USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 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 Set 1.1: A 332 HIS : no HD1:sc= -1.36 K(o=-1.8,f=-0.53) USER MOD Set 1.2: A 351 MET CE :methyl 129:sc= -0.46 (180deg=-0.949) USER MOD Single : A 311 SER OG : rot 25:sc= 0.329 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= -3.61! K(o=-3.6!,f=-1.7) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= -0.206 K(o=-0.21,f=-5!) USER MOD Single : A 338 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.054) USER MOD Single : A 342 LYS NZ :NH3+ -120:sc= 1.39 (180deg=-1.23!) USER MOD Single : A 343 GLN : amide:sc= -3.74! C(o=-3.7!,f=-3.4!) USER MOD Single : A 345 MET CE :methyl -104:sc= -1.6 (180deg=-4.32!) USER MOD Single : A 354 HIS : no HE2:sc= -6.82 K(o=-6.8,f=-9.4!) USER MOD Single : A 356 TYR OH : rot 30:sc= -0.445 USER MOD Single : A 363 SER OG : rot 67:sc= 0.188 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 180:sc= -0.811 USER MOD Single : A 378 ASN : amide:sc= -0.99 K(o=-0.99,f=-2.8!) USER MOD Single : B 385 THR OG1 : rot 180:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ -126:sc= -1.4 (180deg=-3.82!) USER MOD Single : B 387 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 388 THR OG1 : rot 180:sc= -0.831 USER MOD Single : B 391 LYS NZ :NH3+ 170:sc= -1.01 (180deg=-1.31) USER MOD Single : B 392 SER OG : rot 90:sc= -1.77 USER MOD Single : B 393 THR OG1 : rot -68:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -6.256 15.508 -2.824 1.00 0.00 N ATOM 2 CA SER A 311 -5.968 15.554 -4.286 1.00 0.00 C ATOM 3 C SER A 311 -5.126 14.340 -4.678 1.00 0.00 C ATOM 4 O SER A 311 -5.522 13.533 -5.497 1.00 0.00 O ATOM 5 CB SER A 311 -5.198 16.834 -4.612 1.00 0.00 C ATOM 6 OG SER A 311 -5.858 17.944 -4.015 1.00 0.00 O ATOM 0 HA SER A 311 -6.905 15.541 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 311 -4.176 16.762 -4.241 1.00 0.00 H new ATOM 0 HB3 SER A 311 -5.137 16.970 -5.692 1.00 0.00 H new ATOM 0 HG SER A 311 -6.386 17.637 -3.248 1.00 0.00 H new ATOM 14 N GLY A 312 -3.967 14.205 -4.100 1.00 0.00 N ATOM 15 CA GLY A 312 -3.092 13.045 -4.435 1.00 0.00 C ATOM 16 C GLY A 312 -3.917 11.756 -4.443 1.00 0.00 C ATOM 17 O GLY A 312 -4.063 11.112 -5.463 1.00 0.00 O ATOM 0 H GLY A 312 -3.585 14.849 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -2.629 13.197 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -2.284 12.966 -3.708 1.00 0.00 H new ATOM 21 N PRO A 313 -4.453 11.381 -3.310 1.00 0.00 N ATOM 22 CA PRO A 313 -5.279 10.143 -3.177 1.00 0.00 C ATOM 23 C PRO A 313 -6.637 10.281 -3.865 1.00 0.00 C ATOM 24 O PRO A 313 -7.289 9.304 -4.180 1.00 0.00 O ATOM 25 CB PRO A 313 -5.463 9.992 -1.668 1.00 0.00 C ATOM 26 CG PRO A 313 -5.346 11.376 -1.131 1.00 0.00 C ATOM 27 CD PRO A 313 -4.338 12.094 -2.027 1.00 0.00 C ATOM 0 HA PRO A 313 -4.801 9.284 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -6.433 9.556 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -4.705 9.336 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -6.311 11.883 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -5.008 11.365 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -4.577 13.152 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -3.327 12.034 -1.623 1.00 0.00 H new ATOM 35 N SER A 314 -7.074 11.489 -4.093 1.00 0.00 N ATOM 36 CA SER A 314 -8.393 11.691 -4.750 1.00 0.00 C ATOM 37 C SER A 314 -8.374 11.051 -6.137 1.00 0.00 C ATOM 38 O SER A 314 -7.375 11.072 -6.829 1.00 0.00 O ATOM 39 CB SER A 314 -8.672 13.187 -4.883 1.00 0.00 C ATOM 40 OG SER A 314 -8.590 13.797 -3.602 1.00 0.00 O ATOM 0 H SER A 314 -6.573 12.344 -3.852 1.00 0.00 H new ATOM 0 HA SER A 314 -9.174 11.228 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 314 -7.952 13.644 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 314 -9.661 13.347 -5.312 1.00 0.00 H new ATOM 0 HG SER A 314 -8.767 14.757 -3.685 1.00 0.00 H new ATOM 46 N CYS A 315 -9.476 10.485 -6.544 1.00 0.00 N ATOM 47 CA CYS A 315 -9.539 9.841 -7.888 1.00 0.00 C ATOM 48 C CYS A 315 -10.670 10.469 -8.698 1.00 0.00 C ATOM 49 O CYS A 315 -11.830 10.336 -8.363 1.00 0.00 O ATOM 50 CB CYS A 315 -9.822 8.347 -7.727 1.00 0.00 C ATOM 51 SG CYS A 315 -9.484 7.491 -9.289 1.00 0.00 S ATOM 0 H CYS A 315 -10.339 10.440 -6.002 1.00 0.00 H new ATOM 0 HA CYS A 315 -8.588 9.985 -8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -9.202 7.933 -6.932 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -10.860 8.193 -7.434 1.00 0.00 H new ATOM 56 N LYS A 316 -10.352 11.139 -9.770 1.00 0.00 N ATOM 57 CA LYS A 316 -11.427 11.752 -10.595 1.00 0.00 C ATOM 58 C LYS A 316 -12.312 10.636 -11.145 1.00 0.00 C ATOM 59 O LYS A 316 -13.519 10.758 -11.218 1.00 0.00 O ATOM 60 CB LYS A 316 -10.804 12.545 -11.743 1.00 0.00 C ATOM 61 CG LYS A 316 -10.152 11.579 -12.722 1.00 0.00 C ATOM 62 CD LYS A 316 -9.375 12.365 -13.781 1.00 0.00 C ATOM 63 CE LYS A 316 -8.997 11.434 -14.933 1.00 0.00 C ATOM 64 NZ LYS A 316 -7.663 11.823 -15.470 1.00 0.00 N ATOM 0 H LYS A 316 -9.401 11.288 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 316 -12.027 12.431 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -11.568 13.135 -12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -10.064 13.246 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -9.481 10.905 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -10.912 10.961 -13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -9.980 13.192 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -8.477 12.799 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -8.974 10.401 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -9.748 11.490 -15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -7.406 11.189 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -7.700 12.803 -15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -6.950 11.748 -14.716 1.00 0.00 H new ATOM 78 N HIS A 317 -11.713 9.541 -11.529 1.00 0.00 N ATOM 79 CA HIS A 317 -12.502 8.403 -12.072 1.00 0.00 C ATOM 80 C HIS A 317 -13.409 7.833 -10.974 1.00 0.00 C ATOM 81 O HIS A 317 -14.542 7.469 -11.222 1.00 0.00 O ATOM 82 CB HIS A 317 -11.546 7.314 -12.563 1.00 0.00 C ATOM 83 CG HIS A 317 -12.327 6.260 -13.300 1.00 0.00 C ATOM 84 ND1 HIS A 317 -12.408 6.235 -14.686 1.00 0.00 N ATOM 85 CD2 HIS A 317 -13.073 5.193 -12.862 1.00 0.00 C ATOM 86 CE1 HIS A 317 -13.179 5.187 -15.029 1.00 0.00 C ATOM 87 NE2 HIS A 317 -13.606 4.520 -13.956 1.00 0.00 N ATOM 0 H HIS A 317 -10.705 9.387 -11.489 1.00 0.00 H new ATOM 0 HA HIS A 317 -13.118 8.750 -12.902 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.790 7.747 -13.218 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -11.020 6.869 -11.719 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -13.222 4.919 -11.828 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -13.422 4.919 -16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -14.199 3.690 -13.941 1.00 0.00 H new ATOM 96 N CYS A 318 -12.924 7.754 -9.761 1.00 0.00 N ATOM 97 CA CYS A 318 -13.765 7.208 -8.656 1.00 0.00 C ATOM 98 C CYS A 318 -13.341 7.843 -7.322 1.00 0.00 C ATOM 99 O CYS A 318 -12.681 7.241 -6.501 1.00 0.00 O ATOM 100 CB CYS A 318 -13.623 5.675 -8.607 1.00 0.00 C ATOM 101 SG CYS A 318 -12.068 5.188 -7.807 1.00 0.00 S ATOM 0 H CYS A 318 -11.984 8.043 -9.490 1.00 0.00 H new ATOM 0 HA CYS A 318 -14.812 7.451 -8.835 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -14.465 5.246 -8.064 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -13.657 5.271 -9.619 1.00 0.00 H new ATOM 106 N LYS A 319 -13.719 9.066 -7.097 1.00 0.00 N ATOM 107 CA LYS A 319 -13.335 9.737 -5.832 1.00 0.00 C ATOM 108 C LYS A 319 -13.747 8.864 -4.644 1.00 0.00 C ATOM 109 O LYS A 319 -13.139 8.901 -3.595 1.00 0.00 O ATOM 110 CB LYS A 319 -14.056 11.078 -5.767 1.00 0.00 C ATOM 111 CG LYS A 319 -13.586 11.951 -6.930 1.00 0.00 C ATOM 112 CD LYS A 319 -14.337 13.278 -6.900 1.00 0.00 C ATOM 113 CE LYS A 319 -13.934 14.123 -8.110 1.00 0.00 C ATOM 114 NZ LYS A 319 -15.030 15.076 -8.437 1.00 0.00 N ATOM 0 H LYS A 319 -14.278 9.630 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 319 -12.257 9.891 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -15.134 10.929 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -13.849 11.572 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -12.513 12.126 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -13.763 11.441 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -15.412 13.099 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -14.112 13.814 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -13.015 14.669 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -13.731 13.479 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -14.756 15.651 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -15.897 14.546 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -15.203 15.698 -7.622 1.00 0.00 H new ATOM 128 N ASP A 320 -14.772 8.075 -4.811 1.00 0.00 N ATOM 129 CA ASP A 320 -15.231 7.188 -3.700 1.00 0.00 C ATOM 130 C ASP A 320 -16.360 6.285 -4.206 1.00 0.00 C ATOM 131 O ASP A 320 -17.513 6.470 -3.866 1.00 0.00 O ATOM 132 CB ASP A 320 -15.754 8.040 -2.538 1.00 0.00 C ATOM 133 CG ASP A 320 -14.608 8.412 -1.590 1.00 0.00 C ATOM 134 OD1 ASP A 320 -13.623 7.693 -1.564 1.00 0.00 O ATOM 135 OD2 ASP A 320 -14.738 9.411 -0.902 1.00 0.00 