USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=5 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= -0.0264 K(o=-0.026,f=-0.86) USER MOD Single : A 195 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.127) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 HIS : no HD1:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= 0.225 K(o=0.23,f=-4.5!) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 188 13.307 -16.261 -3.577 1.00 0.00 N ATOM 2 CA ARG A 188 12.708 -14.970 -4.008 1.00 0.00 C ATOM 3 C ARG A 188 11.183 -15.039 -3.997 1.00 0.00 C ATOM 4 O ARG A 188 10.538 -14.931 -5.040 1.00 0.00 O ATOM 5 CB ARG A 188 13.215 -14.643 -5.414 1.00 0.00 C ATOM 6 CG ARG A 188 14.546 -13.911 -5.424 1.00 0.00 C ATOM 7 CD ARG A 188 14.816 -13.259 -6.771 1.00 0.00 C ATOM 8 NE ARG A 188 15.921 -12.306 -6.706 1.00 0.00 N ATOM 9 CZ ARG A 188 16.532 -11.802 -7.777 1.00 0.00 C ATOM 10 NH1 ARG A 188 16.147 -12.158 -8.997 1.00 0.00 N ATOM 11 NH2 ARG A 188 17.529 -10.942 -7.627 1.00 0.00 N ATOM 0 HA ARG A 188 13.005 -14.186 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 188 13.315 -15.569 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 188 12.471 -14.034 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 188 14.549 -13.150 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 188 15.348 -14.611 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 188 15.045 -14.029 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 188 13.916 -12.748 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 188 16.244 -12.009 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 188 15.380 -12.820 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 188 16.618 -11.769 -9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 188 17.828 -10.666 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 188 17.997 -10.556 -8.447 1.00 0.00 H new ATOM 27 N ASN A 189 10.614 -15.219 -2.809 1.00 0.00 N ATOM 28 CA ASN A 189 9.166 -15.301 -2.661 1.00 0.00 C ATOM 29 C ASN A 189 8.554 -13.912 -2.516 1.00 0.00 C ATOM 30 O ASN A 189 9.146 -13.023 -1.903 1.00 0.00 O ATOM 31 CB ASN A 189 8.805 -16.159 -1.446 1.00 0.00 C ATOM 32 CG ASN A 189 9.397 -15.618 -0.160 1.00 0.00 C ATOM 33 OD1 ASN A 189 10.567 -15.853 0.145 1.00 0.00 O ATOM 34 ND2 ASN A 189 8.591 -14.889 0.603 1.00 0.00 N ATOM 0 H ASN A 189 11.133 -15.311 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 189 8.760 -15.765 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 189 7.720 -16.210 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 189 9.159 -17.177 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 189 8.935 -14.499 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 189 7.628 -14.719 0.312 1.00 0.00 H new ATOM 41 N ARG A 190 7.368 -13.731 -3.086 1.00 0.00 N ATOM 42 CA ARG A 190 6.677 -12.447 -3.022 1.00 0.00 C ATOM 43 C ARG A 190 6.338 -12.083 -1.580 1.00 0.00 C ATOM 44 O ARG A 190 6.358 -12.935 -0.692 1.00 0.00 O ATOM 45 CB ARG A 190 5.401 -12.488 -3.865 1.00 0.00 C ATOM 46 CG ARG A 190 4.886 -11.113 -4.261 1.00 0.00 C ATOM 47 CD ARG A 190 5.966 -10.284 -4.941 1.00 0.00 C ATOM 48 NE ARG A 190 6.713 -11.060 -5.928 1.00 0.00 N ATOM 49 CZ ARG A 190 7.904 -10.705 -6.404 1.00 0.00 C ATOM 50 NH1 ARG A 190 8.486 -9.586 -5.988 1.00 0.00 N ATOM 51 NH2 ARG A 190 8.516 -11.469 -7.298 1.00 0.00 N ATOM 0 H ARG A 190 6.865 -14.456 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 190 7.343 -11.683 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 190 5.591 -13.069 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 190 4.624 -13.011 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 190 4.034 -11.222 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 190 4.528 -10.589 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 190 5.509 -9.423 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 190 6.653 -9.897 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 190 6.297 -11.925 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 190 8.020 -8.994 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 190 9.399 -9.319 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 190 8.074 -12.329 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 190 9.429 -11.196 -7.662 1.00 0.00 H new ATOM 65 N ARG A 191 6.029 -10.810 -1.356 1.00 0.00 N ATOM 66 CA ARG A 191 5.686 -10.330 -0.026 1.00 0.00 C ATOM 67 C ARG A 191 4.175 -10.289 0.167 1.00 0.00 C ATOM 68 O ARG A 191 3.451 -9.729 -0.656 1.00 0.00 O ATOM 69 CB ARG A 191 6.275 -8.949 0.225 1.00 0.00 C ATOM 70 CG ARG A 191 7.587 -8.679 -0.499 1.00 0.00 C ATOM 71 CD ARG A 191 7.754 -7.201 -0.817 1.00 0.00 C ATOM 72 NE ARG A 191 9.147 -6.856 -1.093 1.00 0.00 N ATOM 73 CZ ARG A 191 9.523 -5.779 -1.779 1.00 0.00 C ATOM 74 NH1 ARG A 191 8.617 -4.937 -2.261 1.00 0.00 N ATOM 75 NH2 ARG A 191 10.812 -5.541 -1.984 1.00 0.00 N ATOM 0 H ARG A 191 6.010 -10.093 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 191 6.113 -11.029 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 191 5.546 -8.197 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 191 6.434 -8.825 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 191 8.420 -9.016 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 191 7.620 -9.257 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 191 7.139 -6.944 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 191 7.392 -6.606 0.022 1.00 0.00 H new ATOM 0 HE ARG A 191 9.874 -7.477 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 191 7.624 -5.113 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 191 8.914 -4.114 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 191 11.514 -6.183 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 