USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 378 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 189 ASN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 195 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00642) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 13:sc= 1.18 USER MOD Single : A 206 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0752) USER MOD Single : B 7 SER OG : rot 29:sc= 0.122 USER MOD Single : B 8 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-0.78) USER MOD Single : B 16 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5!) USER MOD Single : B 22 ASN : amide:sc= -0.119 K(o=-0.12,f=-1!) USER MOD Single : B 24 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.11) USER MOD Single : B 25 TYR OH : rot 180:sc= -0.0588 USER MOD Single : B 33 LYS NZ :NH3+ 155:sc= -0.0389 (180deg=-0.27) USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 188 13.113 -16.763 -1.831 1.00 0.00 N ATOM 2 CA ARG A 188 11.776 -17.004 -2.434 1.00 0.00 C ATOM 3 C ARG A 188 10.669 -16.863 -1.394 1.00 0.00 C ATOM 4 O ARG A 188 9.624 -17.506 -1.494 1.00 0.00 O ATOM 5 CB ARG A 188 11.759 -18.410 -3.039 1.00 0.00 C ATOM 6 CG ARG A 188 12.041 -18.434 -4.532 1.00 0.00 C ATOM 7 CD ARG A 188 13.515 -18.672 -4.819 1.00 0.00 C ATOM 8 NE ARG A 188 13.713 -19.557 -5.964 1.00 0.00 N ATOM 9 CZ ARG A 188 13.455 -19.210 -7.224 1.00 0.00 C ATOM 10 NH1 ARG A 188 12.990 -17.999 -7.503 1.00 0.00 N ATOM 11 NH2 ARG A 188 13.663 -20.076 -8.206 1.00 0.00 N ATOM 0 HA ARG A 188 11.594 -16.260 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 188 12.500 -19.025 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 188 10.785 -18.864 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 188 11.447 -19.217 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 188 11.731 -17.488 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 188 14.006 -17.718 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 188 13.990 -19.105 -3.939 1.00 0.00 H new ATOM 0 HE ARG A 188 14.070 -20.496 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 188 12.829 -17.329 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 188 12.794 -17.738 -8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 188 14.021 -21.008 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 188 13.465 -19.810 -9.171 1.00 0.00 H new ATOM 27 N ASN A 189 10.906 -16.017 -0.397 1.00 0.00 N ATOM 28 CA ASN A 189 9.928 -15.790 0.662 1.00 0.00 C ATOM 29 C ASN A 189 9.642 -14.300 0.825 1.00 0.00 C ATOM 30 O ASN A 189 10.202 -13.642 1.702 1.00 0.00 O ATOM 31 CB ASN A 189 10.433 -16.375 1.983 1.00 0.00 C ATOM 32 CG ASN A 189 9.330 -17.049 2.775 1.00 0.00 C ATOM 33 OD1 ASN A 189 9.501 -18.159 3.279 1.00 0.00 O ATOM 34 ND2 ASN A 189 8.189 -16.380 2.889 1.00 0.00 N ATOM 0 H ASN A 189 11.766 -15.477 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 189 9.001 -16.291 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 189 11.224 -17.097 1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 189 10.875 -15.580 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 189 7.411 -16.784 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 189 8.090 -15.462 2.455 1.00 0.00 H new ATOM 41 N ARG A 190 8.768 -13.776 -0.027 1.00 0.00 N ATOM 42 CA ARG A 190 8.407 -12.364 0.019 1.00 0.00 C ATOM 43 C ARG A 190 7.300 -12.118 1.038 1.00 0.00 C ATOM 44 O ARG A 190 6.625 -13.050 1.476 1.00 0.00 O ATOM 45 CB ARG A 190 7.962 -11.887 -1.365 1.00 0.00 C ATOM 46 CG ARG A 190 9.041 -11.136 -2.126 1.00 0.00 C ATOM 47 CD ARG A 190 9.196 -9.713 -1.614 1.00 0.00 C ATOM 48 NE ARG A 190 9.356 -8.753 -2.705 1.00 0.00 N ATOM 49 CZ ARG A 190 8.393 -8.448 -3.572 1.00 0.00 C ATOM 50 NH1 ARG A 190 7.202 -9.024 -3.479 1.00 0.00 N ATOM 51 NH2 ARG A 190 8.622 -7.565 -4.533 1.00 0.00 N ATOM 0 H ARG A 190 8.296 -14.308 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 190 9.287 -11.798 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 190 7.647 -12.749 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 190 7.091 -11.241 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 190 9.990 -11.664 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 190 8.793 -11.117 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 190 8.323 -9.444 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 190 10.061 -9.658 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 190 10.259 -8.290 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 190 7.021 -9.704 -2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 190 6.467 -8.787 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 190 9.536 -7.119 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 190 7.884 -7.331 -5.197 1.00 0.00 H new ATOM 65 N ARG A 191 7.117 -10.854 1.410 1.00 0.00 N ATOM 66 CA ARG A 191 6.092 -10.482 2.375 1.00 0.00 C ATOM 67 C ARG A 191 4.765 -10.199 1.682 1.00 0.00 C ATOM 68 O ARG A 191 4.681 -9.338 0.807 1.00 0.00 O ATOM 69 CB ARG A 191 6.526 -9.266 3.178 1.00 0.00 C ATOM 70 CG ARG A 191 8.007 -9.242 3.525 1.00 0.00 C ATOM 71 CD ARG A 191 8.481 -7.834 3.847 1.00 0.00 C ATOM 72 NE ARG A 191 9.819 -7.573 3.321 1.00 0.00 N ATOM 73 CZ ARG A 191 10.073 -7.296 2.044 1.00 0.00 C ATOM 74 NH1 ARG A 191 9.085 -7.244 1.160 1.00 0.00 N ATOM 75 NH2 ARG A 191 11.319 -7.070 1.650 1.00 0.00 N ATOM 0 H ARG A 191 7.667 -10.071 1.056 1.00 0.00 H new ATOM 0 HA ARG A 191 5.956 -11.323 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 191 6.282 -8.366 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 191 5.948 -9.229 4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 191 8.192 -9.894 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 191 8.584 -9.639 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 