O ATOM 0 H ASP A 320 -15.315 8.005 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 320 -14.394 6.580 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -16.223 8.945 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -16.522 7.491 -1.993 1.00 0.00 H new ATOM 140 N ASP A 321 -16.044 5.310 -5.014 1.00 0.00 N ATOM 141 CA ASP A 321 -17.104 4.403 -5.536 1.00 0.00 C ATOM 142 C ASP A 321 -17.116 3.101 -4.733 1.00 0.00 C ATOM 143 O ASP A 321 -16.117 2.693 -4.175 1.00 0.00 O ATOM 144 CB ASP A 321 -16.835 4.092 -7.004 1.00 0.00 C ATOM 145 CG ASP A 321 -16.983 5.370 -7.833 1.00 0.00 C ATOM 146 OD1 ASP A 321 -17.509 6.336 -7.307 1.00 0.00 O ATOM 147 OD2 ASP A 321 -16.567 5.359 -8.980 1.00 0.00 O ATOM 0 H ASP A 321 -15.098 5.103 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 321 -18.072 4.894 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -15.831 3.684 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.532 3.333 -7.359 1.00 0.00 H new ATOM 152 N VAL A 322 -18.245 2.451 -4.664 1.00 0.00 N ATOM 153 CA VAL A 322 -18.335 1.181 -3.889 1.00 0.00 C ATOM 154 C VAL A 322 -17.433 0.104 -4.500 1.00 0.00 C ATOM 155 O VAL A 322 -16.761 -0.620 -3.793 1.00 0.00 O ATOM 156 CB VAL A 322 -19.781 0.684 -3.892 1.00 0.00 C ATOM 157 CG1 VAL A 322 -19.838 -0.720 -3.288 1.00 0.00 C ATOM 158 CG2 VAL A 322 -20.647 1.633 -3.060 1.00 0.00 C ATOM 0 H VAL A 322 -19.112 2.746 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 322 -18.006 1.376 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 322 -20.154 0.655 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -20.868 -1.075 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -19.220 -1.396 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -19.466 -0.691 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -21.678 1.280 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -20.275 1.662 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -20.606 2.634 -3.489 1.00 0.00 H new ATOM 168 N ASN A 323 -17.420 -0.029 -5.799 1.00 0.00 N ATOM 169 CA ASN A 323 -16.568 -1.084 -6.414 1.00 0.00 C ATOM 170 C ASN A 323 -16.030 -0.633 -7.777 1.00 0.00 C ATOM 171 O ASN A 323 -15.567 -1.440 -8.559 1.00 0.00 O ATOM 172 CB ASN A 323 -17.398 -2.355 -6.597 1.00 0.00 C ATOM 173 CG ASN A 323 -16.472 -3.521 -6.936 1.00 0.00 C ATOM 174 OD1 ASN A 323 -15.692 -3.954 -6.111 1.00 0.00 O ATOM 175 ND2 ASN A 323 -16.523 -4.051 -8.127 1.00 0.00 N ATOM 0 H ASN A 323 -17.956 0.541 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 323 -15.721 -1.274 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -17.956 -2.572 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -18.129 -2.214 -7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -15.908 -4.829 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -17.178 -3.687 -8.819 1.00 0.00 H new ATOM 182 N ARG A 324 -16.067 0.636 -8.074 1.00 0.00 N ATOM 183 CA ARG A 324 -15.537 1.095 -9.390 1.00 0.00 C ATOM 184 C ARG A 324 -14.093 1.563 -9.202 1.00 0.00 C ATOM 185 O ARG A 324 -13.713 2.633 -9.635 1.00 0.00 O ATOM 186 CB ARG A 324 -16.385 2.249 -9.932 1.00 0.00 C ATOM 187 CG ARG A 324 -17.837 1.789 -10.081 1.00 0.00 C ATOM 188 CD ARG A 324 -18.662 2.907 -10.719 1.00 0.00 C ATOM 189 NE ARG A 324 -20.107 2.544 -10.677 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.779 2.667 -9.566 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.186 3.108 -8.490 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.044 2.349 -9.529 1.00 0.00 N ATOM 0 H ARG A 324 -16.437 1.370 -7.470 1.00 0.00 H new ATOM 0 HA ARG A 324 -15.575 0.272 -10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.330 3.103 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -15.996 2.579 -10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -17.884 0.891 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -18.249 1.529 -9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.496 3.844 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.345 3.064 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.571 2.199 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.197 3.356 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.712 3.204 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.508 2.004 -10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.569 2.445 -8.660 1.00 0.00 H new ATOM 206 N LEU A 325 -13.291 0.766 -8.552 1.00 0.00 N ATOM 207 CA LEU A 325 -11.871 1.153 -8.322 1.00 0.00 C ATOM 208 C LEU A 325 -11.088 1.028 -9.631 1.00 0.00 C ATOM 209 O LEU A 325 -11.233 0.071 -10.365 1.00 0.00 O ATOM 210 CB LEU A 325 -11.263 0.223 -7.263 1.00 0.00 C ATOM 211 CG LEU A 325 -11.102 0.975 -5.939 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.019 -0.031 -4.790 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.819 1.808 -5.978 1.00 0.00 C ATOM 0 H LEU A 325 -13.559 -0.140 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 325 -11.821 2.185 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -11.903 -0.648 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -10.295 -0.145 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.958 1.632 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.904 0.503 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.931 -0.627 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -10.162 -0.687 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.704 2.344 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -8.963 1.151 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -9.875 2.524 -6.798 1.00 0.00 H new ATOM 225 N CYS A 326 -10.262 1.996 -9.932 1.00 0.00 N ATOM 226 CA CYS A 326 -9.473 1.942 -11.193 1.00 0.00 C ATOM 227 C CYS A 326 -8.037 1.530 -10.884 1.00 0.00 C ATOM 228 O CYS A 326 -7.464 1.933 -9.897 1.00 0.00 O ATOM 229 CB CYS A 326 -9.469 3.317 -11.858 1.00 0.00 C ATOM 230 SG CYS A 326 -10.771 4.347 -11.139 1.00 0.00 S ATOM 0 H CYS A 326 -10.101 2.822 -9.356 1.00 0.00 H new ATOM 0 HA CYS A 326 -9.926 1.213 -11.865 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -8.498 3.794 -11.723 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -9.626 3.213 -12.932 1.00 0.00 H new ATOM 235 N ARG A 327 -7.453 0.727 -11.728 1.00 0.00 N ATOM 236 CA ARG A 327 -6.053 0.274 -11.492 1.00 0.00 C ATOM 237 C ARG A 327 -5.149 1.486 -11.250 1.00 0.00 C ATOM 238 O ARG A 327 -4.159 1.400 -10.552 1.00 0.00 O ATOM 239 CB ARG A 327 -5.558 -0.495 -12.721 1.00 0.00 C ATOM 240 CG ARG A 327 -6.553 -1.607 -13.083 1.00 0.00 C ATOM 241 CD ARG A 327 -6.465 -2.751 -12.068 1.00 0.00 C ATOM 242 NE ARG A 327 -7.347 -3.871 -12.506 1.00 0.00 N ATOM 243 CZ ARG A 327 -7.047 -4.564 -13.572 1.00 0.00 C ATOM 244 NH1 ARG A 327 -5.966 -4.290 -14.249 1.00 0.00 N ATOM 245 NH2 ARG A 327 -7.829 -5.535 -13.959 1.00 0.00 N ATOM 0 H ARG A 327 -7.887 0.363 -12.576 1.00 0.00 H new ATOM 0 HA ARG A 327 -6.025 -0.374 -10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -5.440 0.187 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -4.577 -0.925 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -7.566 -1.206 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -6.340 -1.983 -14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -5.435 -3.097 -11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -6.767 -2.400 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 327 -8.186 -4.096 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -5.353 -3.533 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -5.734 -4.833 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -8.673 -5.752 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -7.596 -6.077 -14.791 1.00 0.00 H new ATOM 259 N VAL A 328 -5.478 2.615 -11.814 1.00 0.00 N ATOM 260 CA VAL A 328 -4.631 3.824 -11.605 1.00 0.00 C ATOM 261 C VAL A 328 -4.652 4.187 -10.120 1.00 0.00 C ATOM 262 O VAL A 328 -3.724 4.770 -9.595 1.00 0.00 O ATOM 263 CB VAL A 328 -5.184 4.993 -12.428 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.896 4.452 -13.669 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.171 5.802 -11.582 1.00 0.00 C ATOM 0 H VAL A 328 -6.295 2.753 -12.409 1.00 0.00 H new ATOM 0 HA VAL A 328 -3.609 3.619 -11.924 1.00 0.00 H new ATOM 0 HB VAL A 328 -4.361 5.639 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -6.289 5.283 -14.254 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.190 3.884 -14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -6.717 3.803 -13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.561 6.632 -12.172 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -6.995 5.160 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -5.661 6.191 -10.701 1.00 0.00 H new ATOM 275 N CYS A 329 -5.714 3.844 -9.446 1.00 0.00 N ATOM 276 CA CYS A 329 -5.829 4.156 -7.996 1.00 0.00 C ATOM 277 C CYS A 329 -6.035 2.855 -7.220 1.00 0.00 C ATOM 278 O CYS A 329 -6.049 2.838 -6.004 1.00 0.00 O ATOM 279 CB CYS A 329 -7.041 5.061 -7.778 1.00 0.00 C ATOM 280 SG CYS A 329 -8.548 4.100 -8.068 1.00 0.00 S ATOM 0 H CYS A 329 -6.516 3.355 -9.844 1.00 0.00 H new ATOM 0 HA CYS A 329 -4.923 4.655 -7.651 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -7.037 5.459 -6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.001 5.914 -8.455 1.00 0.00 H new ATOM 285 N ALA A 330 -6.216 1.768 -7.919 1.00 0.00 N ATOM 286 CA ALA A 330 -6.446 0.464 -7.235 1.00 0.00 C ATOM 287 C ALA A 330 -5.171 -0.382 -7.273 1.00 0.00 C ATOM 288 O ALA A 330 -4.070 0.130 -7.227 1.00 0.00 O ATOM 289 CB ALA A 330 -7.573 -0.281 -7.950 1.00 0.00 C ATOM 0 H ALA A 330 -6.214 1.727 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.719 0.644 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.748 -1.237 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.484 0.317 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.292 -0.456 -8.989 1.00 0.00 H new ATOM 295 N CYS A 331 -5.313 -1.679 -7.350 1.00 0.00 N ATOM 296 CA CYS A 331 -4.116 -2.563 -7.381 1.00 0.00 C ATOM 297 C CYS A 331 -3.729 -2.860 -8.833 1.00 0.00 C ATOM 298 O CYS A 331 -4.403 -2.459 -9.761 1.00 0.00 O ATOM 299 CB CYS A 331 -4.440 -3.867 -6.652 1.00 0.00 C ATOM 300 SG CYS A 331 -2.956 -4.895 -6.547 1.00 0.00 S ATOM 0 H CYS A 331 -6.210 -2.163 -7.393 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.280 -2.067 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -4.816 -3.651 -5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.228 -4.403 -7.180 1.00 0.00 H new ATOM 305 N HIS A 332 -2.637 -3.547 -9.033 1.00 0.00 N ATOM 306 CA HIS A 332 -2.189 -3.859 -10.421 1.00 0.00 C ATOM 307 C HIS A 332 -3.289 -4.598 -11.186 1.00 0.00 C ATOM 308 O HIS A 332 -3.537 -4.322 -12.343 1.00 0.00 O ATOM 309 CB HIS A 332 -0.937 -4.738 -10.362 1.00 0.00 C ATOM 310 CG HIS A 332 -0.404 -4.951 -11.753 1.00 0.00 C ATOM 311 ND1 HIS A 332 -0.052 -3.894 -12.583 1.00 0.00 N ATOM 312 CD2 HIS A 332 -0.150 -6.093 -12.472 1.00 0.00 C ATOM 313 CE1 HIS A 332 0.389 -4.420 -13.742 1.00 0.00 C ATOM 314 NE2 HIS A 332 0.349 -5.753 -13.723 1.00 0.00 N ATOM 0 H HIS A 332 -2.034 -3.907 -8.293 1.00 0.00 H new ATOM 0 HA HIS A 332 -1.967 -2.925 -10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -0.178 -4.265 -9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.175 -5.697 -9.902 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -0.313 -7.101 -12.119 1.00 0.00 H new ATOM 0 HE1 HIS A 332 0.732 -3.835 -14.582 1.00 0.00 H new ATOM 0 HE2 HIS A 332 0.627 -6.389 -14.470 1.00 0.00 H new ATOM 323 N LEU A 333 -3.942 -5.546 -10.565 1.00 0.00 N ATOM 324 CA LEU A 333 -5.011 -6.304 -11.281 1.00 0.00 C ATOM 325 C LEU A 333 -6.223 -6.509 -10.370 1.00 0.00 C ATOM 326 O LEU A 333 -7.266 -5.918 -10.561 1.00 0.00 O ATOM 327 CB LEU A 333 -4.468 -7.673 -11.701 1.00 0.00 C ATOM 328 CG LEU A 333 -3.280 -7.497 -12.650 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.590 -8.846 -12.857 1.00 0.00 C ATOM 330 CD2 LEU A 333 -3.769 -6.970 -14.004 1.00 0.00 C ATOM 0 H LEU A 333 -3.782 -5.827 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 333 -5.316 -5.734 -12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.160 -8.237 -10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.253 -8.250 -12.191 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.578 -6.785 -12.216 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -1.744 -8.722 -13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.236 -9.225 -11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.298 -9.554 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.919 -6.847 -14.675 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.474 -7.680 -14.438 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.263 -6.008 -13.863 1.00 0.00 H new ATOM 342 N CYS A 334 -6.096 -7.362 -9.393 1.00 0.00 N ATOM 343 CA CYS A 334 -7.241 -7.634 -8.477 1.00 0.00 C ATOM 344 C CYS A 334 -7.935 -6.321 -8.089 1.00 0.00 C ATOM 345 O CYS A 334 -9.112 -6.302 -7.790 1.00 0.00 O ATOM 346 CB CYS A 334 -6.730 -8.350 -7.223 1.00 0.00 C ATOM 347 SG CYS A 334 -5.799 -7.192 -6.191 1.00 0.00 S ATOM 0 H CYS A 334 -5.245 -7.885 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.965 -8.270 -8.987 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.569 -8.760 -6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.096 -9.190 -7.506 1.00 0.00 H new ATOM 352 N GLY A 335 -7.225 -5.226 -8.098 1.00 0.00 N ATOM 353 CA GLY A 335 -7.863 -3.923 -7.738 1.00 0.00 C ATOM 354 C GLY A 335 -7.623 -3.622 -6.256 1.00 0.00 C ATOM 355 O GLY A 335 -8.026 -2.599 -5.742 1.00 0.00 O ATOM 0 H GLY A 335 -6.235 -5.175 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -7.450 -3.123 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -8.933 -3.962 -7.942 1.00 0.00 H new ATOM 359 N GLY A 336 -6.962 -4.505 -5.570 1.00 0.00 N ATOM 360 CA GLY A 336 -6.678 -4.280 -4.124 1.00 0.00 C ATOM 361 C GLY A 336 -7.890 -4.679 -3.284 1.00 0.00 C ATOM 362 O GLY A 336 -7.880 -4.564 -2.076 1.00 0.00 O ATOM 0 H GLY A 336 -6.602 -5.381 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -5.808 -4.863 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.435 -3.231 -3.952 1.00 0.00 H new ATOM 366 N ARG A 337 -8.934 -5.151 -3.907 1.00 0.00 N ATOM 367 CA ARG A 337 -10.138 -5.554 -3.129 1.00 0.00 C ATOM 368 C ARG A 337 -9.750 -6.636 -2.120 1.00 0.00 C ATOM 369 O ARG A 337 -10.302 -6.720 -1.040 1.00 0.00 O ATOM 370 CB ARG A 337 -11.209 -6.096 -4.078 1.00 0.00 C ATOM 371 CG ARG A 337 -11.663 -4.981 -5.024 1.00 0.00 C ATOM 372 CD ARG A 337 -12.840 -5.473 -5.868 1.00 0.00 C ATOM 373 NE ARG A 337 -13.119 -4.488 -6.951 1.00 0.00 N ATOM 374 CZ ARG A 337 -12.431 -4.525 -8.060 1.00 0.00 C ATOM 375 NH1 ARG A 337 -11.499 -5.424 -8.220 1.00 0.00 N ATOM 376 NH2 ARG A 337 -12.675 -3.663 -9.008 1.00 0.00 N ATOM 0 H ARG A 337 -9.005 -5.275 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.535 -4.688 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -10.812 -6.934 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.058 -6.473 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -11.956 -4.101 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -10.839 -4.681 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -12.611 -6.448 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -13.723 -5.601 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 337 -13.847 -3.785 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -11.308 -6.098 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -10.962 -5.453 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -13.403 -2.960 -8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -12.137 -3.692 -9.874 1.00 0.00 H new ATOM 390 N GLN A 338 -8.803 -7.466 -2.464 1.00 0.00 N ATOM 391 CA GLN A 338 -8.378 -8.545 -1.529 1.00 0.00 C ATOM 392 C GLN A 338 -7.887 -7.926 -0.218 1.00 0.00 C ATOM 393 O GLN A 338 -8.118 -8.452 0.853 1.00 0.00 O ATOM 394 CB GLN A 338 -7.241 -9.344 -2.168 1.00 0.00 C ATOM 395 CG GLN A 338 -7.747 -10.023 -3.441 1.00 0.00 C ATOM 396 CD GLN A 338 -6.622 -10.861 -4.052 1.00 0.00 C ATOM 397 OE1 GLN A 338 -6.380 -11.974 -3.630 1.00 0.00 O ATOM 398 NE2 GLN A 338 -5.919 -10.366 -5.033 1.00 0.00 N ATOM 0 H GLN A 338 -8.305 -7.443 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.223 -9.203 -1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -6.406 -8.684 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -6.869 -10.092 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -8.604 -10.656 -3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -8.086 -9.273 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -6.124 -9.431 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -5.165 -10.914 -5.447 1.00 0.00 H new ATOM 407 N ASP A 339 -7.209 -6.814 -0.293 1.00 0.00 N ATOM 408 CA ASP A 339 -6.703 -6.163 0.949 1.00 0.00 C ATOM 409 C ASP A 339 -6.164 -4.770 0.615 1.00 0.00 C ATOM 410 O ASP A 339 -4.971 -4.561 0.527 1.00 0.00 O ATOM 411 CB ASP A 339 -5.581 -7.014 1.549 1.00 0.00 C ATOM 412 CG ASP A 339 -5.461 -6.719 3.045 1.00 0.00 C ATOM 413 OD1 ASP A 339 -6.235 -7.280 3.804 1.00 0.00 O ATOM 414 OD2 ASP A 339 -4.597 -5.937 3.407 1.00 0.00 O ATOM 0 H ASP A 339 -6.983 -6.328 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.517 -6.073 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.789 -8.072 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -4.638 -6.797 1.048 1.00 0.00 H new ATOM 419 N PRO A 340 -7.046 -3.827 0.431 1.00 0.00 N ATOM 420 CA PRO A 340 -6.670 -2.421 0.099 1.00 0.00 C ATOM 421 C PRO A 340 -5.830 -1.769 1.203 1.00 0.00 C ATOM 422 O PRO A 340 -5.126 -0.805 0.976 1.00 0.00 O ATOM 423 CB PRO A 340 -8.011 -1.690 -0.040 1.00 0.00 C ATOM 424 CG PRO A 340 -9.057 -2.752 -0.157 1.00 0.00 C ATOM 425 CD PRO A 340 -8.499 -3.998 0.522 1.00 0.00 C ATOM 0 HA PRO A 340 -6.058 -2.379 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -8.198 -1.053 0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -8.013 -1.044 -0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.985 -2.435 0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.288 -2.953 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.829 -4.070 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.827 -4.908 0.019 1.00 0.00 H new ATOM 433 N ASP A 341 -5.913 -2.283 2.399 1.00 0.00 N ATOM 434 CA ASP A 341 -5.141 -1.694 3.526 1.00 0.00 C ATOM 435 C ASP A 341 -3.634 -1.820 3.275 1.00 0.00 C ATOM 436 O ASP A 341 -2.858 -1.004 3.731 1.00 0.00 O ATOM 437 CB ASP A 341 -5.502 -2.432 4.815 1.00 0.00 C ATOM 438 CG ASP A 341 -6.959 -2.142 5.178 1.00 0.00 C ATOM 439 OD1 ASP A 341 -7.529 -1.242 4.584 1.00 0.00 O ATOM 440 OD2 ASP A 341 -7.481 -2.824 6.045 1.00 0.00 O ATOM 0 H ASP A 341 -6.486 -3.090 2.644 1.00 0.00 H new ATOM 0 HA ASP A 341 -5.392 -0.637 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -5.355 -3.504 