191 11.101 -4.716 -2.510 1.00 0.00 H new ATOM 89 N ARG A 192 3.705 -10.886 1.258 1.00 0.00 N ATOM 90 CA ARG A 192 2.278 -10.916 1.560 1.00 0.00 C ATOM 91 C ARG A 192 1.737 -9.506 1.767 1.00 0.00 C ATOM 92 O ARG A 192 1.579 -9.051 2.901 1.00 0.00 O ATOM 93 CB ARG A 192 2.020 -11.760 2.803 1.00 0.00 C ATOM 94 CG ARG A 192 0.665 -12.451 2.802 1.00 0.00 C ATOM 95 CD ARG A 192 0.759 -13.865 3.350 1.00 0.00 C ATOM 96 NE ARG A 192 1.647 -14.705 2.549 1.00 0.00 N ATOM 97 CZ ARG A 192 1.321 -15.205 1.360 1.00 0.00 C ATOM 98 NH1 ARG A 192 0.128 -14.957 0.833 1.00 0.00 N ATOM 99 NH2 ARG A 192 2.189 -15.956 0.696 1.00 0.00 N ATOM 0 H ARG A 192 4.292 -11.356 1.948 1.00 0.00 H new ATOM 0 HA ARG A 192 1.760 -11.363 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 192 2.802 -12.514 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 192 2.093 -11.124 3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -0.039 -11.874 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.271 -12.479 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 192 1.121 -13.832 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -0.235 -14.311 3.376 1.00 0.00 H new ATOM 0 HE ARG A 192 2.571 -14.921 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -0.544 -14.381 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -0.117 -15.343 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 192 3.107 -16.150 1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 192 1.939 -16.339 -0.216 1.00 0.00 H new ATOM 113 N VAL A 193 1.462 -8.816 0.665 1.00 0.00 N ATOM 114 CA VAL A 193 0.945 -7.454 0.723 1.00 0.00 C ATOM 115 C VAL A 193 -0.392 -7.337 -0.008 1.00 0.00 C ATOM 116 O VAL A 193 -0.989 -8.335 -0.410 1.00 0.00 O ATOM 117 CB VAL A 193 1.948 -6.444 0.125 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.270 -6.497 0.876 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.161 -6.706 -1.358 1.00 0.00 C ATOM 0 H VAL A 193 1.589 -9.178 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 193 0.794 -7.217 1.776 1.00 0.00 H new ATOM 0 HB VAL A 193 1.530 -5.443 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 193 3.965 -5.779 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.103 -6.251 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.691 -7.500 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 193 2.871 -5.982 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.553 -7.714 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.211 -6.611 -1.884 1.00 0.00 H new ATOM 129 N CYS A 194 -0.869 -6.103 -0.135 1.00 0.00 N ATOM 130 CA CYS A 194 -2.150 -5.818 -0.769 1.00 0.00 C ATOM 131 C CYS A 194 -2.339 -6.554 -2.090 1.00 0.00 C ATOM 132 O CYS A 194 -1.514 -6.459 -3.000 1.00 0.00 O ATOM 133 CB CYS A 194 -2.294 -4.314 -0.992 1.00 0.00 C ATOM 134 SG CYS A 194 -3.799 -3.837 -1.902 1.00 0.00 S ATOM 0 H CYS A 194 -0.378 -5.273 0.199 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.925 -6.177 -0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.293 -3.812 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.422 -3.954 -1.538 1.00 0.00 H new ATOM 139 N LYS A 195 -3.471 -7.241 -2.198 1.00 0.00 N ATOM 140 CA LYS A 195 -3.838 -7.944 -3.408 1.00 0.00 C ATOM 141 C LYS A 195 -5.279 -7.603 -3.745 1.00 0.00 C ATOM 142 O LYS A 195 -6.177 -8.439 -3.645 1.00 0.00 O ATOM 143 CB LYS A 195 -3.676 -9.449 -3.244 1.00 0.00 C ATOM 144 CG LYS A 195 -2.578 -9.853 -2.273 1.00 0.00 C ATOM 145 CD LYS A 195 -2.456 -11.365 -2.168 1.00 0.00 C ATOM 146 CE LYS A 195 -1.340 -11.898 -3.050 1.00 0.00 C ATOM 147 NZ LYS A 195 -1.819 -12.217 -4.424 1.00 0.00 N ATOM 0 H LYS A 195 -4.155 -7.322 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.178 -7.632 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -4.621 -9.870 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -3.465 -9.889 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.628 -9.432 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -2.789 -9.435 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -2.266 -11.644 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -3.400 -11.828 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -0.539 -11.160 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -0.916 -12.794 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 -1.661 -13.226 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 -2.835 -12.005 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -1.296 -11.643 -5.116 1.00 0.00 H new ATOM 161 N CYS A 196 -5.482 -6.360 -4.139 1.00 0.00 N ATOM 162 CA CYS A 196 -6.809 -5.867 -4.495 1.00 0.00 C ATOM 163 C CYS A 196 -6.911 -5.617 -6.000 1.00 0.00 C ATOM 164 O CYS A 196 -6.015 -5.021 -6.597 1.00 0.00 O ATOM 165 CB CYS A 196 -7.126 -4.574 -3.736 1.00 0.00 C ATOM 166 SG CYS A 196 -7.422 -4.801 -1.950 1.00 0.00 S ATOM 0 H CYS A 196 -4.741 -5.664 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.534 -6.631 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.299 -3.877 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -8.007 -4.112 -4.182 1.00 0.00 H new ATOM 171 N PRO A 197 -8.011 -6.065 -6.636 1.00 0.00 N ATOM 172 CA PRO A 197 -8.224 -5.880 -8.068 1.00 0.00 C ATOM 173 C PRO A 197 -8.887 -4.544 -8.388 1.00 0.00 C ATOM 174 O PRO A 197 -9.571 -4.401 -9.401 1.00 0.00 O ATOM 175 CB PRO A 197 -9.155 -7.037 -8.410 1.00 0.00 C ATOM 176 CG PRO A 197 -9.983 -7.227 -7.182 1.00 0.00 C ATOM 177 CD PRO A 197 -9.136 -6.786 -6.009 1.00 0.00 C ATOM 0 HA PRO A 197 -7.293 -5.870 -8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -9.776 -6.804 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.594 -7.939 -8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -10.899 -6.639 -7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.280 -8.270 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.696 -6.141 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.789 -7.638 -5.424 1.00 0.00 H new ATOM 185 N ARG A 198 -8.673 -3.569 -7.510 1.00 0.00 N ATOM 186 CA ARG A 198 -9.234 -2.231 -7.669 1.00 0.00 C ATOM 187 C ARG A 198 -9.075 -1.445 -6.372 1.00 0.00 C ATOM 188 O ARG A 198 -10.040 -1.237 -5.636 1.00 0.00 O ATOM 189 CB ARG A 198 -10.713 -2.301 -8.061 1.00 0.00 C ATOM 190 CG ARG A 198 -11.508 -3.323 -7.264 1.00 0.00 C ATOM 191 CD ARG A 198 -12.897 -2.809 -6.924 1.00 0.00 C ATOM 192 NE ARG A 198 -13.890 -3.215 -7.914 1.00 0.00 N ATOM 193 CZ ARG A 198 -14.382 -4.449 -8.009 1.00 0.00 C ATOM 194 NH1 ARG A 198 -13.976 -5.398 -7.176 1.00 0.00 N ATOM 195 NH2 ARG A 198 -15.281 -4.733 -8.941 1.00 0.00 N ATOM 0 H ARG A 198 -8.107 -3.684 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 198 -8.693 -1.724 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -11.163 -1.317 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -10.788 -2.542 -9.121 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -11.591 -4.247 -7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -10.974 -3.564 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -13.191 -3.181 -5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -12.875 -1.721 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 198 -14.227 -2.512 -8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -13.284 -5.184 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -14.356 -6.341 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -15.595 -4.007 -9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -15.658 -5.678 -9.015 1.00 0.00 H new ATOM 209 N PRO A 199 -7.843 -1.005 -6.072 1.00 0.00 N ATOM 210 CA PRO A 199 -7.548 -0.247 -4.852 1.00 0.00 C ATOM 211 C PRO A 199 -8.440 0.981 -4.703 1.00 0.00 C ATOM 212 O PRO A 199 -8.904 1.547 -5.693 1.00 0.00 O ATOM 213 CB PRO A 199 -6.086 0.170 -5.033 1.00 0.00 C ATOM 214 CG PRO A 199 -5.518 -0.840 -5.968 1.00 0.00 C ATOM 215 CD PRO A 199 -6.639 -1.217 -6.895 1.00 0.00 C ATOM 0 HA PRO A 199 -7.726 -0.838 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.009 1.177 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -5.554 0.172 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -4.674 -0.429 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.149 -1.711 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -6.648 -0.594 -7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -6.556 -2.252 -7.228 1.00 0.00 H new ATOM 223 N VAL A 200 -8.676 1.389 -3.460 1.00 0.00 N ATOM 224 CA VAL A 200 -9.512 2.551 -3.182 1.00 0.00 C ATOM 225 C VAL A 200 -8.731 3.847 -3.374 1.00 0.00 C ATOM 226 O VAL A 200 -7.616 3.993 -2.872 1.00 0.00 O ATOM 227 CB VAL A 200 -10.079 2.506 -1.748 1.00 0.00 C ATOM 228 CG1 VAL A 200 -8.955 2.538 -0.722 1.00 0.00 C ATOM 229 CG2 VAL A 200 -11.049 3.656 -1.522 1.00 0.00 C ATOM 0 H VAL A 200 -8.300 0.932 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.341 2.524 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 200 -10.623 1.570 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -9.378 2.505 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -8.303 1.677 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -8.378 3.455 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -11.439 3.608 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -10.530 4.604 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -11.874 3.581 -2.231 1.00 0.00 H new ATOM 239 N VAL A 201 -9.325 4.787 -4.102 1.00 0.00 N ATOM 240 CA VAL A 201 -8.686 6.072 -4.359 1.00 0.00 C ATOM 241 C VAL A 201 -8.781 6.984 -3.141 1.00 0.00 C ATOM 242 O VAL A 201 -9.841 7.106 -2.525 1.00 0.00 O ATOM 243 CB VAL A 201 -9.319 6.781 -5.572 1.00 0.00 C ATOM 244 CG1 VAL A 201 -8.558 8.054 -5.908 1.00 0.00 C ATOM 245 CG2 VAL A 201 -9.365 5.846 -6.772 1.00 0.00 C ATOM 0 H VAL A 201 -10.248 4.683 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 201 -7.637 5.868 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 201 -10.342 7.056 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -9.021 8.539 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -8.583 8.729 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -7.523 7.807 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -9.815 6.363 -7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -8.352 5.537 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -9.961 4.967 -6.526 1.00 0.00 H new ATOM 255 N LYS A 202 -7.668 7.624 -2.797 1.00 0.00 N ATOM 256 CA LYS A 202 -7.627 8.525 -1.651 1.00 0.00 C ATOM 257 C LYS A 202 -8.348 9.832 -1.959 1.00 0.00 C ATOM 258 O LYS A 202 -8.076 10.480 -2.971 1.00 0.00 O ATOM 259 CB LYS A 202 -6.177 8.809 -1.252 1.00 0.00 C ATOM 260 CG LYS A 202 -5.353 9.444 -2.360 1.00 0.00 C ATOM 261 CD LYS A 202 -5.153 10.933 -2.125 1.00 0.00 C ATOM 262 CE LYS A 202 -4.964 11.684 -3.433 1.00 0.00 C ATOM 263 NZ LYS A 202 -3.537 12.037 -3.671 1.00 0.00 N ATOM 0 H LYS A 202 -6.783 7.535 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 202 -8.137 8.039 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -6.171 9.467 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -5.703 7.876 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -4.383 8.951 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -5.850 9.290 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -6.015 11.337 -1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.283 11.088 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.329 11.073 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.565 