191 7.780 -7.111 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 191 8.482 -7.690 4.927 1.00 0.00 H new ATOM 0 HE ARG A 191 10.605 -7.605 3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 191 8.125 -7.417 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 191 9.286 -7.031 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 191 12.082 -7.108 2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 191 11.514 -6.858 0.672 1.00 0.00 H new ATOM 89 N ARG A 192 3.726 -10.930 2.079 1.00 0.00 N ATOM 90 CA ARG A 192 2.403 -10.754 1.492 1.00 0.00 C ATOM 91 C ARG A 192 1.903 -9.327 1.694 1.00 0.00 C ATOM 92 O ARG A 192 1.957 -8.789 2.800 1.00 0.00 O ATOM 93 CB ARG A 192 1.414 -11.743 2.098 1.00 0.00 C ATOM 94 CG ARG A 192 0.307 -12.157 1.140 1.00 0.00 C ATOM 95 CD ARG A 192 -0.011 -13.638 1.262 1.00 0.00 C ATOM 96 NE ARG A 192 -0.576 -14.179 0.027 1.00 0.00 N ATOM 97 CZ ARG A 192 -0.992 -15.437 -0.109 1.00 0.00 C ATOM 98 NH1 ARG A 192 -0.908 -16.285 0.909 1.00 0.00 N ATOM 99 NH2 ARG A 192 -1.495 -15.847 -1.265 1.00 0.00 N ATOM 0 H ARG A 192 3.776 -11.647 2.803 1.00 0.00 H new ATOM 0 HA ARG A 192 2.482 -10.944 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 192 1.954 -12.632 2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 192 0.967 -11.299 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -0.590 -11.573 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.607 -11.931 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 192 0.897 -14.184 1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -0.714 -13.792 2.081 1.00 0.00 H new ATOM 0 HE ARG A 192 -0.656 -13.557 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -0.523 -15.974 1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -1.228 -17.247 0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -1.563 -15.199 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -1.814 -16.810 -1.370 1.00 0.00 H new ATOM 113 N VAL A 193 1.426 -8.716 0.614 1.00 0.00 N ATOM 114 CA VAL A 193 0.924 -7.348 0.664 1.00 0.00 C ATOM 115 C VAL A 193 -0.431 -7.229 -0.033 1.00 0.00 C ATOM 116 O VAL A 193 -1.052 -8.230 -0.387 1.00 0.00 O ATOM 117 CB VAL A 193 1.921 -6.354 0.031 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.256 -6.399 0.761 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.106 -6.641 -1.453 1.00 0.00 C ATOM 0 H VAL A 193 1.377 -9.148 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 193 0.803 -7.095 1.717 1.00 0.00 H new ATOM 0 HB VAL A 193 1.510 -5.349 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 193 3.946 -5.692 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.108 -6.133 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.671 -7.405 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 193 2.813 -5.927 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.490 -7.653 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.147 -6.549 -1.964 1.00 0.00 H new ATOM 129 N CYS A 194 -0.892 -5.993 -0.185 1.00 0.00 N ATOM 130 CA CYS A 194 -2.187 -5.704 -0.790 1.00 0.00 C ATOM 131 C CYS A 194 -2.438 -6.501 -2.065 1.00 0.00 C ATOM 132 O CYS A 194 -1.625 -6.499 -2.991 1.00 0.00 O ATOM 133 CB CYS A 194 -2.291 -4.211 -1.088 1.00 0.00 C ATOM 134 SG CYS A 194 -3.862 -3.713 -1.861 1.00 0.00 S ATOM 0 H CYS A 194 -0.378 -5.162 0.108 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.950 -6.004 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.165 -3.657 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.469 -3.925 -1.744 1.00 0.00 H new ATOM 139 N LYS A 195 -3.603 -7.142 -2.114 1.00 0.00 N ATOM 140 CA LYS A 195 -4.020 -7.901 -3.272 1.00 0.00 C ATOM 141 C LYS A 195 -5.447 -7.511 -3.619 1.00 0.00 C ATOM 142 O LYS A 195 -6.382 -8.299 -3.469 1.00 0.00 O ATOM 143 CB LYS A 195 -3.937 -9.400 -3.011 1.00 0.00 C ATOM 144 CG LYS A 195 -2.862 -9.803 -2.013 1.00 0.00 C ATOM 145 CD LYS A 195 -3.050 -11.236 -1.538 1.00 0.00 C ATOM 146 CE LYS A 195 -3.055 -12.216 -2.701 1.00 0.00 C ATOM 147 NZ LYS A 195 -1.714 -12.329 -3.340 1.00 0.00 N ATOM 0 H LYS A 195 -4.278 -7.145 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.353 -7.675 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -4.904 -9.748 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -3.750 -9.912 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.879 -9.697 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -2.888 -9.129 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -2.251 -11.498 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -3.988 -11.318 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -3.372 -13.197 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -3.785 -11.894 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 -1.752 -13.032 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 -1.437 -11.406 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -1.015 -12.629 -2.630 1.00 0.00 H new ATOM 161 N CYS A 196 -5.595 -6.288 -4.087 1.00 0.00 N ATOM 162 CA CYS A 196 -6.900 -5.760 -4.472 1.00 0.00 C ATOM 163 C CYS A 196 -6.969 -5.557 -5.985 1.00 0.00 C ATOM 164 O CYS A 196 -6.081 -4.940 -6.572 1.00 0.00 O ATOM 165 CB CYS A 196 -7.183 -4.433 -3.755 1.00 0.00 C ATOM 166 SG CYS A 196 -7.472 -4.591 -1.958 1.00 0.00 S ATOM 0 H CYS A 196 -4.824 -5.632 -4.213 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.658 -6.485 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.341 -3.760 -3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -8.056 -3.967 -4.211 1.00 0.00 H new ATOM 171 N PRO A 197 -8.024 -6.074 -6.642 1.00 0.00 N ATOM 172 CA PRO A 197 -8.192 -5.942 -8.090 1.00 0.00 C ATOM 173 C PRO A 197 -8.827 -4.613 -8.487 1.00 0.00 C ATOM 174 O PRO A 197 -9.475 -4.507 -9.529 1.00 0.00 O ATOM 175 CB PRO A 197 -9.123 -7.103 -8.424 1.00 0.00 C ATOM 176 CG PRO A 197 -9.980 -7.253 -7.212 1.00 0.00 C ATOM 177 CD PRO A 197 -9.136 -6.833 -6.032 1.00 0.00 C ATOM 0 HA PRO A 197 -7.241 -5.963 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -9.721 -6.890 -9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.563 -8.015 -8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -10.873 -6.633 -7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.316 -8.284 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.704 -6.218 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.772 -7.696 -5.474 1.00 0.00 H new ATOM 185 N ARG A 198 -8.632 -3.604 -7.647 1.00 0.00 N ATOM 186 CA ARG A 198 -9.172 -2.270 -7.886 1.00 0.00 C ATOM 187 C ARG A 198 -9.045 -1.423 -6.623 1.00 0.00 C ATOM 188 O ARG A 198 -10.026 -1.195 -5.915 1.00 0.00 O ATOM 189 CB ARG A 198 -10.639 -2.342 -8.324 1.00 0.00 C ATOM 190 CG ARG A 198 -11.466 -3.339 -7.529 1.00 0.00 C ATOM 191 CD ARG A 198 -12.956 -3.121 -7.741 1.00 0.00 C ATOM 192 NE ARG A 198 -13.303 -3.046 -9.159 1.00 0.00 N ATOM 193 CZ ARG A 198 -14.552 -3.018 -9.616 1.00 0.00 C ATOM 194 NH1 ARG A 198 -15.576 -3.061 -8.774 1.00 0.00 N ATOM 195 NH2 ARG A 198 -14.778 -2.946 -10.921 1.00 0.00 N ATOM 0 H ARG A 198 -8.097 -3.686 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 198 -8.599 -1.807 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -11.087 -1.353 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -10.681 -2.609 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -11.200 -4.353 -7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -11.231 -3.245 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -13.511 -3.935 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -13.262 -2.200 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 198 -12.543 -3.013 -9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -15.408 -3.116 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -16.531 -3.039 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -13.994 -2.912 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -15.735 -2.925 -11.272 1.00 0.00 H new ATOM 209 N PRO A 199 -7.824 -0.955 -6.323 1.00 0.00 N ATOM 210 CA PRO A 199 -7.559 -0.140 -5.134 1.00 0.00 C ATOM 211 C PRO A 199 -8.497 1.058 -5.033 1.00 0.00 C ATOM 212 O PRO A 199 -8.929 1.609 -6.045 1.00 0.00 O ATOM 213 CB PRO A 199 -6.115 0.324 -5.336 1.00 0.00 C ATOM 214 CG PRO A 199 -5.503 -0.721 -6.203 1.00 0.00 C ATOM 215 CD PRO A 199 -6.603 -1.190 -7.115 1.00 0.00 C ATOM 0 HA PRO A 199 -7.714 -0.700 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.076 1.305 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -5.589 0.408 -4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -4.667 -0.316 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.112 -1.545 -5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -6.616 -0.630 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -6.489 -2.242 -7.375 1.00 0.00 H new ATOM 223 N VAL A 200 -8.813 1.456 -3.804 1.00 0.00 N ATOM 224 CA VAL A 200 -9.702 2.588 -3.570 1.00 0.00 C ATOM 225 C VAL A 200 -9.004 3.910 -3.879 1.00 0.00 C ATOM 226 O VAL A 200 -7.820 4.080 -3.591 1.00 0.00 O ATOM 227 CB VAL A 200 -10.211 2.612 -2.115 1.00 0.00 C ATOM 228 CG1 VAL A 200 -9.050 2.756 -1.142 1.00 0.00 C ATOM 229 CG2 VAL A 200 -11.223 3.731 -1.920 1.00 0.00 C ATOM 0 H VAL A 200 -8.466 1.011 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.553 2.466 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 200 -10.709 1.664 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -9.431 2.771 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -8.368 1.915 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -8.519 3.686 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -11.570 3.731 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -10.754 4.689 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -12.070 3.576 -2.588 1.00 0.00 H new ATOM 239 N VAL A 201 -9.749 4.842 -4.464 1.00 0.00 N ATOM 240 CA VAL A 201 -9.204 6.150 -4.809 1.00 0.00 C ATOM 241 C VAL A 201 -9.422 7.149 -3.678 1.00 0.00 C ATOM 242 O VAL A 201 -10.523 7.261 -3.139 1.00 0.00 O ATOM 243 CB VAL A 201 -9.842 6.703 -6.098 1.00 0.00 C ATOM 244 CG1 VAL A 201 -9.114 7.956 -6.560 1.00 0.00 C ATOM 245 CG2 VAL A 201 -9.842 5.644 -7.191 1.00 0.00 C ATOM 0 H VAL A 201 -10.731 4.716 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 201 -8.135 6.015 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 201 -10.877 6.971 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -9.579 8.332 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -9.172 8.718 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -8.069 7.718 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -10.296 6.053 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -8.817 5.342 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -10.413 4.777 -6.858 1.00 0.00 H new ATOM 255 N LYS A 202 -8.366 7.871 -3.322 1.00 0.00 N ATOM 256 CA LYS A 202 -8.440 8.860 -2.252 1.00 0.00 C ATOM 257 C LYS A 202 -9.410 9.982 -2.608 1.00 0.00 C ATOM 258 O LYS A 202 -9.045 10.936 -3.296 1.00 0.00 O ATOM 259 CB LYS A 202 -7.053 9.440 -1.969 1.00 0.00 C ATOM 260 CG LYS A 202 -6.163 8.516 -1.154 1.00 0.00 C ATOM 261 CD LYS A 202 -4.752 9.068 -1.033 1.00 0.00 C ATOM 262 CE LYS A 202 -3.713 7.962 -1.108 1.00 0.00 C ATOM 263 NZ LYS A 202 -3.487 7.322 0.217 1.00 0.00 N ATOM 0 H LYS A 202 -7.448 7.790 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 202 -8.808 8.360 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -6.561 9.663 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -7.165 10.385 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -6.589 8.382 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -6.131 