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.844 -2.115 5.624 1.00 0.00 H new ATOM 445 N LYS A 342 -3.212 -2.837 2.568 1.00 0.00 N ATOM 446 CA LYS A 342 -1.750 -3.010 2.311 1.00 0.00 C ATOM 447 C LYS A 342 -1.476 -3.075 0.806 1.00 0.00 C ATOM 448 O LYS A 342 -1.182 -4.121 0.263 1.00 0.00 O ATOM 449 CB LYS A 342 -1.271 -4.304 2.975 1.00 0.00 C ATOM 450 CG LYS A 342 -1.488 -4.206 4.487 1.00 0.00 C ATOM 451 CD LYS A 342 -0.779 -5.369 5.186 1.00 0.00 C ATOM 452 CE LYS A 342 -1.430 -6.691 4.777 1.00 0.00 C ATOM 453 NZ LYS A 342 -0.559 -7.387 3.790 1.00 0.00 N ATOM 0 H LYS A 342 -3.813 -3.552 2.159 1.00 0.00 H new ATOM 0 HA LYS A 342 -1.213 -2.158 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.817 -5.157 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.216 -4.469 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -1.103 -3.256 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.554 -4.228 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 342 0.278 -5.376 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.835 -5.244 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.581 -7.321 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -2.413 -6.506 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -1.081 -7.523 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 0.289 -6.812 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -0.275 -8.313 4.170 1.00 0.00 H new ATOM 467 N GLN A 343 -1.551 -1.956 0.136 1.00 0.00 N ATOM 468 CA GLN A 343 -1.278 -1.930 -1.329 1.00 0.00 C ATOM 469 C GLN A 343 -0.020 -1.092 -1.582 1.00 0.00 C ATOM 470 O GLN A 343 0.131 -0.013 -1.045 1.00 0.00 O ATOM 471 CB GLN A 343 -2.469 -1.310 -2.061 1.00 0.00 C ATOM 472 CG GLN A 343 -2.238 -1.378 -3.572 1.00 0.00 C ATOM 473 CD GLN A 343 -2.374 -2.826 -4.046 1.00 0.00 C ATOM 474 OE1 GLN A 343 -3.393 -3.454 -3.836 1.00 0.00 O ATOM 475 NE2 GLN A 343 -1.382 -3.387 -4.682 1.00 0.00 N ATOM 0 H GLN A 343 -1.791 -1.053 0.545 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.125 -2.944 -1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.385 -1.840 -1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.600 -0.274 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.960 -0.746 -4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.247 -0.996 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -0.526 -2.860 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -1.462 -4.352 -5.003 1.00 0.00 H new ATOM 484 N LEU A 344 0.890 -1.583 -2.381 1.00 0.00 N ATOM 485 CA LEU A 344 2.140 -0.815 -2.646 1.00 0.00 C ATOM 486 C LEU A 344 2.074 -0.154 -4.026 1.00 0.00 C ATOM 487 O LEU A 344 1.813 -0.801 -5.026 1.00 0.00 O ATOM 488 CB LEU A 344 3.335 -1.771 -2.598 1.00 0.00 C ATOM 489 CG LEU A 344 4.646 -0.983 -2.717 1.00 0.00 C ATOM 490 CD1 LEU A 344 5.018 -0.381 -1.358 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.759 -1.926 -3.176 1.00 0.00 C ATOM 0 H LEU A 344 0.821 -2.481 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 344 2.251 -0.040 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.323 -2.334 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.263 -2.497 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 344 4.519 -0.179 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.950 0.177 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.225 0.289 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.145 -1.181 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.693 -1.371 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.879 -2.728 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.499 -2.351 -4.145 1.00 0.00 H new ATOM 503 N MET A 345 2.327 1.132 -4.081 1.00 0.00 N ATOM 504 CA MET A 345 2.302 1.858 -5.377 1.00 0.00 C ATOM 505 C MET A 345 3.641 2.559 -5.609 1.00 0.00 C ATOM 506 O MET A 345 4.325 2.942 -4.681 1.00 0.00 O ATOM 507 CB MET A 345 1.185 2.897 -5.358 1.00 0.00 C ATOM 508 CG MET A 345 -0.168 2.203 -5.529 1.00 0.00 C ATOM 509 SD MET A 345 -1.450 3.447 -5.817 1.00 0.00 S ATOM 510 CE MET A 345 -2.862 2.318 -5.835 1.00 0.00 C ATOM 0 H MET A 345 2.551 1.710 -3.271 1.00 0.00 H new ATOM 0 HA MET A 345 2.126 1.144 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 345 1.205 3.449 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.336 3.622 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 345 -0.128 1.506 -6.366 1.00 0.00 H new ATOM 0 HG3 MET A 345 -0.405 1.620 -4.639 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.192 2.165 -6.862 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.569 1.362 -5.402 1.00 0.00 H new ATOM 0 HE3 MET A 345 -3.677 2.746 -5.252 1.00 0.00 H new ATOM 520 N CYS A 346 4.013 2.740 -6.848 1.00 0.00 N ATOM 521 CA CYS A 346 5.301 3.426 -7.153 1.00 0.00 C ATOM 522 C CYS A 346 5.033 4.925 -7.305 1.00 0.00 C ATOM 523 O CYS A 346 4.154 5.337 -8.033 1.00 0.00 O ATOM 524 CB CYS A 346 5.875 2.856 -8.453 1.00 0.00 C ATOM 525 SG CYS A 346 7.254 3.876 -9.037 1.00 0.00 S ATOM 0 H CYS A 346 3.479 2.441 -7.664 1.00 0.00 H new ATOM 0 HA CYS A 346 6.019 3.267 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.215 1.833 -8.290 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.096 2.816 -9.215 1.00 0.00 H new ATOM 530 N ASP A 347 5.765 5.748 -6.610 1.00 0.00 N ATOM 531 CA ASP A 347 5.524 7.215 -6.710 1.00 0.00 C ATOM 532 C ASP A 347 5.603 7.660 -8.170 1.00 0.00 C ATOM 533 O ASP A 347 4.815 8.463 -8.629 1.00 0.00 O ATOM 534 CB ASP A 347 6.588 7.960 -5.901 1.00 0.00 C ATOM 535 CG ASP A 347 6.127 9.398 -5.656 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.989 9.699 -5.982 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.919 10.175 -5.148 1.00 0.00 O ATOM 0 H ASP A 347 6.517 5.471 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 347 4.532 7.440 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 347 6.758 7.454 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 347 7.537 7.957 -6.438 1.00 0.00 H new ATOM 542 N GLU A 348 6.556 7.157 -8.898 1.00 0.00 N ATOM 543 CA GLU A 348 6.701 7.560 -10.325 1.00 0.00 C ATOM 544 C GLU A 348 5.587 6.944 -11.180 1.00 0.00 C ATOM 545 O GLU A 348 5.140 7.538 -12.143 1.00 0.00 O ATOM 546 CB GLU A 348 8.060 7.097 -10.842 1.00 0.00 C ATOM 547 CG GLU A 348 8.314 7.708 -12.222 1.00 0.00 C ATOM 548 CD GLU A 348 8.468 9.223 -12.088 1.00 0.00 C ATOM 549 OE1 GLU A 348 8.834 9.669 -11.013 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.219 9.914 -13.064 1.00 0.00 O ATOM 0 H GLU A 348 7.245 6.481 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 348 6.627 8.645 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.846 7.397 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.087 6.009 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.214 7.278 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.488 7.474 -12.893 1.00 0.00 H new ATOM 557 N CYS A 349 5.143 5.758 -10.850 1.00 0.00 N ATOM 558 CA CYS A 349 4.068 5.107 -11.663 1.00 0.00 C ATOM 559 C CYS A 349 2.852 4.807 -10.783 1.00 0.00 C ATOM 560 O CYS A 349 2.974 4.317 -9.680 1.00 0.00 O ATOM 561 CB CYS A 349 4.597 3.795 -12.248 1.00 0.00 C ATOM 562 SG CYS A 349 6.346 3.982 -12.678 1.00 0.00 S ATOM 0 H CYS A 349 5.476 5.212 -10.055 1.00 0.00 H new ATOM 0 HA CYS A 349 3.774 5.782 -12.467 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.474 2.988 -11.526 1.00 0.00 H new ATOM 0 HB3 CYS A 349 4.022 3.522 -13.133 1.00 0.00 H new ATOM 567 N ASP A 350 1.674 5.089 -11.270 1.00 0.00 N ATOM 568 CA ASP A 350 0.450 4.815 -10.466 1.00 0.00 C ATOM 569 C ASP A 350 0.151 3.318 -10.495 1.00 0.00 C ATOM 570 O ASP A 350 -0.951 2.883 -10.230 1.00 0.00 O ATOM 571 CB ASP A 350 -0.734 5.588 -11.051 1.00 0.00 C ATOM 572 CG ASP A 350 -0.501 7.090 -10.876 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.394 7.447 -10.126 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.219 7.857 -11.494 1.00 0.00 O ATOM 0 H ASP A 350 1.507 5.497 -12.190 1.00 0.00 H new ATOM 0 HA ASP A 350 0.612 5.134 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.852 5.348 -12.108 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.657 5.292 -10.552 1.00 0.00 H new ATOM 579 N MET A 351 1.135 2.529 -10.815 1.00 0.00 N ATOM 580 CA MET A 351 0.932 1.055 -10.866 1.00 0.00 C ATOM 581 C MET A 351 1.332 0.450 -9.519 1.00 0.00 C ATOM 582 O MET A 351 2.153 1.002 -8.807 1.00 0.00 O ATOM 583 CB MET A 351 1.804 0.462 -11.973 1.00 0.00 C ATOM 584 CG MET A 351 1.371 1.040 -13.323 1.00 0.00 C ATOM 585 SD MET A 351 2.271 0.207 -14.655 1.00 0.00 S ATOM 586 CE MET A 351 1.413 -1.384 -14.556 1.00 0.00 C ATOM 0 H MET A 351 2.078 2.843 -11.045 1.00 0.00 H new ATOM 0 HA MET A 351 -0.115 0.831 -11.072 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.853 0.690 -11.787 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.711 -0.624 -11.983 1.00 0.00 H new ATOM 0 HG2 MET A 351 0.297 0.910 -13.459 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.568 2.112 -13.352 1.00 0.00 H new ATOM 0 HE1 MET A 351 1.064 -1.671 -15.548 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.097 -2.144 -14.178 1.00 0.00 H new ATOM 0 HE3 MET A 351 0.561 -1.296 -13.882 1.00 0.00 H new ATOM 596 N ALA A 352 0.755 -0.668 -9.155 1.00 0.00 N ATOM 597 CA ALA A 352 1.105 -1.290 -7.843 1.00 0.00 C ATOM 598 C ALA A 352 1.756 -2.650 -8.052 1.00 0.00 C ATOM 599 O ALA A 352 2.007 -3.071 -9.165 1.00 0.00 O ATOM 600 CB ALA A 352 -0.165 -1.459 -7.007 1.00 0.00 C ATOM 0 H ALA A 352 0.061 -1.173 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 352 1.809 -0.640 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.088 -1.913 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.621 -0.484 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.868 -2.101 -7.538 1.00 0.00 H new ATOM 606 N PHE A 353 2.041 -3.332 -6.976 1.00 0.00 N ATOM 607 CA PHE A 353 2.692 -4.666 -7.085 1.00 0.00 C ATOM 608 C PHE A 353 1.814 -5.740 -6.439 1.00 0.00 C ATOM 609 O PHE A 353 1.378 -5.606 -5.312 1.00 0.00 O ATOM 610 CB PHE A 353 4.045 -4.609 -6.379 1.00 0.00 C ATOM 611 CG PHE A 353 4.930 -3.619 -7.093 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.875 -2.261 -6.761 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.804 -4.060 -8.091 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.697 -1.344 -7.426 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.627 -3.146 -8.757 1.00 0.00 C ATOM 616 CZ PHE A 353 6.574 -1.788 -8.424 1.00 0.00 C ATOM 0 H PHE A 353 1.850 -3.021 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 353 2.829 -4.920 -8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.914 -4.314 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.510 -5.595 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.198 -1.920 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.844 -5.108 -8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.655 -0.296 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.302 -3.488 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.210 -1.082 -8.937 1.00 0.00 H new ATOM 626 N HIS A 354 1.559 -6.807 -7.144 1.00 0.00 N ATOM 627 CA HIS A 354 0.718 -7.899 -6.578 1.00 0.00 C ATOM 628 C HIS A 354 1.482 -8.644 -5.485 1.00 0.00 C ATOM 629 O HIS A 354 1.091 -9.720 -5.081 1.00 0.00 O ATOM 630 CB HIS A 354 0.344 -8.888 -7.677 1.00 0.00 C ATOM 631 CG HIS A 354 -1.091 -8.681 -8.069 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.907 -9.722 -8.481 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.872 -7.560 -8.088 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.126 -9.207 -8.723 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.162 -7.891 -8.496 1.00 0.00 N ATOM 0 H HIS A 354 1.898 -6.970 -8.092 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.183 -7.455 -6.155 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.992 -8.749 -8.542 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.493 -9.910 -7.328 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -1.634 -10.699 -8.582 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.539 -6.567 -7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.973 -9.787 -9.060 1.00 0.00 H new ATOM 643 N ILE A 355 2.568 -8.100 -5.009 1.00 0.00 N ATOM 644 CA ILE A 355 3.337 -8.813 -3.950 1.00 0.00 C ATOM 645 C ILE A 355 2.353 -9.368 -2.917 1.00 0.00 C ATOM 646 O ILE A 355 2.480 -10.485 -2.458 1.00 0.00 O ATOM 647 CB ILE A 355 4.320 -7.846 -3.278 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.847 -8.465 -1.974 1.00 0.00 C ATOM 649 CG2 ILE A 355 3.627 -6.511 -2.985 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.092 -7.895 -0.771 1.00 0.00 C ATOM 0 H ILE A 355 2.953 -7.203 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 355 3.905 -9.632 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 355 5.158 -7.665 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 355 4.730 -9.548 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.913 -8.262 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 355 4.333 -5.831 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 355 3.274 -6.072 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 355 2.780 -6.679 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 355 4.476 -8.343 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 355 4.231 -6.815 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.030 -8.121 -0.868 1.00 0.00 H new ATOM 662 N TYR A 356 1.367 -8.599 -2.563 1.00 0.00 N ATOM 663 CA TYR A 356 0.360 -9.077 -1.578 1.00 0.00 C ATOM 664 C TYR A 356 -0.559 -10.115 -2.226 1.00 0.00 C ATOM 665 O TYR A 356 -0.945 -11.090 -1.612 1.00 0.00 O ATOM 666 CB TYR A 356 -0.482 -7.894 -1.102 1.00 0.00 C ATOM 667 CG TYR A 356 -1.575 -8.398 -0.196 1.00 0.00 C ATOM 668 CD1 TYR A 356 -1.354 -8.508 1.181 1.00 0.00 C ATOM 669 CD2 TYR A 356 -2.813 -8.762 -0.739 1.00 0.00 C ATOM 670 CE1 TYR A 356 -2.371 -8.981 2.018 1.00 0.00 C ATOM 671 CE2 TYR A 356 -3.831 -9.235 0.098 1.00 0.00 C ATOM 672 CZ TYR A 356 -3.610 -9.344 1.476 1.00 0.00 C ATOM 673 OH TYR A 356 -4.613 -9.810 2.301 1.00 0.00 O ATOM 0 H TYR A 356 1.213 -7.654 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 356 0.878 -9.532 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 356 0.144 -7.176 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -0.913 -7.372 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -0.398 -8.228 1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -2.983 -8.678 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -2.200 -9.066 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -4.787 -9.516 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 356 -4.521 -9.406 3.189 1.00 0.00 H new ATOM 683 N CYS A 357 -0.930 -9.896 -3.457 1.00 0.00 N ATOM 684 CA CYS A 357 -1.845 -10.846 -4.148 1.00 0.00 C ATOM 685 C CYS A 357 -1.076 -12.093 -4.592 1.00 0.00 C ATOM 686 O CYS A 357 -1.433 -13.207 -4.258 1.00 0.00 O ATOM 687 CB CYS A 357 -2.447 -10.144 -5.368 1.00 0.00 C ATOM 688 SG CYS A 357 -2.418 -8.350 -5.098 1.00 0.00 S ATOM 0 H CYS A 357 -0.637 -9.095 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.637 -11.155 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.882 -10.398 -6.265 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.470 -10.483 -5.530 1.00 0.00 H new ATOM 693 N LEU A 358 -0.030 -11.916 -5.345 1.00 0.00 N ATOM 694 CA LEU A 358 0.764 -13.084 -5.819 1.00 0.00 C ATOM 695 C LEU A 358 1.486 -13.750 -4.648 1.00 0.00 C ATOM 696 O LEU A 358 1.665 -14.952 -4.619 1.00 0.00 O ATOM 697 CB LEU A 358 1.804 -12.604 -6.830 1.00 0.00 C ATOM 698 CG LEU A 358 1.147 -12.411 -8.199 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.009 -11.477 -9.056 1.00 0.00 C ATOM 700 CD2 LEU A 358 1.029 -13.767 -8.900 1.00 0.00 C ATOM 0 H LEU A 358 0.313 -11.007 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 358 0.089 -13.805 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.246 -11.666 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.614 -13.330 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 358 0.157 -11.975 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 358 1.540 -11.341 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.102 -10.511 -8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.999 -11.914 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 358 0.561 -13.633 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 358 2.022 -14.197 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 358 0.419 -14.438 -8.295 1.00 0.00 H new ATOM 712 N ASP A 359 1.920 -12.980 -3.695 1.00 0.00 N ATOM 713 CA ASP A 359 2.652 -13.564 -2.539 1.00 0.00 C ATOM 714 C ASP A 359 3.945 -14.222 -3.038 1.00 0.00 C ATOM 715 O ASP A 359 4.190 -15.388 -2.797 1.00 0.00 O ATOM 716 CB ASP A 359 1.774 -14.615 -1.856 1.00 0.00 C ATOM 717 CG ASP A 359 2.241 -14.811 -0.413 1.00 0.00 C ATOM 718 OD1 ASP A 359 3.433 -14.979 -0.214 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.399 -14.788 0.469 1.00 0.00 O ATOM 0 H ASP A 359 1.800 -11.968 -3.665 1.00 0.00 H new ATOM 0 HA ASP A 359 2.895 -12.777 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.731 -14.299 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.829 -15.559 -2.399 1.00 0.00 H new ATOM 724 N PRO A 360 4.768 -13.471 -3.726 1.00 0.00 N ATOM 725 CA PRO A 360 6.067 -13.968 -4.269 1.00 0.00 C ATOM 726 C PRO A 360 7.138 -14.070 -3.181 1.00 0.00 C ATOM 727 O PRO A 360 6.994 -13.514 -2.111 1.00 0.00 O ATOM 728 CB PRO A 360 6.455 -12.898 -5.291 1.00 0.00 C ATOM 729 CG PRO A 360 5.827 -11.642 -4.792 1.00 0.00 C ATOM 730 CD PRO A 360 4.549 -12.055 -4.062 1.00 0.00 C ATOM 0 HA PRO A 360 5.980 -14.969 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.538 -12.796 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.091 -13.153 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.502 -11.111 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.601 -10.967 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.389 -11.453 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.670 -11.927 -4.694 1.00 0.00 H new ATOM 738 N PRO A 361 8.213 -14.764 -3.450 1.00 0.00 N ATOM 739 CA PRO A 361 9.322 -14.916 -2.473 1.00 0.00 C ATOM 740 C PRO A 361 9.651 -13.590 -1.782 1.00 0.00 C ATOM 741 O PRO A 361 10.331 -13.554 -0.775 1.00 0.00 O ATOM 742 CB PRO A 361 10.496 -15.384 -3.331 1.00 0.00 C ATOM 743 CG PRO A 361 9.881 -16.088 -4.496 1.00 0.00 C ATOM 744 CD PRO A 361 8.490 -15.484 -4.706 1.00 0.00 C ATOM 0 HA PRO A 361 9.074 -15.609 -1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.104 -14.541 -3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.151 -16.051 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.494 -15.963 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 361 9.811 -17.159 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.474 -14.810 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.745 -16.257 -4.894 1.00 0.00 H new ATOM 752 N LEU A 362 9.164 -12.498 -2.313 1.00 0.00 N ATOM 753 CA LEU A 362 9.439 -11.178 -1.682 1.00 0.00 C ATOM 754 C LEU A 362 8.378 -10.903 -0.614 1.00 0.00 C ATOM 755 O LEU A 362 7.195 -11.041 -0.853 1.00 0.00 O ATOM 756 CB LEU A 362 9.377 -10.075 -2.744 1.00 0.00 C ATOM 757 CG LEU A 362 10.349 -10.392 -3.881 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.338 -9.244 -4.895 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.761 -10.553 -3.313 1.00 0.00 C ATOM 0 H LEU A 362 8.589 -12.466 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 362 10.431 -11.192 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.363 -9.990 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.628 -9.113 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 362 10.045 -11.316 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 362 11.031 -9.468 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.333 -9.125 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.643 -8.321 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.455 -10.779 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 362 12.064 -9.628 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.771 -11.367 -2.588 1.00 0.00 H new ATOM 771 N SER A 363 8.790 -10.515 0.560 1.00 0.00 N ATOM 772 CA SER A 363 7.806 -10.230 1.643 1.00 0.00 C ATOM 773 C SER A 363 8.195 -8.933 2.352 1.00 0.00 C ATOM 774 O SER A 363 7.926 -8.754 3.524 1.00 0.00 O ATOM 775 CB SER A 363 7.806 -11.381 2.648 1.00 0.00 C ATOM 776 OG SER A 363 8.933 -11.257 3.504 1.00 0.00 O ATOM 0 H SER A 363 9.768 -10.382 0.818 1.00 0.00 H new ATOM 0 HA SER A 363 6.810 -10.126 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 363 6.887 -11.368 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 363 7.836 -12.336 2.124 1.00 0.00 H new ATOM 0 HG SER A 363 8.830 -10.462 4.068 1.00 0.00 H new ATOM 782 N SER A 364 8.833 -8.031 1.653 1.00 0.00 N ATOM 783 CA SER A 364 9.248 -6.747 2.287 1.00 0.00 C ATOM 784 C SER A 364 8.712 -5.570 1.474 1.00 0.00 C ATOM 785 O SER A 364 8.559 -5.649 0.272 1.00 0.00 O ATOM 786 CB SER A 364 10.775 -6.677 2.335 1.00 0.00 C ATOM 787 OG SER A 364 11.273 -7.790 3.068 1.00 0.00 O ATOM 0 H SER A 364 9.084 -8.129 0.669 1.00 0.00 H new ATOM 0 HA SER A 364 8.845 -6.698 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 364 11.183 -6.681 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 364 11.093 -5.746 2.804 1.00 0.00 H new ATOM 0 HG SER A 364 12.252 -7.750 3.099 1.00 0.00 H new ATOM 793 N VAL A 365 8.430 -4.474 2.123 1.00 0.00 N ATOM 794 CA VAL A 365 7.910 -3.288 1.391 1.00 0.00 C ATOM 795 C VAL A 365 9.068 -2.304 1.143 1.00 0.00 C ATOM 796 O VAL A 365 9.653 -1.798 2.080 1.00 0.00 O ATOM 797 CB VAL A 365 6.838 -2.600 2.237 1.00 0.00 C ATOM 798 CG1 VAL A 365 5.500 -3.319 2.052 1.00 0.00 C ATOM 799 CG2 VAL A 365 7.242 -2.653 3.713 1.00 0.00 C ATOM 0 H VAL A 365 8.538 -4.350 3.130 1.00 0.00 H new ATOM 0 HA VAL A 365 7.479 -3.602 0.440 1.00 0.00 H new ATOM 0 HB VAL A 365 6.740 -1.561 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 365 4.737 -2.828 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 365 5.210 -3.284 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 365 5.599 -4.358 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 365 6.478 -2.163 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 365 7.340 -3.692 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 365 8.195 -2.142 3.848 1.00 0.00 H new ATOM 809 N PRO A 366 9.411 -2.030 -0.098 1.00 0.00 N ATOM 810 CA PRO A 366 10.523 -1.093 -0.422 1.00 0.00 C ATOM 811 C PRO A 366 10.135 0.370 -0.187 1.00 0.00 C ATOM 812 O PRO A 366 10.916 1.274 -0.406 1.00 0.00 O ATOM 813 CB PRO A 366 10.807 -1.347 -1.901 1.00 0.00 C ATOM 814 CG PRO A 366 9.536 -1.885 -2.467 1.00 0.00 C ATOM 815 CD PRO A 366 8.785 -2.567 -1.320 1.00 0.00 C ATOM 0 HA PRO A 366 11.391 -1.264 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 366 11.103 -0.428 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 366 11.624 -2.058 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.936 -1.083 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.741 -2.595 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 366 7.719 -2.340 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.882 -3.651 -1.372 1.00 0.00 H new ATOM 823 N SER A 367 8.931 0.606 0.260 1.00 0.00 N ATOM 824 CA SER A 367 8.489 2.003 0.513 1.00 0.00 C ATOM 825 C SER A 367 9.434 2.655 1.524 1.00 0.00 C ATOM 826 O SER A 367 9.400 3.850 1.741 1.00 0.00 O ATOM 827 CB SER A 367 7.067 1.989 1.073 1.00 0.00 C ATOM 828 OG SER A 367 7.088 1.471 2.396 1.00 0.00 O ATOM 0 H SER A 367 8.235 -0.112 0.461 1.00 0.00 H new ATOM 0 HA SER A 367 8.506 2.570 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 367 6.653 2.998 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 367 6.421 1.379 0.442 1.00 0.00 H new ATOM 0 HG SER A 367 6.178 1.462 2.758 1.00 0.00 H new ATOM 834 N GLU A 368 10.277 1.876 2.146 1.00 0.00 N ATOM 835 CA GLU A 368 11.224 2.447 3.143 1.00 0.00 C ATOM 836 C GLU A 368 12.058 3.547 2.483 1.00 0.00 C ATOM 837 O GLU A 368 12.450 4.505 3.120 1.00 0.00 O ATOM 838 CB GLU A 368 12.151 1.342 3.655 1.00 0.00 C ATOM 839 CG GLU A 368 11.333 0.298 4.419 1.00 0.00 C ATOM 840 CD GLU A 368 10.691 0.947 5.647 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.150 2.006 6.042 1.00 0.00 O ATOM 842 OE2 GLU A 368 9.752 0.372 6.173 1.00 0.00 O ATOM 0 H GLU A 368 10.350 0.868 2.006 1.00 0.00 H new ATOM 0 HA GLU A 368 10.663 2.868 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 368 12.669 0.872 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 368 12.915 1.767 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.562 -0.120 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 368 11.974 -0.528 4.725 1.00 0.00 H new ATOM 849 N ASP A 369 12.328 3.423 1.210 1.00 0.00 N ATOM 850 CA ASP A 369 13.129 4.464 0.514 1.00 0.00 C ATOM 851 C ASP A 369 12.476 4.779 -0.831 1.00 0.00 C ATOM 852 O ASP A 369 11.586 4.081 -1.277 1.00 0.00 O ATOM 853 CB ASP A 369 14.554 3.952 0.290 1.00 0.00 C ATOM 854 CG ASP A 369 14.527 2.727 -0.629 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.490 2.476 -1.222 1.00 0.00 O ATOM 856 OD2 ASP A 369 15.543 2.059 -0.721 1.00 0.00 O ATOM 0 H ASP A 369 12.027 2.644 0.625 1.00 0.00 H new ATOM 0 HA ASP A 369 13.167 5.367 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 369 15.167 4.737 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 369 15.011 3.692 1.245 1.00 0.00 H new ATOM 861 N GLU A 370 12.905 5.821 -1.485 1.00 0.00 N ATOM 862 CA GLU A 370 12.296 6.165 -2.798 1.00 0.00 C ATOM 863 C GLU A 370 12.640 5.073 -3.810 1.00 0.00 C ATOM 864 O GLU A 370 13.648 5.136 -4.487 1.00 0.00 O ATOM 865 CB GLU A 370 12.850 7.506 -3.283 1.00 0.00 C ATOM 866 CG GLU A 370 12.495 8.601 -2.275 1.00 0.00 C ATOM 867 CD GLU A 370 12.984 9.953 -2.797 1.00 0.00 C ATOM 868 OE1 GLU A 370 13.698 9.961 -3.786 1.00 0.00 O ATOM 869 OE2 GLU A 370 12.636 10.957 -2.199 1.00 0.00 O ATOM 0 H GLU A 370 13.647 6.446 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 370 11.214 6.240 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 370 13.932 7.443 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 370 12.436 7.750 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 370 11.417 8.629 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.953 8.384 -1.310 1.00 0.00 H new ATOM 876 N TRP A 371 11.808 4.069 -3.918 1.00 0.00 N ATOM 877 CA TRP A 371 12.082 2.969 -4.885 1.00 0.00 C ATOM 878 C TRP A 371 11.044 3.009 -6.011 1.00 0.00 C ATOM 879 O TRP A 371 9.870 3.218 -5.778 1.00 0.00 O ATOM 880 CB TRP A 371 12.021 1.626 -4.156 1.00 0.00 C ATOM 881 CG TRP A 371 10.784 0.890 -4.547 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.528 1.243 -4.195 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.662 -0.320 -5.350 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.643 0.328 -4.730 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.292 -0.655 -5.450 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.597 -1.150 -5.994 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.865 -1.775 -6.162 1.00 0.00 C ATOM 888 CZ3 TRP A 371 11.169 -2.277 -6.714 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.805 -2.589 -6.796 1.00 0.00 C ATOM 0 H TRP A 371 10.950 3.965 -3.376 1.00 0.00 H new ATOM 0 HA TRP A 371 13.075 3.094 -5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 371 12.901 1.030 -4.399 1.00 0.00 H new ATOM 0 HB3 TRP A 371 12.033 1.787 -3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.260 2.100 -3.594 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.631 0.373 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.650 -0.919 -5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.813 -2.011 -6.