12.593 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -3.452 12.548 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -3.195 12.642 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -2.966 11.168 -3.710 1.00 0.00 H new ATOM 277 N SER A 203 -9.270 10.214 -1.082 1.00 0.00 N ATOM 278 CA SER A 203 -10.033 11.446 -1.258 1.00 0.00 C ATOM 279 C SER A 203 -10.877 11.384 -2.528 1.00 0.00 C ATOM 280 O SER A 203 -10.946 10.349 -3.189 1.00 0.00 O ATOM 281 CB SER A 203 -9.094 12.651 -1.313 1.00 0.00 C ATOM 282 OG SER A 203 -7.953 12.448 -0.498 1.00 0.00 O ATOM 0 H SER A 203 -9.508 9.688 -0.241 1.00 0.00 H new ATOM 0 HA SER A 203 -10.701 11.556 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 203 -8.782 12.826 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 203 -9.625 13.545 -0.984 1.00 0.00 H new ATOM 0 HG SER A 203 -7.368 13.233 -0.553 1.00 0.00 H new ATOM 288 N GLY A 204 -11.516 12.502 -2.862 1.00 0.00 N ATOM 289 CA GLY A 204 -12.347 12.554 -4.050 1.00 0.00 C ATOM 290 C GLY A 204 -12.057 13.770 -4.907 1.00 0.00 C ATOM 291 O GLY A 204 -12.977 14.438 -5.380 1.00 0.00 O ATOM 0 H GLY A 204 -11.473 13.372 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.189 11.651 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.396 12.563 -3.756 1.00 0.00 H new ATOM 295 N ASP A 205 -10.777 14.059 -5.108 1.00 0.00 N ATOM 296 CA ASP A 205 -10.368 15.205 -5.914 1.00 0.00 C ATOM 297 C ASP A 205 -10.503 14.898 -7.402 1.00 0.00 C ATOM 298 O ASP A 205 -9.541 14.491 -8.051 1.00 0.00 O ATOM 299 CB ASP A 205 -8.924 15.593 -5.589 1.00 0.00 C ATOM 300 CG ASP A 205 -8.618 17.033 -5.949 1.00 0.00 C ATOM 301 OD1 ASP A 205 -8.346 17.303 -7.138 1.00 0.00 O ATOM 302 OD2 ASP A 205 -8.649 17.891 -5.042 1.00 0.00 O ATOM 0 H ASP A 205 -10.003 13.516 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.024 16.041 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -8.740 15.440 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -8.243 14.934 -6.128 1.00 0.00 H new ATOM 307 N LYS A 206 -11.704 15.099 -7.935 1.00 0.00 N ATOM 308 CA LYS A 206 -11.966 14.844 -9.347 1.00 0.00 C ATOM 309 C LYS A 206 -11.726 13.377 -9.690 1.00 0.00 C ATOM 310 O LYS A 206 -11.944 13.001 -10.860 1.00 0.00 O ATOM 311 CB LYS A 206 -11.080 15.735 -10.221 1.00 0.00 C ATOM 312 CG LYS A 206 -11.726 17.063 -10.585 1.00 0.00 C ATOM 313 CD LYS A 206 -12.263 17.052 -12.006 1.00 0.00 C ATOM 314 CE LYS A 206 -11.286 17.696 -12.977 1.00 0.00 C ATOM 315 NZ LYS A 206 -11.381 19.181 -12.956 1.00 0.00 N ATOM 316 OXT LYS A 206 -11.323 12.617 -8.784 1.00 0.00 O ATOM 0 H LYS A 206 -12.511 15.438 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 206 -13.012 15.078 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -10.143 15.927 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -10.830 15.199 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -12.538 17.276 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -10.996 17.865 -10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -12.459 16.025 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -13.215 17.583 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -10.270 17.394 -12.724 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -11.484 17.334 -13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -10.699 19.582 -13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -12.344 19.471 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -11.167 19.529 -12.000 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 24.982 10.603 4.491 1.00 0.00 N ATOM 332 CA SER B 7 24.373 9.980 3.287 1.00 0.00 C ATOM 333 C SER B 7 23.096 9.224 3.642 1.00 0.00 C ATOM 334 O SER B 7 23.147 8.091 4.120 1.00 0.00 O ATOM 335 CB SER B 7 25.394 9.027 2.664 1.00 0.00 C ATOM 336 OG SER B 7 25.209 8.925 1.262 1.00 0.00 O ATOM 0 HA SER B 7 24.104 10.762 2.577 1.00 0.00 H new ATOM 0 HB2 SER B 7 26.403 9.381 2.876 1.00 0.00 H new ATOM 0 HB3 SER B 7 25.300 8.041 3.119 1.00 0.00 H new ATOM 0 HG SER B 7 25.875 8.311 0.888 1.00 0.00 H new ATOM 344 N HIS B 8 21.953 9.861 3.407 1.00 0.00 N ATOM 345 CA HIS B 8 20.661 9.249 3.705 1.00 0.00 C ATOM 346 C HIS B 8 19.777 9.210 2.457 1.00 0.00 C ATOM 347 O HIS B 8 19.256 10.240 2.026 1.00 0.00 O ATOM 348 CB HIS B 8 19.943 10.010 4.829 1.00 0.00 C ATOM 349 CG HIS B 8 20.600 11.302 5.214 1.00 0.00 C ATOM 350 ND1 HIS B 8 20.161 12.533 4.772 1.00 0.00 N ATOM 351 CD2 HIS B 8 21.669 11.550 6.007 1.00 0.00 C ATOM 352 CE1 HIS B 8 20.932 13.481 5.274 1.00 0.00 C ATOM 353 NE2 HIS B 8 21.854 12.912 6.027 1.00 0.00 N ATOM 0 H HIS B 8 21.894 10.799 3.012 1.00 0.00 H new ATOM 0 HA HIS B 8 20.846 8.227 4.036 1.00 0.00 H new ATOM 0 HB2 HIS B 8 18.919 10.215 4.517 1.00 0.00 H new ATOM 0 HB3 HIS B 8 19.886 9.368 5.708 1.00 0.00 H new ATOM 0 HD2 HIS B 8 22.265 10.815 6.527 1.00 0.00 H new ATOM 0 HE1 HIS B 8 20.826 14.541 5.098 1.00 0.00 H new ATOM 0 HE2 HIS B 8 22.586 13.403 6.541 1.00 0.00 H new ATOM 362 N PRO B 9 19.592 8.019 1.857 1.00 0.00 N ATOM 363 CA PRO B 9 18.764 7.861 0.655 1.00 0.00 C ATOM 364 C PRO B 9 17.281 8.075 0.941 1.00 0.00 C ATOM 365 O PRO B 9 16.875 8.220 2.094 1.00 0.00 O ATOM 366 CB PRO B 9 19.023 6.414 0.230 1.00 0.00 C ATOM 367 CG PRO B 9 19.426 5.718 1.483 1.00 0.00 C ATOM 368 CD PRO B 9 20.172 6.735 2.299 1.00 0.00 C ATOM 0 HA PRO B 9 19.015 8.595 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO B 9 18.131 5.963 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO B 9 19.808 6.357 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO B 9 18.554 5.349 2.022 1.00 0.00 H new ATOM 0 HG3 PRO B 9 20.055 4.855 1.265 1.00 0.00 H new ATOM 0 HD2 PRO B 9 20.029 6.576 3.368 1.00 0.00 H new ATOM 0 HD3 PRO B 