7.532 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -4.574 9.791 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.649 9.602 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.037 7.208 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -2.773 8.371 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -2.772 6.573 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -3.153 8.036 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -4.378 6.909 0.559 1.00 0.00 H new ATOM 277 N SER A 203 -10.646 9.861 -2.132 1.00 0.00 N ATOM 278 CA SER A 203 -11.673 10.866 -2.394 1.00 0.00 C ATOM 279 C SER A 203 -11.796 11.153 -3.890 1.00 0.00 C ATOM 280 O SER A 203 -11.421 12.228 -4.359 1.00 0.00 O ATOM 281 CB SER A 203 -11.358 12.158 -1.638 1.00 0.00 C ATOM 282 OG SER A 203 -10.231 12.812 -2.194 1.00 0.00 O ATOM 0 H SER A 203 -10.961 9.076 -1.562 1.00 0.00 H new ATOM 0 HA SER A 203 -12.626 10.470 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 203 -12.221 12.823 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 203 -11.170 11.932 -0.588 1.00 0.00 H new ATOM 0 HG SER A 203 -10.018 12.414 -3.064 1.00 0.00 H new ATOM 288 N GLY A 204 -12.323 10.186 -4.632 1.00 0.00 N ATOM 289 CA GLY A 204 -12.486 10.354 -6.062 1.00 0.00 C ATOM 290 C GLY A 204 -13.899 10.751 -6.441 1.00 0.00 C ATOM 291 O GLY A 204 -14.666 11.217 -5.599 1.00 0.00 O ATOM 0 H GLY A 204 -12.640 9.288 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -11.790 11.114 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.226 9.423 -6.566 1.00 0.00 H new ATOM 295 N ASP A 205 -14.243 10.565 -7.711 1.00 0.00 N ATOM 296 CA ASP A 205 -15.575 10.907 -8.199 1.00 0.00 C ATOM 297 C ASP A 205 -16.458 9.666 -8.278 1.00 0.00 C ATOM 298 O ASP A 205 -17.315 9.557 -9.155 1.00 0.00 O ATOM 299 CB ASP A 205 -15.481 11.572 -9.574 1.00 0.00 C ATOM 300 CG ASP A 205 -16.799 12.184 -10.010 1.00 0.00 C ATOM 301 OD1 ASP A 205 -17.216 13.192 -9.401 1.00 0.00 O ATOM 302 OD2 ASP A 205 -17.412 11.657 -10.962 1.00 0.00 O ATOM 0 H ASP A 205 -13.619 10.180 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 205 -16.026 11.607 -7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.714 12.346 -9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -15.164 10.834 -10.311 1.00 0.00 H new ATOM 307 N LYS A 206 -16.243 8.734 -7.355 1.00 0.00 N ATOM 308 CA LYS A 206 -17.020 7.500 -7.319 1.00 0.00 C ATOM 309 C LYS A 206 -16.830 6.698 -8.603 1.00 0.00 C ATOM 310 O LYS A 206 -15.790 6.887 -9.269 1.00 0.00 O ATOM 311 CB LYS A 206 -18.503 7.814 -7.113 1.00 0.00 C ATOM 312 CG LYS A 206 -19.206 6.845 -6.175 1.00 0.00 C ATOM 313 CD LYS A 206 -19.794 7.559 -4.966 1.00 0.00 C ATOM 314 CE LYS A 206 -18.940 7.350 -3.726 1.00 0.00 C ATOM 315 NZ LYS A 206 -19.043 5.957 -3.209 1.00 0.00 N ATOM 316 OXT LYS A 206 -17.721 5.887 -8.931 1.00 0.00 O ATOM 0 H LYS A 206 -15.537 8.810 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 206 -16.663 6.899 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -18.600 8.825 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -19.006 7.801 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -20.000 6.328 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -18.500 6.085 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -19.877 8.625 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -20.803 7.191 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -17.899 7.574 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -19.250 8.049 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -18.648 5.913 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -20.042 5.668 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -18.512 5.315 -3.832 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 10.428 21.556 7.625 1.00 0.00 N ATOM 332 CA SER B 7 11.771 21.313 8.211 1.00 0.00 C ATOM 333 C SER B 7 12.240 19.887 7.943 1.00 0.00 C ATOM 334 O SER B 7 13.216 19.669 7.225 1.00 0.00 O ATOM 335 CB SER B 7 11.699 21.571 9.718 1.00 0.00 C ATOM 336 OG SER B 7 11.225 22.878 9.990 1.00 0.00 O ATOM 0 HA SER B 7 12.491 21.987 7.748 1.00 0.00 H new ATOM 0 HB2 SER B 7 11.041 20.838 10.184 1.00 0.00 H new ATOM 0 HB3 SER B 7 12.687 21.440 10.160 1.00 0.00 H new ATOM 0 HG SER B 7 10.639 23.171 9.262 1.00 0.00 H new ATOM 344 N HIS B 8 11.539 18.919 8.523 1.00 0.00 N ATOM 345 CA HIS B 8 11.884 17.513 8.345 1.00 0.00 C ATOM 346 C HIS B 8 10.769 16.608 8.868 1.00 0.00 C ATOM 347 O HIS B 8 10.183 16.876 9.917 1.00 0.00 O ATOM 348 CB HIS B 8 13.199 17.195 9.062 1.00 0.00 C ATOM 349 CG HIS B 8 14.268 16.668 8.154 1.00 0.00 C ATOM 350 ND1 HIS B 8 15.528 16.325 8.596 1.00 0.00 N ATOM 351 CD2 HIS B 8 14.260 16.425 6.821 1.00 0.00 C ATOM 352 CE1 HIS B 8 16.249 15.895 7.576 1.00 0.00 C ATOM 353 NE2 HIS B 8 15.503 15.945 6.489 1.00 0.00 N ATOM 0 H HIS B 8 10.728 19.082 9.120 1.00 0.00 H new ATOM 0 HA HIS B 8 12.007 17.325 7.278 1.00 0.00 H new ATOM 0 HB2 HIS B 8 13.563 18.098 9.552 1.00 0.00 H new ATOM 0 HB3 HIS B 8 13.007 16.463 9.846 1.00 0.00 H new ATOM 0 HD2 HIS B 8 13.431 16.580 6.146 1.00 0.00 H new ATOM 0 HE1 HIS B 8 17.274 15.560 7.624 1.00 0.00 H new ATOM 0 HE2 HIS B 8 15.801 15.671 5.553 1.00 0.00 H new ATOM 362 N PRO B 9 10.460 15.518 8.142 1.00 0.00 N ATOM 363 CA PRO B 9 9.410 14.577 8.540 1.00 0.00 C ATOM 364 C PRO B 9 9.841 13.683 9.697 1.00 0.00 C ATOM 365 O PRO B 9 10.933 13.113 9.682 1.00 0.00 O ATOM 366 CB PRO B 9 9.189 13.746 7.277 1.00 0.00 C ATOM 367 CG PRO B 9 10.502 13.775 6.575 1.00 0.00 C ATOM 368 CD PRO B 9 11.107 15.120 6.875 1.00 0.00 C ATOM 0 HA PRO B 9 8.515 15.088 8.895 1.00 0.00 H new ATOM 0 HB2 PRO B 9 8.892 12.726 7.520 1.00 0.00 H new ATOM 0 HB3 PRO B 9 8.398 14.169 6.657 1.00 0.00 H new ATOM 0 HG2 PRO B 9 