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.895 -2.907 -7.207 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.482 -3.458 -7.349 1.00 0.00 H new ATOM 900 N TYR A 372 11.474 2.826 -7.232 1.00 0.00 N ATOM 901 CA TYR A 372 10.523 2.866 -8.383 1.00 0.00 C ATOM 902 C TYR A 372 10.618 1.549 -9.164 1.00 0.00 C ATOM 903 O TYR A 372 11.662 0.930 -9.218 1.00 0.00 O ATOM 904 CB TYR A 372 10.900 4.030 -9.301 1.00 0.00 C ATOM 905 CG TYR A 372 11.558 5.124 -8.493 1.00 0.00 C ATOM 906 CD1 TYR A 372 10.786 5.953 -7.672 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.943 5.308 -8.571 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.401 6.967 -6.928 1.00 0.00 C ATOM 909 CE2 TYR A 372 13.558 6.320 -7.827 1.00 0.00 C ATOM 910 CZ TYR A 372 12.787 7.152 -7.007 1.00 0.00 C ATOM 911 OH TYR A 372 13.394 8.152 -6.274 1.00 0.00 O ATOM 0 H TYR A 372 12.447 2.650 -7.483 1.00 0.00 H new ATOM 0 HA TYR A 372 9.505 3.000 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.577 3.685 -10.083 1.00 0.00 H new ATOM 0 HB3 TYR A 372 10.010 4.417 -9.798 1.00 0.00 H new ATOM 0 HD1 TYR A 372 9.717 5.811 -7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.537 4.668 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 372 10.806 7.607 -6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 372 14.627 6.459 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 372 14.359 8.142 -6.443 1.00 0.00 H new ATOM 921 N CYS A 373 9.542 1.106 -9.767 1.00 0.00 N ATOM 922 CA CYS A 373 9.605 -0.176 -10.530 1.00 0.00 C ATOM 923 C CYS A 373 10.814 -0.146 -11.474 1.00 0.00 C ATOM 924 O CYS A 373 11.503 0.848 -11.568 1.00 0.00 O ATOM 925 CB CYS A 373 8.328 -0.378 -11.358 1.00 0.00 C ATOM 926 SG CYS A 373 7.025 0.746 -10.795 1.00 0.00 S ATOM 0 H CYS A 373 8.634 1.571 -9.764 1.00 0.00 H new ATOM 0 HA CYS A 373 9.700 -0.998 -9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.539 -0.201 -12.413 1.00 0.00 H new ATOM 0 HB3 CYS A 373 7.989 -1.410 -11.270 1.00 0.00 H new ATOM 931 N PRO A 374 11.079 -1.227 -12.164 1.00 0.00 N ATOM 932 CA PRO A 374 12.233 -1.309 -13.110 1.00 0.00 C ATOM 933 C PRO A 374 12.089 -0.354 -14.303 1.00 0.00 C ATOM 934 O PRO A 374 13.065 0.124 -14.847 1.00 0.00 O ATOM 935 CB PRO A 374 12.227 -2.762 -13.605 1.00 0.00 C ATOM 936 CG PRO A 374 11.281 -3.508 -12.721 1.00 0.00 C ATOM 937 CD PRO A 374 10.318 -2.484 -12.128 1.00 0.00 C ATOM 0 HA PRO A 374 13.160 -1.022 -12.613 1.00 0.00 H new ATOM 0 HB2 PRO A 374 11.909 -2.816 -14.646 1.00 0.00 H new ATOM 0 HB3 PRO A 374 13.227 -3.193 -13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 374 10.738 -4.264 -13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 374 11.822 -4.030 -11.932 1.00 0.00 H new ATOM 0 HD2 PRO A 374 9.400 -2.413 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 374 10.029 -2.748 -11.111 1.00 0.00 H new ATOM 945 N GLU A 375 10.882 -0.088 -14.727 1.00 0.00 N ATOM 946 CA GLU A 375 10.683 0.816 -15.898 1.00 0.00 C ATOM 947 C GLU A 375 11.025 2.262 -15.532 1.00 0.00 C ATOM 948 O GLU A 375 11.599 2.989 -16.318 1.00 0.00 O ATOM 949 CB GLU A 375 9.227 0.734 -16.357 1.00 0.00 C ATOM 950 CG GLU A 375 8.339 1.406 -15.319 1.00 0.00 C ATOM 951 CD GLU A 375 6.868 1.173 -15.671 1.00 0.00 C ATOM 952 OE1 GLU A 375 6.614 0.608 -16.723 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.022 1.564 -14.884 1.00 0.00 O ATOM 0 H GLU A 375 10.026 -0.457 -14.314 1.00 0.00 H new ATOM 0 HA GLU A 375 11.346 0.498 -16.703 1.00 0.00 H new ATOM 0 HB2 GLU A 375 9.110 1.222 -17.325 1.00 0.00 H new ATOM 0 HB3 GLU A 375 8.932 -0.307 -16.487 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.554 1.005 -14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.550 2.475 -15.283 1.00 0.00 H new ATOM 960 N CYS A 376 10.672 2.691 -14.354 1.00 0.00 N ATOM 961 CA CYS A 376 10.974 4.096 -13.957 1.00 0.00 C ATOM 962 C CYS A 376 12.489 4.292 -13.901 1.00 0.00 C ATOM 963 O CYS A 376 13.003 5.348 -14.214 1.00 0.00 O ATOM 964 CB CYS A 376 10.366 4.388 -12.584 1.00 0.00 C ATOM 965 SG CYS A 376 9.834 2.841 -11.814 1.00 0.00 S ATOM 0 H CYS A 376 10.189 2.133 -13.650 1.00 0.00 H new ATOM 0 HA CYS A 376 10.545 4.780 -14.690 1.00 0.00 H new ATOM 0 HB2 CYS A 376 11.098 4.888 -11.950 1.00 0.00 H new ATOM 0 HB3 CYS A 376 9.518 5.065 -12.687 1.00 0.00 H new ATOM 970 N ARG A 377 13.205 3.281 -13.502 1.00 0.00 N ATOM 971 CA ARG A 377 14.687 3.397 -13.419 1.00 0.00 C ATOM 972 C ARG A 377 15.261 3.631 -14.819 1.00 0.00 C ATOM 973 O ARG A 377 16.336 4.174 -14.976 1.00 0.00 O ATOM 974 CB ARG A 377 15.256 2.106 -12.835 1.00 0.00 C ATOM 975 CG ARG A 377 14.670 1.892 -11.440 1.00 0.00 C ATOM 976 CD ARG A 377 15.287 0.646 -10.805 1.00 0.00 C ATOM 977 NE ARG A 377 14.538 0.305 -9.562 1.00 0.00 N ATOM 978 CZ ARG A 377 14.505 -0.927 -9.135 1.00 0.00 C ATOM 979 NH1 ARG A 377 15.139 -1.864 -9.787 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.839 -1.223 -8.053 1.00 0.00 N ATOM 0 H ARG A 377 12.827 2.374 -13.228 1.00 0.00 H new ATOM 0 HA ARG A 377 14.957 4.237 -12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.012 1.261 -13.480 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.343 2.163 -12.782 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.865 2.764 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.588 1.781 -11.503 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.252 -0.189 -11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.337 0.824 -10.573 1.00 0.00 H new ATOM 0 HE ARG A 377 14.050 1.036 -9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.661 -1.633 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 377 15.112 -2.827 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.345 -0.491 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.812 -2.186 -7.718 1.00 0.00 H new ATOM 994 N ASN A 378 14.550 3.220 -15.835 1.00 0.00 N ATOM 995 CA ASN A 378 15.047 3.414 -17.228 1.00 0.00 C ATOM 996 C ASN A 378 16.425 2.765 -17.377 1.00 0.00 C ATOM 997 O ASN A 378 17.333 3.337 -17.945 1.00 0.00 O ATOM 998 CB ASN A 378 15.148 4.910 -17.538 1.00 0.00 C ATOM 999 CG ASN A 378 13.762 5.548 -17.421 1.00 0.00 C ATOM 1000 OD1 ASN A 378 12.760 4.864 -17.461 1.00 0.00 O ATOM 1001 ND2 ASN A 378 13.664 6.842 -17.279 1.00 0.00 N ATOM 0 H ASN A 378 13.644 2.757 -15.760 1.00 0.00 H new ATOM 0 HA ASN A 378 14.350 2.949 -17.925 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.841 5.390 -16.847 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.545 5.059 -18.542 1.00 0.00 H new ATOM 0 HD21 ASN A 378 12.745 7.278 -17.202 1.00 0.00 H new ATOM 0 HD22 ASN A 378 14.506 7.417 -17.245 1.00 0.00 H new ATOM 1008 N ASP A 379 16.588 1.573 -16.871 1.00 0.00 N ATOM 1009 CA ASP A 379 17.906 0.890 -16.985 1.00 0.00 C ATOM 1010 C ASP A 379 19.019 1.855 -16.571 1.00 0.00 C ATOM 1011 O ASP A 379 19.354 1.873 -15.398 1.00 0.00 O ATOM 1012 CB ASP A 379 18.128 0.448 -18.434 1.00 0.00 C ATOM 1013 CG ASP A 379 17.116 -0.638 -18.797 1.00 0.00 C ATOM 1014 OD1 ASP A 379 16.482 -1.157 -17.893 1.00 0.00 O ATOM 1015 OD2 ASP A 379 16.991 -0.935 -19.974 1.00 0.00 O ATOM 1016 OXT ASP A 379 19.517 2.559 -17.433 1.00 0.00 O ATOM 0 H ASP A 379 15.865 1.043 -16.384 1.00 0.00 H new ATOM 0 HA ASP A 379 17.920 0.017 -16.332 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.020 1.300 -19.106 1.00 0.00 H new ATOM 0 HB3 ASP A 379 19.143 0.070 -18.559 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 9.490 6.035 -0.986 1.00 0.00 N ATOM 1023 CA ALA B 383 8.573 5.847 -2.146 1.00 0.00 C ATOM 1024 C ALA B 383 7.192 6.404 -1.800 1.00 0.00 C ATOM 1025 O ALA B 383 7.048 7.228 -0.918 1.00 0.00 O ATOM 1026 CB ALA B 383 8.451 4.356 -2.467 1.00 0.00 C ATOM 0 HA ALA B 383 8.974 6.374 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.780 4.220 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA B 383 9.434 3.955 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA B 383 8.052 3.829 -1.601 1.00 0.00 H new ATOM 1034 N ARG B 384 6.177 5.956 -2.488 1.00 0.00 N ATOM 1035 CA ARG B 384 4.800 6.449 -2.207 1.00 0.00 C ATOM 1036 C ARG B 384 3.896 5.257 -1.893 1.00 0.00 C ATOM 1037 O ARG B 384 3.977 4.224 -2.528 1.00 0.00 O ATOM 1038 CB ARG B 384 4.264 7.192 -3.434 1.00 0.00 C ATOM 1039 CG ARG B 384 2.883 7.767 -3.120 1.00 0.00 C ATOM 1040 CD ARG B 384 2.410 8.624 -4.296 1.00 0.00 C ATOM 1041 NE ARG B 384 2.095 7.743 -5.458 1.00 0.00 N ATOM 1042 CZ ARG B 384 2.148 8.216 -6.674 1.00 0.00 C ATOM 1043 NH1 ARG B 384 2.484 9.461 -6.883 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.866 7.442 -7.687 1.00 0.00 N ATOM 0 H ARG B 384 6.244 5.266 -3.236 1.00 0.00 H new ATOM 0 HA ARG B 384 4.818 7.128 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG B 384 4.948 7.993 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG B 384 4.202 6.513 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG B 384 2.174 6.960 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG B 384 2.925 8.368 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.528 9.197 -4.011 1.00 0.00 H new ATOM 0 HD3 ARG B 384 3.182 9.343 -4.570 1.00 0.00 H new ATOM 0 HE ARG B 384 1.837 6.768 -5.302 1.00 0.00 H new ATOM 0 HH11 ARG B 384 2.706 10.068 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG B 384 2.524 9.826 -7.835 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.605 6.469 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.907 7.810 -8.637 1.00 0.00 H new ATOM 1058 N THR B 385 3.039 5.390 -0.915 1.00 0.00 N ATOM 1059 CA THR B 385 2.132 4.263 -0.553 1.00 0.00 C ATOM 1060 C THR B 385 0.677 4.703 -0.718 1.00 0.00 C ATOM 1061 O THR B 385 0.298 5.792 -0.336 1.00 0.00 O ATOM 1062 CB THR B 385 2.379 3.858 0.902 1.00 0.00 C ATOM 1063 OG1 THR B 385 3.755 3.556 1.080 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.536 2.628 1.241 1.00 0.00 C ATOM 0 H THR B 385 2.928 6.232 -0.351 1.00 