9 21.245 6.693 2.111 1.00 0.00 H new ATOM 376 N GLU B 10 16.477 8.096 -0.119 1.00 0.00 N ATOM 377 CA GLU B 10 15.037 8.294 0.015 1.00 0.00 C ATOM 378 C GLU B 10 14.301 6.962 0.160 1.00 0.00 C ATOM 379 O GLU B 10 13.203 6.791 -0.369 1.00 0.00 O ATOM 380 CB GLU B 10 14.497 9.065 -1.194 1.00 0.00 C ATOM 381 CG GLU B 10 13.727 10.320 -0.821 1.00 0.00 C ATOM 382 CD GLU B 10 14.624 11.536 -0.685 1.00 0.00 C ATOM 383 OE1 GLU B 10 15.556 11.495 0.146 1.00 0.00 O ATOM 384 OE2 GLU B 10 14.395 12.526 -1.409 1.00 0.00 O ATOM 0 H GLU B 10 16.798 7.978 -1.080 1.00 0.00 H new ATOM 0 HA GLU B 10 14.861 8.874 0.921 1.00 0.00 H new ATOM 0 HB2 GLU B 10 15.330 9.339 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU B 10 13.847 8.408 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU B 10 12.969 10.515 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU B 10 13.202 10.154 0.119 1.00 0.00 H new ATOM 391 N ASP B 11 14.907 6.023 0.880 1.00 0.00 N ATOM 392 CA ASP B 11 14.302 4.712 1.092 1.00 0.00 C ATOM 393 C ASP B 11 13.949 4.509 2.562 1.00 0.00 C ATOM 394 O ASP B 11 14.791 4.100 3.361 1.00 0.00 O ATOM 395 CB ASP B 11 15.252 3.607 0.623 1.00 0.00 C ATOM 396 CG ASP B 11 14.914 3.104 -0.766 1.00 0.00 C ATOM 397 OD1 ASP B 11 14.314 3.873 -1.546 1.00 0.00 O ATOM 398 OD2 ASP B 11 15.252 1.942 -1.076 1.00 0.00 O ATOM 0 H ASP B 11 15.816 6.145 1.326 1.00 0.00 H new ATOM 0 HA ASP B 11 13.384 4.662 0.507 1.00 0.00 H new ATOM 0 HB2 ASP B 11 16.275 3.984 0.631 1.00 0.00 H new ATOM 0 HB3 ASP B 11 15.213 2.776 1.327 1.00 0.00 H new ATOM 403 N ASP B 12 12.698 4.801 2.913 1.00 0.00 N ATOM 404 CA ASP B 12 12.229 4.652 4.288 1.00 0.00 C ATOM 405 C ASP B 12 10.821 5.223 4.439 1.00 0.00 C ATOM 406 O ASP B 12 10.632 6.290 5.022 1.00 0.00 O ATOM 407 CB ASP B 12 13.185 5.354 5.259 1.00 0.00 C ATOM 408 CG ASP B 12 14.085 4.378 5.993 1.00 0.00 C ATOM 409 OD1 ASP B 12 14.129 3.194 5.595 1.00 0.00 O ATOM 410 OD2 ASP B 12 14.748 4.798 6.965 1.00 0.00 O ATOM 0 H ASP B 12 11.990 5.143 2.263 1.00 0.00 H new ATOM 0 HA ASP B 12 12.203 3.589 4.526 1.00 0.00 H new ATOM 0 HB2 ASP B 12 13.799 6.066 4.708 1.00 0.00 H new ATOM 0 HB3 ASP B 12 12.606 5.926 5.984 1.00 0.00 H new ATOM 415 N TRP B 13 9.837 4.506 3.905 1.00 0.00 N ATOM 416 CA TRP B 13 8.447 4.945 3.976 1.00 0.00 C ATOM 417 C TRP B 13 7.733 4.367 5.204 1.00 0.00 C ATOM 418 O TRP B 13 6.527 4.128 5.188 1.00 0.00 O ATOM 419 CB TRP B 13 7.726 4.607 2.665 1.00 0.00 C ATOM 420 CG TRP B 13 6.771 3.468 2.753 1.00 0.00 C ATOM 421 CD1 TRP B 13 5.502 3.441 2.281 1.00 0.00 C ATOM 422 CD2 TRP B 13 7.008 2.204 3.359 1.00 0.00 C ATOM 423 NE1 TRP B 13 4.930 2.216 2.536 1.00 0.00 N ATOM 424 CE2 TRP B 13 5.841 1.438 3.204 1.00 0.00 C ATOM 425 CE3 TRP B 13 8.103 1.651 4.013 1.00 0.00 C ATOM 426 CZ2 TRP B 13 5.741 0.134 3.683 1.00 0.00 C ATOM 427 CZ3 TRP B 13 8.007 0.357 4.490 1.00 0.00 C ATOM 428 CH2 TRP B 13 6.832 -0.389 4.322 1.00 0.00 C ATOM 0 H TRP B 13 9.976 3.620 3.419 1.00 0.00 H new ATOM 0 HA TRP B 13 8.427 6.028 4.100 1.00 0.00 H new ATOM 0 HB2 TRP B 13 7.185 5.491 2.326 1.00 0.00 H new ATOM 0 HB3 TRP B 13 8.473 4.379 1.904 1.00 0.00 H new ATOM 0 HD1 TRP B 13 5.011 4.261 1.778 1.00 0.00 H new ATOM 0 HE1 TRP B 13 3.986 1.933 2.272 1.00 0.00 H new ATOM 0 HE3 TRP B 13 9.011 2.221 4.146 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 4.837 -0.442 3.555 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 8.850 -0.086 5.000 1.00 0.00 H new ATOM 0 HH2 TRP B 13 6.787 -1.398 4.705 1.00 0.00 H new ATOM 439 N LEU B 14 8.490 4.174 6.280 1.00 0.00 N ATOM 440 CA LEU B 14 7.939 3.650 7.522 1.00 0.00 C ATOM 441 C LEU B 14 7.637 4.786 8.488 1.00 0.00 C ATOM 442 O LEU B 14 7.973 4.727 9.671 1.00 0.00 O ATOM 443 CB LEU B 14 8.906 2.654 8.154 1.00 0.00 C ATOM 444 CG LEU B 14 8.706 1.196 7.727 1.00 0.00 C ATOM 445 CD1 LEU B 14 9.996 0.619 7.164 1.00 0.00 C ATOM 446 CD2 LEU B 14 8.213 0.359 8.899 1.00 0.00 C ATOM 0 H LEU B 14 9.490 4.374 6.315 1.00 0.00 H new ATOM 0 HA LEU B 14 7.007 3.131 7.297 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.925 2.953 7.906 1.00 0.00 H new ATOM 0 HB3 LEU B 14 8.810 2.716 9.238 1.00 0.00 H new ATOM 0 HG LEU B 14 7.949 1.170 6.943 1.00 0.00 H new ATOM 0 HD11 LEU B 14 9.832 -0.417 6.867 1.00 0.00 H new ATOM 0 HD12 LEU B 14 10.306 1.201 6.296 1.00 0.00 H new ATOM 0 HD13 LEU B 14 10.775 0.659 7.925 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.077 -0.673 8.577 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.946 0.394 9.705 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.263 0.756 9.256 1.00 0.00 H new ATOM 458 N GLU B 15 6.993 5.814 7.962 1.00 0.00 N ATOM 459 CA GLU B 15 6.622 6.983 8.747 1.00 0.00 C ATOM 460 C GLU B 15 5.213 7.436 8.384 1.00 0.00 C ATOM 461 O GLU B 15 5.029 8.431 7.684 1.00 0.00 O ATOM 462 CB GLU B 15 7.617 8.122 8.515 1.00 0.00 C ATOM 463 CG GLU B 15 7.710 8.563 7.063 1.00 0.00 C ATOM 464 CD GLU B 15 7.608 10.068 6.903 1.00 0.00 C ATOM 465 OE1 GLU B 15 6.775 10.685 7.599 1.00 0.00 O ATOM 466 OE2 GLU B 15 8.361 10.630 6.079 1.00 0.00 O ATOM 0 H GLU B 15 6.713 5.864 6.983 1.00 0.00 H new ATOM 0 HA GLU B 15 6.644 6.712 9.802 1.00 0.00 H new ATOM 0 HB2 GLU B 15 7.328 8.976 9.128 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.604 7.806 8.854 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.655 8.220 6.643 1.00 0.00 H new ATOM 0 HG3 GLU B 15 6.915 8.086 6.490 1.00 0.00 H new ATOM 473 N ASN B 16 4.225 6.679 8.857 1.00 0.00 N ATOM 474 CA ASN B 16 2.816 6.966 8.589 1.00 0.00 C ATOM 475 C ASN B 16 2.386 6.352 7.260 1.00 0.00 C ATOM 476 O ASN B 16 1.899 7.045 6.366 1.00 0.00 O ATOM 477 CB ASN B 16 2.543 8.462 8.596 1.00 0.00 C ATOM 478 CG ASN B 16 1.269 8.816 9.339 