11.149 12.970 6.925 1.00 0.00 H new ATOM 0 HG3 PRO B 9 10.373 13.637 5.502 1.00 0.00 H new ATOM 0 HD2 PRO B 9 12.190 15.058 6.980 1.00 0.00 H new ATOM 0 HD3 PRO B 9 10.905 15.837 6.079 1.00 0.00 H new ATOM 376 N GLU B 10 8.976 13.561 10.698 1.00 0.00 N ATOM 377 CA GLU B 10 9.263 12.731 11.864 1.00 0.00 C ATOM 378 C GLU B 10 8.760 11.304 11.659 1.00 0.00 C ATOM 379 O GLU B 10 8.215 10.691 12.576 1.00 0.00 O ATOM 380 CB GLU B 10 8.622 13.337 13.115 1.00 0.00 C ATOM 381 CG GLU B 10 7.128 13.579 12.975 1.00 0.00 C ATOM 382 CD GLU B 10 6.356 13.192 14.221 1.00 0.00 C ATOM 383 OE1 GLU B 10 6.658 12.126 14.798 1.00 0.00 O ATOM 384 OE2 GLU B 10 5.451 13.955 14.619 1.00 0.00 O ATOM 0 H GLU B 10 8.069 14.027 10.726 1.00 0.00 H new ATOM 0 HA GLU B 10 10.344 12.697 11.997 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.796 12.672 13.961 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.115 14.282 13.345 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.953 14.632 12.756 1.00 0.00 H new ATOM 0 HG3 GLU B 10 6.749 13.010 12.126 1.00 0.00 H new ATOM 391 N ASP B 11 8.945 10.781 10.450 1.00 0.00 N ATOM 392 CA ASP B 11 8.509 9.427 10.125 1.00 0.00 C ATOM 393 C ASP B 11 6.990 9.313 10.198 1.00 0.00 C ATOM 394 O ASP B 11 6.329 10.106 10.867 1.00 0.00 O ATOM 395 CB ASP B 11 9.156 8.416 11.075 1.00 0.00 C ATOM 396 CG ASP B 11 9.432 7.086 10.401 1.00 0.00 C ATOM 397 OD1 ASP B 11 9.822 7.091 9.215 1.00 0.00 O ATOM 398 OD2 ASP B 11 9.257 6.040 11.060 1.00 0.00 O ATOM 0 H ASP B 11 9.394 11.275 9.679 1.00 0.00 H new ATOM 0 HA ASP B 11 8.823 9.206 9.105 1.00 0.00 H new ATOM 0 HB2 ASP B 11 10.090 8.827 11.458 1.00 0.00 H new ATOM 0 HB3 ASP B 11 8.502 8.257 11.933 1.00 0.00 H new ATOM 403 N ASP B 12 6.442 8.321 9.503 1.00 0.00 N ATOM 404 CA ASP B 12 4.999 8.103 9.487 1.00 0.00 C ATOM 405 C ASP B 12 4.640 6.901 8.618 1.00 0.00 C ATOM 406 O ASP B 12 4.049 7.047 7.549 1.00 0.00 O ATOM 407 CB ASP B 12 4.275 9.352 8.979 1.00 0.00 C ATOM 408 CG ASP B 12 4.926 9.943 7.742 1.00 0.00 C ATOM 409 OD1 ASP B 12 5.866 9.317 7.206 1.00 0.00 O ATOM 410 OD2 ASP B 12 4.496 11.032 7.308 1.00 0.00 O ATOM 0 H ASP B 12 6.975 7.655 8.943 1.00 0.00 H new ATOM 0 HA ASP B 12 4.677 7.899 10.508 1.00 0.00 H new ATOM 0 HB2 ASP B 12 3.239 9.100 8.754 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.256 10.103 9.769 1.00 0.00 H new ATOM 415 N TRP B 13 5.001 5.711 9.088 1.00 0.00 N ATOM 416 CA TRP B 13 4.719 4.475 8.362 1.00 0.00 C ATOM 417 C TRP B 13 5.608 4.347 7.129 1.00 0.00 C ATOM 418 O TRP B 13 5.273 4.854 6.060 1.00 0.00 O ATOM 419 CB TRP B 13 3.244 4.415 7.950 1.00 0.00 C ATOM 420 CG TRP B 13 2.591 3.099 8.251 1.00 0.00 C ATOM 421 CD1 TRP B 13 1.385 2.904 8.859 1.00 0.00 C ATOM 422 CD2 TRP B 13 3.106 1.795 7.953 1.00 0.00 C ATOM 423 NE1 TRP B 13 1.120 1.559 8.962 1.00 0.00 N ATOM 424 CE2 TRP B 13 2.161 0.858 8.412 1.00 0.00 C ATOM 425 CE3 TRP B 13 4.273 1.327 7.344 1.00 0.00 C ATOM 426 CZ2 TRP B 13 2.350 -0.516 8.279 1.00 0.00 C ATOM 427 CZ3 TRP B 13 4.458 -0.036 7.214 1.00 0.00 C ATOM 428 CH2 TRP B 13 3.501 -0.943 7.679 1.00 0.00 C ATOM 0 H TRP B 13 5.491 5.575 9.972 1.00 0.00 H new ATOM 0 HA TRP B 13 4.934 3.642 9.031 1.00 0.00 H new ATOM 0 HB2 TRP B 13 2.699 5.207 8.463 1.00 0.00 H new ATOM 0 HB3 TRP B 13 3.165 4.614 6.881 1.00 0.00 H new ATOM 0 HD1 TRP B 13 0.734 3.691 9.208 1.00 0.00 H new ATOM 0 HE1 TRP B 13 0.284 1.150 9.380 1.00 0.00 H new ATOM 0 HE3 TRP B 13 5.018 2.019 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 1.613 -1.219 8.638 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 5.357 -0.407 6.745 1.00 0.00 H new ATOM 0 HH2 TRP B 13 3.675 -2.002 7.562 1.00 0.00 H new ATOM 439 N LEU B 14 6.731 3.642 7.294 1.00 0.00 N ATOM 440 CA LEU B 14 7.691 3.395 6.235 1.00 0.00 C ATOM 441 C LEU B 14 7.645 4.457 5.143 1.00 0.00 C ATOM 442 O LEU B 14 7.652 4.142 3.957 1.00 0.00 O ATOM 443 CB LEU B 14 7.443 2.016 5.658 1.00 0.00 C ATOM 444 CG LEU B 14 8.108 0.859 6.409 1.00 0.00 C ATOM 445 CD1 LEU B 14 7.830 0.957 7.902 1.00 0.00 C ATOM 446 CD2 LEU B 14 7.623 -0.477 5.863 1.00 0.00 C ATOM 0 H LEU B 14 6.995 3.223 8.186 1.00 0.00 H new ATOM 0 HA LEU B 14 8.692 3.445 6.664 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.368 1.840 5.633 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.792 2.005 4.626 1.00 0.00 H new ATOM 0 HG LEU B 14 9.185 0.925 6.257 1.00 0.00 H new ATOM 0 HD11 LEU B 14 8.311 0.126 8.417 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.225 1.898 8.285 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.755 0.917 8.075 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.105 -1.289 6.407 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.542 -0.549 5.985 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.874 -0.550 4.805 1.00 0.00 H new ATOM 458 N GLU B 15 7.609 5.710 5.580 1.00 0.00 N ATOM 459 CA GLU B 15 7.570 6.876 4.688 1.00 0.00 C ATOM 460 C GLU B 15 6.139 7.215 4.248 1.00 0.00 C ATOM 461 O GLU B 15 5.735 6.956 3.116 1.00 0.00 O ATOM 462 CB GLU B 15 8.514 6.694 3.483 1.00 0.00 C ATOM 463 CG GLU B 15 7.892 6.064 2.240 1.00 0.00 C ATOM 464 CD GLU B 15 8.871 5.188 1.482 1.00 0.00 C ATOM 465 OE1 GLU B 15 10.084 5.483 1.519 1.00 0.00 O ATOM 466 OE2 GLU B 15 8.422 4.207 0.851 1.00 0.00 O ATOM 0 H GLU B 15 7.606 5.954 6.570 1.00 0.00 H new ATOM 0 HA GLU B 15 7.933 7.731 5.258 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.916 7.670 3.210 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.357 6.078 3.796 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.027 5.468 2.532 1.00 0.00 H new ATOM 0 HG3 GLU B 15 7.528 6.852 1.580 1.00 0.00 H new ATOM 473 N ASN B 16 5.379 7.809 5.164 1.00 0.00 N ATOM 474 CA ASN B 16 3.997 8.205 4.895 1.00 0.00 C ATOM 475 C ASN B 16 