00 H new ATOM 1206 N GLY B 394 -15.539 1.371 3.415 1.00 0.00 N ATOM 1207 CA GLY B 394 -16.416 2.391 4.051 1.00 0.00 C ATOM 1208 C GLY B 394 -17.670 1.715 4.608 1.00 0.00 C ATOM 1209 O GLY B 394 -17.925 1.867 5.791 1.00 0.00 O ATOM 1210 OXT GLY B 394 -18.354 1.058 3.842 1.00 0.00 O ATOM 0 H GLY B 394 -15.113 1.658 2.534 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -15.878 2.899 4.852 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -16.694 3.152 3.322 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -9.730 4.549 -9.951 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -4.073 -7.063 -6.381 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 7.379 3.007 -10.987 1.00 0.00 ZN