0.00 H new ATOM 0 HA THR B 385 2.330 3.414 -1.207 1.00 0.00 H new ATOM 0 HB THR B 385 2.099 4.680 1.561 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.915 3.298 2.012 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.713 2.340 2.277 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.480 2.862 1.104 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.814 1.804 0.583 1.00 0.00 H new ATOM 1072 N LYS B 386 -0.140 3.858 -1.284 1.00 0.00 N ATOM 1073 CA LYS B 386 -1.575 4.210 -1.479 1.00 0.00 C ATOM 1074 C LYS B 386 -2.442 3.078 -0.924 1.00 0.00 C ATOM 1075 O LYS B 386 -2.353 1.950 -1.362 1.00 0.00 O ATOM 1076 CB LYS B 386 -1.849 4.375 -2.977 1.00 0.00 C ATOM 1077 CG LYS B 386 -2.798 5.552 -3.225 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.203 5.188 -2.743 1.00 0.00 C ATOM 1079 CE LYS B 386 -5.212 6.194 -3.300 1.00 0.00 C ATOM 1080 NZ LYS B 386 -6.075 5.519 -4.312 1.00 0.00 N ATOM 0 H LYS B 386 0.126 2.933 -1.622 1.00 0.00 H new ATOM 0 HA LYS B 386 -1.808 5.140 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -0.911 4.539 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -2.285 3.459 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -2.440 6.438 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -2.819 5.798 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.461 4.180 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -4.237 5.189 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.825 6.596 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.690 7.036 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -6.048 6.054 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -5.726 4.553 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -7.054 5.478 -3.962 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.281 3.364 0.033 1.00 0.00 N ATOM 1095 CA GLN B 387 -4.148 2.293 0.601 1.00 0.00 C ATOM 1096 C GLN B 387 -5.397 2.144 -0.264 1.00 0.00 C ATOM 1097 O GLN B 387 -6.267 1.341 0.010 1.00 0.00 O ATOM 1098 CB GLN B 387 -4.548 2.663 2.031 1.00 0.00 C ATOM 1099 CG GLN B 387 -3.295 2.744 2.902 1.00 0.00 C ATOM 1100 CD GLN B 387 -3.684 3.153 4.323 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -4.780 3.626 4.553 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -2.828 2.990 5.294 1.00 0.00 N ATOM 0 H GLN B 387 -3.404 4.289 0.445 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.603 1.349 0.616 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -5.072 3.619 2.038 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -5.236 1.919 2.432 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.787 1.780 2.916 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -2.595 3.467 2.483 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -1.908 2.593 5.102 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -3.079 3.259 6.245 1.00 0.00 H new ATOM 1111 N THR B 388 -5.487 2.913 -1.313 1.00 0.00 N ATOM 1112 CA THR B 388 -6.672 2.829 -2.212 1.00 0.00 C ATOM 1113 C THR B 388 -7.955 2.845 -1.376 1.00 0.00 C ATOM 1114 O THR B 388 -7.919 2.925 -0.165 1.00 0.00 O ATOM 1115 CB THR B 388 -6.602 1.535 -3.026 1.00 0.00 C ATOM 1116 OG1 THR B 388 -7.435 0.554 -2.425 1.00 0.00 O ATOM 1117 CG2 THR B 388 -5.157 1.029 -3.063 1.00 0.00 C ATOM 0 H THR B 388 -4.786 3.601 -1.588 1.00 0.00 H new ATOM 0 HA THR B 388 -6.676 3.683 -2.889 1.00 0.00 H new ATOM 0 HB THR B 388 -6.942 1.727 -4.044 1.00 0.00 H new ATOM 0 HG1 THR B 388 -7.392 -0.275 -2.946 1.00 0.00 H new ATOM 0 HG21 THR B 388 -5.109 0.107 -3.643 1.00 0.00 H new ATOM 0 HG22 THR B 388 -4.519 1.782 -3.525 1.00 0.00 H new ATOM 0 HG23 THR B 388 -4.813 0.836 -2.047 1.00 0.00 H new ATOM 1125 N ALA B 389 -9.091 2.780 -2.015 1.00 0.00 N ATOM 1126 CA ALA B 389 -10.375 2.799 -1.258 1.00 0.00 C ATOM 1127 C ALA B 389 -10.519 1.507 -0.451 1.00 0.00 C ATOM 1128 O ALA B 389 -10.150 0.439 -0.899 1.00 0.00 O ATOM 1129 CB ALA B 389 -11.543 2.921 -2.239 1.00 0.00 C ATOM 0 H ALA B 389 -9.186 2.715 -3.028 1.00 0.00 H new ATOM 0 HA ALA B 389 -10.379 3.650 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -12.482 2.935 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -11.444 3.844 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -11.536 2.071 -2.921 1.00 0.00 H new ATOM 1135 N ARG B 390 -11.060 1.595 0.733 1.00 0.00 N ATOM 1136 CA ARG B 390 -11.237 0.373 1.567 1.00 0.00 C ATOM 1137 C ARG B 390 -12.688 -0.101 1.469 1.00 0.00 C ATOM 1138 O ARG B 390 -13.092 -1.043 2.120 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.902 0.696 3.025 1.00 0.00 C ATOM 1140 CG ARG B 390 -9.435 1.118 3.131 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.065 1.316 4.601 1.00 0.00 C ATOM 1142 NE ARG B 390 -9.983 2.318 5.213 1.00 0.00 N ATOM 1143 CZ ARG B 390 -9.882 3.578 4.892 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -8.977 3.961 4.033 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -10.686 4.456 5.427 1.00 0.00 N ATOM 0 H ARG B 390 -11.388 2.462 1.159 1.00 0.00 H new ATOM 0 HA ARG B 390 -10.572 -0.413 1.209 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -11.548 1.495 3.389 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -11.087 -0.175 3.653 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.794 0.359 2.683 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -9.270 2.042 2.576 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -9.135 0.369 5.136 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.032 1.654 4.685 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.691 2.018 5.883 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -8.349 3.275 3.613 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -8.897 4.946 3.781 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -11.394 4.157 6.097 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -10.606 5.441 5.175 1.00 0.00 H new ATOM 1159 N LYS B 391 -13.476 0.552 0.658 1.00 0.00 N ATOM 1160 CA LYS B 391 -14.903 0.150 0.513 1.00 0.00 C ATOM 1161 C LYS B 391 -14.985 -1.309 0.061 1.00 0.00 C ATOM 1162 O LYS B 391 -15.924 -2.013 0.374 1.00 0.00 O ATOM 1163 CB LYS B 391 -15.580 1.048 -0.526 1.00 0.00 C ATOM 1164 CG LYS B 391 -15.616 2.487 -0.005 1.00 0.00 C ATOM 1165 CD LYS B 391 -16.395 3.366 -0.985 1.00 0.00 C ATOM 1166 CE LYS B 391 -16.341 4.822 -0.519 1.00 0.00 C ATOM 1167 NZ LYS B 391 -17.510 5.564 -1.072 1.00 0.00 N ATOM 0 H LYS B 391 -13.191 1.349 0.088 1.00 0.00 H new ATOM 0 HA LYS B 391 -15.409 0.257 1.473 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -15.037 1.004 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -16.592 0.695 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -16.085 2.517 0.979 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -14.601 2.867 0.114 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -15.971 3.277 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -17.430 3.031 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -16.350 4.867 0.570 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -15.412 5.287 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -17.570 6.501 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -17.395 5.678 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -18.382 5.032 -0.878 1.00 0.00 H new ATOM 1181 N SER B 392 -14.011 -1.771 -0.673 1.00 0.00 N ATOM 1182 CA SER B 392 -14.041 -3.185 -1.141 1.00 0.00 C ATOM 1183 C SER B 392 -14.148 -4.104 0.074 1.00 0.00 C ATOM 1184 O SER B 392 -14.834 -5.107 0.048 1.00 0.00 O ATOM 1185 CB SER B 392 -12.756 -3.499 -1.908 1.00 0.00 C ATOM 1186 OG SER B 392 -11.655 -3.479 -1.008 1.00 0.00 O ATOM 0 H SER B 392 -13.197 -1.232 -0.969 1.00 0.00 H new ATOM 0 HA SER B 392 -14.896 -3.339 -1.799 1.00 0.00 H new ATOM 0 HB2 SER B 392 -12.833 -4.476 -2.385 1.00 0.00 H new ATOM 0 HB3 SER B 392 -12.605 -2.768 -2.702 1.00 0.00 H new ATOM 0 HG SER B 392 -11.523 -4.375 -0.633 1.00 0.00 H new ATOM 1192 N THR B 393 -13.497 -3.755 1.149 1.00 0.00 N ATOM 1193 CA THR B 393 -13.588 -4.595 2.374 1.00 0.00 C ATOM 1194 C THR B 393 -14.938 -4.324 3.030 1.00 0.00 C ATOM 1195 O THR B 393 -15.408 -5.077 3.859 1.00 0.00 O ATOM 1196 CB THR B 393 -12.462 -4.224 3.343 1.00 0.00 C ATOM 1197 OG1 THR B 393 -12.644 -2.887 3.788 1.00 0.00 O ATOM 1198 CG2 THR B 393 -11.113 -4.349 2.635 1.00 0.00 C ATOM 0 H THR B 393 -12.908 -2.927 1.231 1.00 0.00 H new ATOM 0 HA THR B 393 -13.493 -5.650 2.117 1.00 0.00 H new ATOM 0 HB THR B 393 -12.483 -4.899 4.199 1.00 0.00 H new ATOM 0 HG1 THR B 393 -12.503 -2.271 3.039 1.00 0.00 H new ATOM 0 HG21 THR B 393 -10.313 -4.084 3.327 1.00 0.00 H new ATOM 0 HG22 THR B 393 -10.974 -5.375 2.295 1.00 0.00 H new ATOM 0 HG23 THR B 393 -11.088 -3.676 1.778 1.00 0.00 H new ATOM 1206 N GLY B 394 -15.562 -3.241 2.653 1.00 0.00 N ATOM 1207 CA GLY B 394 -16.884 -2.891 3.234 1.00 0.00 C ATOM 1208 C GLY B 394 -16.845 -3.076 4.752 1.00 0.00 C ATOM 1209 O GLY B 394 -17.799 -3.614 5.289 1.00 0.00 O ATOM 1210 OXT GLY B 394 -15.861 -2.675 5.353 1.00 0.00 O ATOM 0 H GLY B 394 -15.207 -2.580 1.962 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -17.138 -1.859 2.990 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -17.661 -3.521 2.801 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -10.193 5.306 -9.127 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -3.552 -7.120 -6.685 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 7.650 2.933 -11.099 1.00 0.00 ZN