3.224 7.105 4.170 1.00 0.00 C ATOM 476 O ASN B 16 2.495 7.372 3.214 1.00 0.00 O ATOM 477 CB ASN B 16 3.963 9.501 4.078 1.00 0.00 C ATOM 478 CG ASN B 16 4.526 9.327 2.681 1.00 0.00 C ATOM 479 OD1 ASN B 16 5.740 9.360 2.479 1.00 0.00 O ATOM 480 ND2 ASN B 16 3.643 9.142 1.705 1.00 0.00 N ATOM 0 H ASN B 16 5.699 8.029 6.107 1.00 0.00 H new ATOM 0 HA ASN B 16 3.511 8.374 5.856 1.00 0.00 H new ATOM 0 HB2 ASN B 16 2.935 9.855 4.009 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.531 10.270 4.601 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.963 9.021 0.744 1.00 0.00 H new ATOM 0 HD22 ASN B 16 2.645 9.121 1.917 1.00 0.00 H new ATOM 487 N ILE B 17 3.382 5.872 4.635 1.00 0.00 N ATOM 488 CA ILE B 17 2.692 4.737 4.035 1.00 0.00 C ATOM 489 C ILE B 17 1.392 4.433 4.771 1.00 0.00 C ATOM 490 O ILE B 17 1.191 4.867 5.905 1.00 0.00 O ATOM 491 CB ILE B 17 3.575 3.487 4.025 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.900 3.780 3.324 1.00 0.00 C ATOM 493 CG2 ILE B 17 2.862 2.317 3.357 1.00 0.00 C ATOM 494 CD1 ILE B 17 4.736 4.339 1.926 1.00 0.00 C ATOM 0 H ILE B 17 3.981 5.633 5.425 1.00 0.00 H new ATOM 0 HA ILE B 17 2.463 5.012 3.006 1.00 0.00 H new ATOM 0 HB ILE B 17 3.781 3.207 5.058 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.470 4.488 3.925 1.00 0.00 H new ATOM 0 HG13 ILE B 17 5.485 2.862 3.273 1.00 0.00 H new ATOM 0 HG21 ILE B 17 3.513 1.442 3.364 1.00 0.00 H new ATOM 0 HG22 ILE B 17 1.945 2.091 3.901 1.00 0.00 H new ATOM 0 HG23 ILE B 17 2.618 2.579 2.328 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.718 4.523 1.490 1.00 0.00 H new ATOM 0 HD12 ILE B 17 4.193 3.623 1.309 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.178 5.275 1.971 1.00 0.00 H new ATOM 506 N ASP B 18 0.513 3.685 4.119 1.00 0.00 N ATOM 507 CA ASP B 18 -0.769 3.318 4.707 1.00 0.00 C ATOM 508 C ASP B 18 -1.030 1.826 4.544 1.00 0.00 C ATOM 509 O ASP B 18 -0.582 1.210 3.577 1.00 0.00 O ATOM 510 CB ASP B 18 -1.900 4.116 4.055 1.00 0.00 C ATOM 511 CG ASP B 18 -2.218 5.391 4.811 1.00 0.00 C ATOM 512 OD1 ASP B 18 -1.268 6.108 5.193 1.00 0.00 O ATOM 513 OD2 ASP B 18 -3.416 5.674 5.022 1.00 0.00 O ATOM 0 H ASP B 18 0.665 3.319 3.179 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.734 3.552 5.771 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -1.622 4.364 3.031 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.795 3.496 4.002 1.00 0.00 H new ATOM 518 N VAL B 19 -1.757 1.248 5.493 1.00 0.00 N ATOM 519 CA VAL B 19 -2.074 -0.173 5.446 1.00 0.00 C ATOM 520 C VAL B 19 -3.490 -0.403 4.933 1.00 0.00 C ATOM 521 O VAL B 19 -4.468 -0.137 5.631 1.00 0.00 O ATOM 522 CB VAL B 19 -1.922 -0.836 6.827 1.00 0.00 C ATOM 523 CG1 VAL B 19 -2.064 -2.344 6.710 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.584 -0.469 7.450 1.00 0.00 C ATOM 0 H VAL B 19 -2.137 1.740 6.302 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.363 -0.630 4.758 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.715 -0.466 7.478 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.954 -2.797 7.695 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -3.047 -2.587 6.307 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.293 -2.731 6.044 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.494 -0.946 8.426 1.00 0.00 H new ATOM 0 HG22 VAL B 19 0.224 -0.810 6.803 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.522 0.613 7.568 1.00 0.00 H new ATOM 534 N CYS B 20 -3.588 -0.900 3.705 1.00 0.00 N ATOM 535 CA CYS B 20 -4.877 -1.175 3.081 1.00 0.00 C ATOM 536 C CYS B 20 -5.748 -2.048 3.981 1.00 0.00 C ATOM 537 O CYS B 20 -5.640 -3.275 3.968 1.00 0.00 O ATOM 538 CB CYS B 20 -4.659 -1.851 1.731 1.00 0.00 C ATOM 539 SG CYS B 20 -6.176 -2.085 0.742 1.00 0.00 S ATOM 0 H CYS B 20 -2.784 -1.122 3.118 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.399 -0.230 2.930 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -3.952 -1.257 1.152 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.196 -2.824 1.897 1.00 0.00 H new ATOM 544 N GLU B 21 -6.606 -1.403 4.765 1.00 0.00 N ATOM 545 CA GLU B 21 -7.495 -2.109 5.683 1.00 0.00 C ATOM 546 C GLU B 21 -8.344 -3.146 4.951 1.00 0.00 C ATOM 547 O GLU B 21 -8.831 -4.099 5.559 1.00 0.00 O ATOM 548 CB GLU B 21 -8.403 -1.115 6.408 1.00 0.00 C ATOM 549 CG GLU B 21 -9.346 -0.365 5.482 1.00 0.00 C ATOM 550 CD GLU B 21 -10.483 0.305 6.229 1.00 0.00 C ATOM 551 OE1 GLU B 21 -10.322 0.576 7.437 1.00 0.00 O ATOM 552 OE2 GLU B 21 -11.535 0.560 5.605 1.00 0.00 O ATOM 0 H GLU B 21 -6.705 -0.388 4.783 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.874 -2.631 6.411 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.990 -1.650 7.155 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.785 -0.395 6.944 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.785 0.389 4.930 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.757 -1.058 4.748 1.00 0.00 H new ATOM 559 N ASN B 22 -8.520 -2.958 3.646 1.00 0.00 N ATOM 560 CA ASN B 22 -9.312 -3.883 2.843 1.00 0.00 C ATOM 561 C ASN B 22 -8.796 -5.310 2.992 1.00 0.00 C ATOM 562 O ASN B 22 -9.575 -6.263 3.034 1.00 0.00 O ATOM 563 CB ASN B 22 -9.284 -3.468 1.371 1.00 0.00 C ATOM 564 CG ASN B 22 -10.371 -4.146 0.560 1.00 0.00 C ATOM 565 OD1 ASN B 22 -10.478 -5.373 0.547 1.00 0.00 O ATOM 566 ND2 ASN B 22 -11.183 -3.349 -0.124 1.00 0.00 N ATOM 0 H ASN B 22 -8.126 -2.176 3.124 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.341 -3.848 3.202 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -9.401 -2.387 1.299 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.311 -3.712 0.946 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -11.932 -3.748 -0.689 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -11.058 -2.338 -0.084 1.00 0.00 