1.00 0.00 C ATOM 479 OD1 ASN B 16 1.256 8.904 10.567 1.00 0.00 O ATOM 480 ND2 ASN B 16 0.188 9.020 8.595 1.00 0.00 N ATOM 0 H ASN B 16 4.377 5.852 9.435 1.00 0.00 H new ATOM 0 HA ASN B 16 2.228 6.515 9.389 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.384 8.980 9.057 1.00 0.00 H new ATOM 0 HB3 ASN B 16 2.472 8.820 7.569 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -0.699 9.260 9.039 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.244 8.937 7.580 1.00 0.00 H new ATOM 487 N ILE B 17 2.578 5.042 7.141 1.00 0.00 N ATOM 488 CA ILE B 17 2.223 4.318 5.929 1.00 0.00 C ATOM 489 C ILE B 17 0.716 4.124 5.812 1.00 0.00 C ATOM 490 O ILE B 17 -0.014 4.226 6.798 1.00 0.00 O ATOM 491 CB ILE B 17 2.899 2.945 5.874 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.331 3.022 6.410 1.00 0.00 C ATOM 493 CG2 ILE B 17 2.882 2.401 4.454 1.00 0.00 C ATOM 494 CD1 ILE B 17 4.478 2.493 7.820 1.00 0.00 C ATOM 0 H ILE B 17 2.980 4.459 7.875 1.00 0.00 H new ATOM 0 HA ILE B 17 2.574 4.927 5.096 1.00 0.00 H new ATOM 0 HB ILE B 17 2.338 2.261 6.510 1.00 0.00 H new ATOM 0 HG12 ILE B 17 4.989 2.458 5.749 1.00 0.00 H new ATOM 0 HG13 ILE B 17 4.665 4.059 6.383 1.00 0.00 H new ATOM 0 HG21 ILE B 17 3.366 1.425 4.433 1.00 0.00 H new ATOM 0 HG22 ILE B 17 1.851 2.302 4.115 1.00 0.00 H new ATOM 0 HG23 ILE B 17 3.417 3.086 3.796 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.518 2.579 8.134 1.00 0.00 H new ATOM 0 HD12 ILE B 17 3.847 3.072 8.494 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.175 1.446 7.849 1.00 0.00 H new ATOM 506 N ASP B 18 0.261 3.835 4.598 1.00 0.00 N ATOM 507 CA ASP B 18 -1.157 3.617 4.341 1.00 0.00 C ATOM 508 C ASP B 18 -1.449 2.126 4.197 1.00 0.00 C ATOM 509 O ASP B 18 -1.272 1.551 3.123 1.00 0.00 O ATOM 510 CB ASP B 18 -1.584 4.362 3.074 1.00 0.00 C ATOM 511 CG ASP B 18 -2.742 5.309 3.323 1.00 0.00 C ATOM 512 OD1 ASP B 18 -2.599 6.210 4.177 1.00 0.00 O ATOM 513 OD2 ASP B 18 -3.791 5.151 2.665 1.00 0.00 O ATOM 0 H ASP B 18 0.856 3.746 3.774 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.727 4.003 5.186 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.736 4.924 2.683 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.867 3.639 2.309 1.00 0.00 H new ATOM 518 N VAL B 19 -1.891 1.505 5.285 1.00 0.00 N ATOM 519 CA VAL B 19 -2.200 0.081 5.276 1.00 0.00 C ATOM 520 C VAL B 19 -3.598 -0.178 4.724 1.00 0.00 C ATOM 521 O VAL B 19 -4.600 0.179 5.344 1.00 0.00 O ATOM 522 CB VAL B 19 -2.090 -0.529 6.690 1.00 0.00 C ATOM 523 CG1 VAL B 19 -2.424 -2.015 6.666 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.697 -0.304 7.258 1.00 0.00 C ATOM 0 H VAL B 19 -2.043 1.965 6.183 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.466 -0.397 4.627 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.813 -0.029 7.335 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -2.340 -2.423 7.673 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -3.442 -2.153 6.302 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.729 -2.533 6.005 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.636 -0.740 8.255 1.00 0.00 H new ATOM 0 HG22 VAL B 19 0.041 -0.776 6.610 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.496 0.766 7.317 1.00 0.00 H new ATOM 534 N CYS B 20 -3.651 -0.804 3.555 1.00 0.00 N ATOM 535 CA CYS B 20 -4.918 -1.121 2.908 1.00 0.00 C ATOM 536 C CYS B 20 -5.787 -1.990 3.814 1.00 0.00 C ATOM 537 O CYS B 20 -5.671 -3.215 3.818 1.00 0.00 O ATOM 538 CB CYS B 20 -4.657 -1.829 1.583 1.00 0.00 C ATOM 539 SG CYS B 20 -6.152 -2.120 0.578 1.00 0.00 S ATOM 0 H CYS B 20 -2.827 -1.103 3.034 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.455 -0.192 2.716 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -3.952 -1.236 1.001 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.177 -2.787 1.785 1.00 0.00 H new ATOM 544 N GLU B 21 -6.651 -1.340 4.588 1.00 0.00 N ATOM 545 CA GLU B 21 -7.540 -2.039 5.514 1.00 0.00 C ATOM 546 C GLU B 21 -8.373 -3.103 4.805 1.00 0.00 C ATOM 547 O GLU B 21 -8.844 -4.052 5.434 1.00 0.00 O ATOM 548 CB GLU B 21 -8.464 -1.039 6.213 1.00 0.00 C ATOM 549 CG GLU B 21 -9.055 0.004 5.275 1.00 0.00 C ATOM 550 CD GLU B 21 -8.758 1.423 5.721 1.00 0.00 C ATOM 551 OE1 GLU B 21 -7.665 1.931 5.395 1.00 0.00 O ATOM 552 OE2 GLU B 21 -9.620 2.025 6.394 1.00 0.00 O ATOM 0 H GLU B 21 -6.755 -0.325 4.593 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.916 -2.540 6.254 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.276 -1.583 6.695 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.907 -0.532 7.001 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.658 -0.148 4.271 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.134 -0.136 5.215 1.00 0.00 H new ATOM 559 N ASN B 22 -8.558 -2.946 3.497 1.00 0.00 N ATOM 560 CA ASN B 22 -9.340 -3.901 2.718 1.00 0.00 C ATOM 561 C ASN B 22 -8.812 -5.319 2.907 1.00 0.00 C ATOM 562 O ASN B 22 -9.581 -6.280 2.940 1.00 0.00 O ATOM 563 CB ASN B 22 -9.312 -3.530 1.234 1.00 0.00 C ATOM 564 CG ASN B 22 -9.742 -2.097 0.987 1.00 0.00 C ATOM 565 OD1 ASN B 22 -9.208 -1.164 1.586 1.00 0.00 O ATOM 566 ND2 ASN B 22 -10.713 -1.916 0.100 1.00 0.00 N ATOM 0 H ASN B 22 -8.178 -2.169 2.956 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.369 -3.863 3.075 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -8.304 -3.676 0.845 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -9.968 -4.203 0.682 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -11.045 -0.974 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -11.127 -2.719 -0.373 1.00 0.00 H new ATOM 573 N CYS B 23 -7.495 -5.442 3.028 1.00 0.00 N ATOM 574 CA CYS B 23 -6.862 -6.745 3.211 1.00 0.00 C ATOM 575 