H new ATOM 573 N CYS B 23 -7.477 -5.451 3.071 1.00 0.00 N ATOM 574 CA CYS B 23 -6.855 -6.764 3.214 1.00 0.00 C ATOM 575 C CYS B 23 -5.846 -6.791 4.366 1.00 0.00 C ATOM 576 O CYS B 23 -5.259 -7.833 4.657 1.00 0.00 O ATOM 577 CB CYS B 23 -6.171 -7.176 1.910 1.00 0.00 C ATOM 578 SG CYS B 23 -5.346 -5.811 1.026 1.00 0.00 S ATOM 0 H CYS B 23 -6.818 -4.673 3.039 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.647 -7.477 3.445 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.434 -7.948 2.129 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -6.914 -7.623 1.250 1.00 0.00 H new ATOM 583 N HIS B 24 -5.646 -5.644 5.020 1.00 0.00 N ATOM 584 CA HIS B 24 -4.708 -5.541 6.141 1.00 0.00 C ATOM 585 C HIS B 24 -3.256 -5.482 5.666 1.00 0.00 C ATOM 586 O HIS B 24 -2.338 -5.329 6.473 1.00 0.00 O ATOM 587 CB HIS B 24 -4.895 -6.700 7.112 1.00 0.00 C ATOM 588 CG HIS B 24 -5.181 -6.265 8.516 1.00 0.00 C ATOM 589 ND1 HIS B 24 -4.772 -6.979 9.623 1.00 0.00 N ATOM 590 CD2 HIS B 24 -5.839 -5.181 8.992 1.00 0.00 C ATOM 591 CE1 HIS B 24 -5.166 -6.353 10.718 1.00 0.00 C ATOM 592 NE2 HIS B 24 -5.815 -5.260 10.362 1.00 0.00 N ATOM 0 H HIS B 24 -6.122 -4.771 4.792 1.00 0.00 H new ATOM 0 HA HIS B 24 -4.928 -4.607 6.658 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -5.714 -7.329 6.761 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -3.996 -7.316 7.107 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -6.297 -4.400 8.403 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -4.987 -6.680 11.732 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -6.231 -4.583 11.002 1.00 0.00 H new ATOM 601 N TYR B 25 -3.052 -5.597 4.358 1.00 0.00 N ATOM 602 CA TYR B 25 -1.727 -5.550 3.777 1.00 0.00 C ATOM 603 C TYR B 25 -1.269 -4.109 3.591 1.00 0.00 C ATOM 604 O TYR B 25 -2.088 -3.210 3.400 1.00 0.00 O ATOM 605 CB TYR B 25 -1.751 -6.261 2.440 1.00 0.00 C ATOM 606 CG TYR B 25 -1.948 -7.756 2.552 1.00 0.00 C ATOM 607 CD1 TYR B 25 -1.243 -8.501 3.488 1.00 0.00 C ATOM 608 CD2 TYR B 25 -2.843 -8.422 1.723 1.00 0.00 C ATOM 609 CE1 TYR B 25 -1.423 -9.866 3.596 1.00 0.00 C ATOM 610 CE2 TYR B 25 -3.027 -9.788 1.824 1.00 0.00 C ATOM 611 CZ TYR B 25 -2.316 -10.505 2.762 1.00 0.00 C ATOM 612 OH TYR B 25 -2.498 -11.864 2.867 1.00 0.00 O ATOM 0 H TYR B 25 -3.801 -5.725 3.678 1.00 0.00 H new ATOM 0 HA TYR B 25 -1.025 -6.044 4.449 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.551 -5.842 1.830 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.815 -6.065 1.917 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -0.542 -8.005 4.143 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.404 -7.863 0.988 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -0.867 -10.430 4.330 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -3.725 -10.291 1.171 1.00 0.00 H new ATOM 0 HH TYR B 25 -3.162 -12.157 2.208 1.00 0.00 H new ATOM 622 N PRO B 26 0.049 -3.868 3.644 1.00 0.00 N ATOM 623 CA PRO B 26 0.607 -2.527 3.482 1.00 0.00 C ATOM 624 C PRO B 26 0.709 -2.109 2.018 1.00 0.00 C ATOM 625 O PRO B 26 1.633 -2.514 1.312 1.00 0.00 O ATOM 626 CB PRO B 26 1.998 -2.664 4.095 1.00 0.00 C ATOM 627 CG PRO B 26 2.379 -4.083 3.841 1.00 0.00 C ATOM 628 CD PRO B 26 1.099 -4.879 3.870 1.00 0.00 C ATOM 0 HA PRO B 26 -0.015 -1.762 3.948 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.705 -1.974 3.634 1.00 0.00 H new ATOM 0 HB3 PRO B 26 1.985 -2.441 5.162 1.00 0.00 H new ATOM 0 HG2 PRO B 26 2.878 -4.185 2.877 1.00 0.00 H new ATOM 0 HG3 PRO B 26 3.076 -4.440 4.600 1.00 0.00 H new ATOM 0 HD2 PRO B 26 1.088 -5.647 3.096 1.00 0.00 H new ATOM 0 HD3 PRO B 26 0.966 -5.387 4.825 1.00 0.00 H new ATOM 636 N ILE B 27 -0.236 -1.286 1.568 1.00 0.00 N ATOM 637 CA ILE B 27 -0.228 -0.809 0.191 1.00 0.00 C ATOM 638 C ILE B 27 0.969 0.109 -0.045 1.00 0.00 C ATOM 639 O ILE B 27 0.948 1.287 0.313 1.00 0.00 O ATOM 640 CB ILE B 27 -1.557 -0.091 -0.176 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.536 -1.089 -0.795 1.00 0.00 C ATOM 642 CG2 ILE B 27 -1.323 1.079 -1.129 1.00 0.00 C ATOM 643 CD1 ILE B 27 -3.862 -0.473 -1.189 1.00 0.00 C ATOM 0 H ILE B 27 -1.011 -0.939 2.134 1.00 0.00 H new ATOM 0 HA ILE B 27 -0.138 -1.677 -0.463 1.00 0.00 H new ATOM 0 HB ILE B 27 -1.983 0.313 0.742 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -2.077 -1.537 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.717 -1.896 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -2.276 1.555 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.660 1.805 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -0.866 0.713 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.505 -1.240 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.343 -0.050 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.693 0.315 -1.923 1.00 0.00 H new ATOM 655 N VAL B 28 2.017 -0.453 -0.637 1.00 0.00 N ATOM 656 CA VAL B 28 3.235 0.288 -0.917 1.00 0.00 C ATOM 657 C VAL B 28 3.315 0.540 -2.417 1.00 0.00 C ATOM 658 O VAL B 28 2.709 -0.168 -3.222 1.00 0.00 O ATOM 659 CB VAL B 28 4.501 -0.469 -0.511 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.522 0.445 0.151 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.197 -1.696 0.339 1.00 0.00 C ATOM 0 H VAL B 28 2.044 -1.429 -0.933 1.00 0.00 H new ATOM 0 HA VAL B 28 3.189 1.210 -0.338 1.00 0.00 H new ATOM 0 HB VAL B 28 4.952 -0.836 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.405 -0.133 0.423 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.806 1.236 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.087 0.887 1.047 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.129 -2.198 0.600 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.682 -1.389 1.250 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.562 -2.380 -0.224 1.00 0.00 H new ATOM 671 N PRO B 29 4.071 1.553 -2.789 1.00 0.00 N ATOM 672 CA PRO B 29 4.282 1.956 -4.162 1.00 0.00 C ATOM 673 C PRO B 29 5.507 1.293 -4.784 1.00 0.00 C ATOM 674 O PRO B 29 6.628 1.779 -4.640 1.00 0.00 O ATOM 675 CB PRO B 29 4.496 3.462 -4.019 1.00 0.00 C ATOM 676 CG PRO B 29 5.072 3.651 -2.643 1.00 0.00 C ATOM 677 CD PRO B 29 4.806 2.380 -1.865 1.00 0.00 C ATOM 0 HA PRO B 29 3.458 1.675 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO B 29 5.175 3.837 -4.785 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.558 4.005 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO B 29 6.142 3.851 -2.699 1.00 0.00 H new ATOM 0 HG3 PRO B 29 4.613 4.507 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO B 29 5.734 1.902 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.230 2.578 -0.961 1.00 0.00 H new ATOM 685 N LEU B 30 5.287 0.174 -5.471 1.00 0.00 N ATOM 686 CA LEU B 30 6.364 -0.560 -6.107 1.00 0.00 C ATOM 687 C LEU B 30 7.236 0.361 -6.958 1.00 0.00 C ATOM 688 O LEU B 30 6.824 1.465 -7.316 1.00 0.00 O ATOM 689 CB LEU B 30 5.798 -1.692 -6.969 1.00 0.00 C ATOM 690 CG LEU B 30 5.881 -3.085 -6.343 1.00 0.00 C ATOM 691 CD1 LEU B 30 4.571 -3.442 -5.659 1.00 0.00 C ATOM 692 CD2 LEU B 30 6.234 -4.123 -7.397 1.00 0.00 C ATOM 0 H LEU B 30 4.364 -0.241 -5.598 1.00 0.00 H new ATOM 0 HA LEU B 30 6.988 -0.986 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU B 30 4.754 -1.472 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU B 30 6.330 -1.705 -7.920 1.00 0.00 H new ATOM 0 HG LEU B 30 6.670 -3.077 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU B 30 4.649 -4.436 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU B 30 4.360 -2.715 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU B 30 3.764 -3.431 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU B 30 6.289 -5.108 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU B 30 5.468 -4.129 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.198 -3.877 -7.841 1.00 0.00 H new ATOM 704 N ASP B 31 8.439 -0.099 -7.278 1.00 0.00 N ATOM 705 CA ASP B 31 9.367 0.685 -8.086 1.00 0.00 C ATOM 706 C ASP B 31 9.956 -0.158 -9.214 1.00 0.00 C ATOM 707 O ASP B 31 9.668 -1.349 -9.327 1.00 0.00 O ATOM 708 CB ASP B 31 10.491 1.243 -7.211 1.00 0.00 C ATOM 709 CG ASP B 31 9.965 1.956 -5.981 1.00 0.00 C ATOM 710 OD1 ASP B 31 9.199 2.929 -6.140 1.00 0.00 O ATOM 711 OD2 ASP B 31 10.320 1.541 -4.857 1.00 0.00 O ATOM 0 H ASP B 31 8.796 -1.010 -6.991 1.00 0.00 H new ATOM 0 HA ASP B 31 8.813 1.513 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP B 31 11.147 0.429 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP B 31 11.096 1.934 -7.798 1.00 0.00 H new ATOM 716 N GLY B 32 10.781 0.469 -10.044 1.00 0.00 N ATOM 717 CA GLY B 32 11.399 -0.236 -11.152 1.00 0.00 C ATOM 718 C GLY B 32 11.583 0.648 -12.370 1.00 0.00 C ATOM 719 O GLY B 32 10.608 1.101 -12.970 1.00 0.00 O ATOM 0 H GLY B 32 11.034 1.454 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY B 32 12.368 -0.623 -10.837 1.00 0.00 H new ATOM 0 HA3 GLY B 32 10.785 -1.096 -11.420 1.00 0.00 H new ATOM 723 N LYS B 33 12.837 0.893 -12.736 1.00 0.00 N ATOM 724 CA LYS B 33 13.146 1.729 -13.890 1.00 0.00 C ATOM 725 C LYS B 33 13.257 0.886 -15.157 1.00 0.00 C ATOM 726 O LYS B 33 14.357 0.582 -15.620 1.00 0.00 O ATOM 727 CB LYS B 33 14.450 2.495 -13.656 1.00 0.00 C ATOM 728 CG LYS B 33 14.435 3.906 -14.224 1.00 0.00 C ATOM 729 CD LYS B 33 15.715 4.217 -14.985 1.00 0.00 C ATOM 730 CE LYS B 33 15.483 4.218 -16.488 1.00 0.00 C ATOM 731 NZ LYS B 33 14.595 5.334 -16.911 1.00 0.00 N ATOM 0 H LYS B 33 13.655 0.525 -12.250 1.00 0.00 H new ATOM 0 HA LYS B 33 12.332 2.443 -14.020 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.645 2.545 -12.585 1.00 0.00 H new ATOM 0 HB3 LYS B 33 15.274 1.940 -14.105 1.00 0.00 H new ATOM 0 HG2 LYS B 33 13.579 4.022 -14.888 1.00 0.00 H new ATOM 0 HG3 LYS B 33 14.309 4.624 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS B 33 16.097 5.189 -14.674 1.00 0.00 H new ATOM 0 HD3 LYS B 33 16.477 3.479 -14.734 1.00 0.00 H new ATOM 0 HE2 LYS B 33 16.440 4.300 -17.003 1.00 0.00 H new ATOM 0 HE3 LYS B 33 15.040 3.268 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 14.786 5.571 -17.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 13.601 5.045 -16.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 14.776 6.167 -16.315 1.00 0.00 H new ATOM 745 N GLY B 34 12.110 0.512 -15.714 1.00 0.00 N ATOM 746 CA GLY B 34 12.100 -0.292 -16.922 1.00 0.00 C ATOM 747 C GLY B 34 12.262 0.544 -18.176 1.00 0.00 C ATOM 748 O GLY B 34 12.050 1.757 -18.153 1.00 0.00 O ATOM 0 H GLY B 34 11.187 0.751 -15.351 1.00 0.00 H new ATOM 0 HA2 GLY B 34 12.904 -1.027 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY B 34 11.164 -0.847 -16.978 1.00 0.00 H new ATOM 752 N THR B 35 12.637 -0.105 -19.273 1.00 0.00 N ATOM 753 CA THR B 35 12.827 0.587 -20.543 1.00 0.00 C ATOM 754 C THR B 35 12.746 -0.391 -21.711 1.00 0.00 C ATOM 755 O THR B 35 13.780 -1.016 -22.030 1.00 0.00 O ATOM 756 CB THR B 35 14.175 1.309 -20.558 1.00 0.00 C ATOM 757 OG1 THR B 35 15.114 0.638 -19.737 1.00 0.00 O ATOM 758 CG2 THR B 35 14.091 2.742 -20.081 1.00 0.00 C ATOM 759 OXT THR B 35 11.651 -0.522 -22.296 1.00 0.00 O ATOM 0 H THR B 35 12.815 -1.109 -19.309 1.00 0.00 H new ATOM 0 HA THR B 35 12.029 1.322 -20.652 1.00 0.00 H new ATOM 0 HB THR B 35 14.491 1.307 -21.601 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.970 1.115 -19.762 1.00 0.00 H new ATOM 0 HG21 THR B 35 15.081 3.196 -20.117 1.00 0.00 H new ATOM 0 HG22 THR B 35 13.412 3.301 -20.725 1.00 0.00 H new ATOM 0 HG23 THR B 35 13.719 2.763 -19.057 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.730 -4.046 -0.481 1.00 0.00 ZN