C CYS B 23 -5.873 -6.740 4.379 1.00 0.00 C ATOM 576 O CYS B 23 -5.318 -7.782 4.728 1.00 0.00 O ATOM 577 CB CYS B 23 -6.150 -7.171 1.926 1.00 0.00 C ATOM 578 SG CYS B 23 -5.271 -5.821 1.072 1.00 0.00 S ATOM 0 H CYS B 23 -6.845 -4.657 3.003 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.649 -7.461 3.446 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.436 -7.960 2.164 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -6.883 -7.600 1.243 1.00 0.00 H new ATOM 583 N HIS B 24 -5.649 -5.566 4.978 1.00 0.00 N ATOM 584 CA HIS B 24 -4.722 -5.428 6.105 1.00 0.00 C ATOM 585 C HIS B 24 -3.268 -5.330 5.635 1.00 0.00 C ATOM 586 O HIS B 24 -2.382 -4.974 6.411 1.00 0.00 O ATOM 587 CB HIS B 24 -4.877 -6.583 7.086 1.00 0.00 C ATOM 588 CG HIS B 24 -5.017 -6.145 8.511 1.00 0.00 C ATOM 589 ND1 HIS B 24 -4.024 -6.317 9.452 1.00 0.00 N ATOM 590 CD2 HIS B 24 -6.042 -5.538 9.155 1.00 0.00 C ATOM 591 CE1 HIS B 24 -4.432 -5.835 10.613 1.00 0.00 C ATOM 592 NE2 HIS B 24 -5.653 -5.357 10.459 1.00 0.00 N ATOM 0 H HIS B 24 -6.099 -4.694 4.699 1.00 0.00 H new ATOM 0 HA HIS B 24 -4.976 -4.498 6.614 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -5.752 -7.170 6.808 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -4.012 -7.240 7.000 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -6.989 -5.250 8.723 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -3.863 -5.833 11.531 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -6.216 -4.923 11.191 1.00 0.00 H new ATOM 601 N TYR B 25 -3.032 -5.641 4.364 1.00 0.00 N ATOM 602 CA TYR B 25 -1.703 -5.584 3.791 1.00 0.00 C ATOM 603 C TYR B 25 -1.271 -4.138 3.569 1.00 0.00 C ATOM 604 O TYR B 25 -2.089 -3.284 3.228 1.00 0.00 O ATOM 605 CB TYR B 25 -1.705 -6.327 2.472 1.00 0.00 C ATOM 606 CG TYR B 25 -1.955 -7.812 2.610 1.00 0.00 C ATOM 607 CD1 TYR B 25 -1.330 -8.552 3.607 1.00 0.00 C ATOM 608 CD2 TYR B 25 -2.818 -8.474 1.745 1.00 0.00 C ATOM 609 CE1 TYR B 25 -1.558 -9.908 3.737 1.00 0.00 C ATOM 610 CE2 TYR B 25 -3.050 -9.830 1.869 1.00 0.00 C ATOM 611 CZ TYR B 25 -2.419 -10.542 2.866 1.00 0.00 C ATOM 612 OH TYR B 25 -2.649 -11.893 2.993 1.00 0.00 O ATOM 0 H TYR B 25 -3.756 -5.937 3.710 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.997 -6.048 4.480 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.470 -5.898 1.825 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.746 -6.174 1.977 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -0.655 -8.059 4.291 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.315 -7.919 0.963 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -1.064 -10.469 4.517 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -3.723 -10.330 1.188 1.00 0.00 H new ATOM 0 HH TYR B 25 -3.281 -12.184 2.302 1.00 0.00 H new ATOM 622 N PRO B 26 0.024 -3.840 3.757 1.00 0.00 N ATOM 623 CA PRO B 26 0.552 -2.488 3.573 1.00 0.00 C ATOM 624 C PRO B 26 0.729 -2.132 2.101 1.00 0.00 C ATOM 625 O PRO B 26 1.682 -2.571 1.458 1.00 0.00 O ATOM 626 CB PRO B 26 1.908 -2.550 4.274 1.00 0.00 C ATOM 627 CG PRO B 26 2.335 -3.970 4.135 1.00 0.00 C ATOM 628 CD PRO B 26 1.076 -4.794 4.165 1.00 0.00 C ATOM 0 HA PRO B 26 -0.118 -1.726 3.970 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.626 -1.873 3.811 1.00 0.00 H new ATOM 0 HB3 PRO B 26 1.827 -2.261 5.322 1.00 0.00 H new ATOM 0 HG2 PRO B 26 2.878 -4.123 3.202 1.00 0.00 H new ATOM 0 HG3 PRO B 26 3.006 -4.255 4.945 1.00 0.00 H new ATOM 0 HD2 PRO B 26 1.135 -5.641 3.482 1.00 0.00 H new ATOM 0 HD3 PRO B 26 0.886 -5.199 5.159 1.00 0.00 H new ATOM 636 N ILE B 27 -0.188 -1.327 1.573 1.00 0.00 N ATOM 637 CA ILE B 27 -0.117 -0.908 0.179 1.00 0.00 C ATOM 638 C ILE B 27 1.088 0.006 -0.047 1.00 0.00 C ATOM 639 O ILE B 27 1.053 1.195 0.271 1.00 0.00 O ATOM 640 CB ILE B 27 -1.430 -0.212 -0.275 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.382 -1.239 -0.889 1.00 0.00 C ATOM 642 CG2 ILE B 27 -1.157 0.920 -1.264 1.00 0.00 C ATOM 643 CD1 ILE B 27 -3.671 -0.637 -1.408 1.00 0.00 C ATOM 0 H ILE B 27 -0.986 -0.954 2.088 1.00 0.00 H new ATOM 0 HA ILE B 27 0.008 -1.803 -0.431 1.00 0.00 H new ATOM 0 HB ILE B 27 -1.897 0.229 0.606 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -1.874 -1.749 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.619 -1.995 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -2.100 1.382 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.518 1.667 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -0.659 0.520 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.297 -1.424 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.201 -0.151 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.444 0.098 -2.180 1.00 0.00 H new ATOM 655 N VAL B 28 2.156 -0.568 -0.596 1.00 0.00 N ATOM 656 CA VAL B 28 3.377 0.173 -0.868 1.00 0.00 C ATOM 657 C VAL B 28 3.496 0.369 -2.376 1.00 0.00 C ATOM 658 O VAL B 28 2.917 -0.374 -3.168 1.00 0.00 O ATOM 659 CB VAL B 28 4.642 -0.555 -0.402 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.642 0.397 0.238 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.334 -1.741 0.501 1.00 0.00 C ATOM 0 H VAL B 28 2.196 -1.552 -0.862 1.00 0.00 H new ATOM 0 HA VAL B 28 3.307 1.114 -0.322 1.00 0.00 H new ATOM 0 HB VAL B 28 5.111 -0.961 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.524 -0.160 0.554 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.934 1.158 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.186 0.876 1.104 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.265 -2.221 0.802 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.801 -1.395 1.387 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.715 -2.458 -0.038 1.00 0.00 H new ATOM 671 N PRO B 29 4.254 1.372 -2.768 1.00 0.00 N ATOM 672 CA PRO B 29 4.498 1.722 -4.150 1.00 0.00 C ATOM 673 C PRO B 29 5.725 1.018 -4.722 1.00 0.00 C ATOM 674 O PRO B 29 6.837 1.545 -4.671 1.00 0.00 O ATOM 675 CB PRO B 29 4.727 3.231 -4.066 1.00 0.00 C ATOM 676 CG PRO B 29 5.248 3.479 -2.678 1.00 0.00 C ATOM 677 CD PRO B 29 4.962 2.239 -1.859 1.00 0.00 C ATOM 0 HA PRO B 29 3.682 1.427 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO B 29 5.442 3.562 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.802 3.779 -4.242 1.00 0.00 H new ATOM 0 HG2 PRO B 29 6.318 3.685 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO B 29 4.765 4.351 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO B 29 5.882 1.776 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.361 2.472 -0.980 1.00 0.00 H new ATOM 685 N LEU B 30 5.515 -0.181 -5.258 1.00 0.00 N ATOM 686 CA LEU B 30 6.592 -0.969 -5.831 1.00 0.00 C ATOM 687 C LEU B 30 7.421 -0.152 -6.819 1.00 0.00 C ATOM 688 O LEU B 30 6.988 0.901 -7.288 1.00 0.00 O ATOM 689 CB LEU B 30 6.024 -2.208 -6.526 1.00 0.00 C ATOM 690 CG LEU B 30 7.012 -3.363 -6.701 1.00 0.00 C ATOM 691 CD1 LEU B 30 6.319 -4.698 -6.475 1.00 0.00 C ATOM 692 CD2 LEU B 30 7.646 -3.317 -8.082 1.00 0.00 C ATOM 0 H LEU B 30 4.599 -0.628 -5.305 1.00 0.00 H new ATOM 0 HA LEU B 30 7.248 -1.277 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU B 30 5.168 -2.566 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU B 30 5.652 -1.916 -7.508 1.00 0.00 H new ATOM 0 HG LEU B 30 7.801 -3.256 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU B 30 7.038 -5.507 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU B 30 5.913 -4.731 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU B 30 5.509 -4.814 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU B 30 8.346 -4.146 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU B 30 6.869 -3.398 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.178 -2.374 -8.207 1.00 0.00 H new ATOM 704 N ASP B 31 8.613 -0.649 -7.133 1.00 0.00 N ATOM 705 CA ASP B 31 9.505 0.028 -8.068 1.00 0.00 C ATOM 706 C ASP B 31 9.858 1.427 -7.573 1.00 0.00 C ATOM 707 O ASP B 31 9.408 1.854 -6.509 1.00 0.00 O ATOM 708 CB ASP B 31 8.859 0.114 -9.452 1.00 0.00 C ATOM 709 CG ASP B 31 9.874 -0.015 -10.571 1.00 0.00 C ATOM 710 OD1 ASP B 31 11.054 0.326 -10.345 1.00 0.00 O ATOM 711 OD2 ASP B 31 9.488 -0.456 -11.675 1.00 0.00 O ATOM 0 H ASP B 31 8.984 -1.520 -6.753 1.00 0.00 H new ATOM 0 HA ASP B 31 10.423 -0.555 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP B 31 8.111 -0.673 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP B 31 8.335 1.065 -9.547 1.00 0.00 H new ATOM 716 N GLY B 32 10.668 2.137 -8.353 1.00 0.00 N ATOM 717 CA GLY B 32 11.070 3.481 -7.978 1.00 0.00 C ATOM 718 C GLY B 32 12.458 3.522 -7.371 1.00 0.00 C ATOM 719 O GLY B 32 12.675 4.167 -6.345 1.00 0.00 O ATOM 0 H GLY B 32 11.053 1.806 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.042 4.124 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY B 32 10.352 3.886 -7.264 1.00 0.00 H new ATOM 723 N LYS B 33 13.400 2.833 -8.006 1.00 0.00 N ATOM 724 CA LYS B 33 14.775 2.795 -7.521 1.00 0.00 C ATOM 725 C LYS B 33 15.701 2.162 -8.556 1.00 0.00 C ATOM 726 O LYS B 33 15.379 1.125 -9.140 1.00 0.00 O ATOM 727 CB LYS B 33 14.854 2.015 -6.208 1.00 0.00 C ATOM 728 CG LYS B 33 16.134 2.266 -5.427 1.00 0.00 C ATOM 729 CD LYS B 33 15.940 3.341 -4.369 1.00 0.00 C ATOM 730 CE LYS B 33 17.136 4.277 -4.302 1.00 0.00 C ATOM 731 NZ LYS B 33 16.894 5.421 -3.379 1.00 0.00 N ATOM 0 H LYS B 33 13.237 2.294 -8.856 1.00 0.00 H new ATOM 0 HA LYS B 33 15.100 3.821 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.000 2.281 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.772 0.949 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.459 1.340 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.926 2.567 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS B 33 15.040 3.914 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS B 33 15.788 2.873 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.013 3.722 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.357 4.656 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 17.733 6.036 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 16.072 5.966 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 16.708 5.061 -2.421 1.00 0.00 H new ATOM 745 N GLY B 34 16.850 2.791 -8.780 1.00 0.00 N ATOM 746 CA GLY B 34 17.803 2.274 -9.744 1.00 0.00 C ATOM 747 C GLY B 34 17.772 3.034 -11.056 1.00 0.00 C ATOM 748 O GLY B 34 17.324 2.508 -12.075 1.00 0.00 O ATOM 0 H GLY B 34 17.138 3.650 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY B 34 18.806 2.326 -9.322 1.00 0.00 H new ATOM 0 HA3 GLY B 34 17.590 1.222 -9.932 1.00 0.00 H new ATOM 752 N THR B 35 18.248 4.274 -11.031 1.00 0.00 N ATOM 753 CA THR B 35 18.274 5.107 -12.228 1.00 0.00 C ATOM 754 C THR B 35 19.488 6.030 -12.223 1.00 0.00 C ATOM 755 O THR B 35 20.385 5.822 -11.380 1.00 0.00 O ATOM 756 CB THR B 35 16.991 5.935 -12.325 1.00 0.00 C ATOM 757 OG1 THR B 35 16.515 6.276 -11.036 1.00 0.00 O ATOM 758 CG2 THR B 35 15.872 5.222 -13.054 1.00 0.00 C ATOM 759 OXT THR B 35 19.532 6.952 -13.065 1.00 0.00 O ATOM 0 H THR B 35 18.621 4.725 -10.195 1.00 0.00 H new ATOM 0 HA THR B 35 18.343 4.451 -13.096 1.00 0.00 H new ATOM 0 HB THR B 35 17.264 6.824 -12.893 1.00 0.00 H new ATOM 0 HG1 THR B 35 15.695 6.807 -11.120 1.00 0.00 H new ATOM 0 HG21 THR B 35 14.992 5.864 -13.087 1.00 0.00 H new ATOM 0 HG22 THR B 35 16.190 4.990 -14.070 1.00 0.00 H new ATOM 0 HG23 THR B 35 15.627 4.298 -12.530 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.673 -4.143 -0.525 1.00 0.00 ZN