USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=4 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= -0.268 K(o=-0.27,f=-3.7!) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= 0 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= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : B 16 ASN : amide:sc= -3.31 K(o=-3.3,f=-8.3!) USER MOD Single : B 22 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : B 24 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.065) 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 14.034 -16.855 4.271 1.00 0.00 N ATOM 2 CA ARG A 188 12.974 -16.217 5.094 1.00 0.00 C ATOM 3 C ARG A 188 11.610 -16.326 4.418 1.00 0.00 C ATOM 4 O ARG A 188 11.521 -16.484 3.201 1.00 0.00 O ATOM 5 CB ARG A 188 13.344 -14.747 5.310 1.00 0.00 C ATOM 6 CG ARG A 188 13.257 -14.304 6.762 1.00 0.00 C ATOM 7 CD ARG A 188 13.046 -12.803 6.874 1.00 0.00 C ATOM 8 NE ARG A 188 13.516 -12.278 8.154 1.00 0.00 N ATOM 9 CZ ARG A 188 13.148 -11.100 8.652 1.00 0.00 C ATOM 10 NH1 ARG A 188 12.307 -10.321 7.983 1.00 0.00 N ATOM 11 NH2 ARG A 188 13.621 -10.698 9.824 1.00 0.00 N ATOM 0 HA ARG A 188 12.905 -16.731 6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 188 14.358 -14.579 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 188 12.684 -14.123 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 188 12.436 -14.826 7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 188 14.172 -14.584 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 188 13.572 -12.301 6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 188 11.986 -12.576 6.756 1.00 0.00 H new ATOM 0 HE ARG A 188 14.164 -12.848 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 188 11.939 -10.624 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 188 12.029 -9.419 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 188 14.267 -11.292 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 188 13.339 -9.795 10.205 1.00 0.00 H new ATOM 27 N ASN A 189 10.551 -16.239 5.216 1.00 0.00 N ATOM 28 CA ASN A 189 9.191 -16.327 4.695 1.00 0.00 C ATOM 29 C ASN A 189 8.923 -15.217 3.684 1.00 0.00 C ATOM 30 O ASN A 189 9.455 -14.113 3.805 1.00 0.00 O ATOM 31 CB ASN A 189 8.179 -16.247 5.839 1.00 0.00 C ATOM 32 CG ASN A 189 6.758 -16.496 5.373 1.00 0.00 C ATOM 33 OD1 ASN A 189 6.533 -17.074 4.310 1.00 0.00 O ATOM 34 ND2 ASN A 189 5.789 -16.058 6.168 1.00 0.00 N ATOM 0 H ASN A 189 10.608 -16.108 6.226 1.00 0.00 H new ATOM 0 HA ASN A 189 9.083 -17.287 4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 189 8.441 -16.978 6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 189 8.238 -15.263 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 189 4.813 -16.196 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 189 6.021 -15.584 7.041 1.00 0.00 H new ATOM 41 N ARG A 190 8.096 -15.516 2.689 1.00 0.00 N ATOM 42 CA ARG A 190 7.758 -14.542 1.656 1.00 0.00 C ATOM 43 C ARG A 190 7.027 -13.345 2.257 1.00 0.00 C ATOM 44 O ARG A 190 6.409 -13.450 3.316 1.00 0.00 O ATOM 45 CB ARG A 190 6.895 -15.193 0.574 1.00 0.00 C ATOM 46 CG ARG A 190 7.287 -14.793 -0.839 1.00 0.00 C ATOM 47 CD ARG A 190 6.698 -13.445 -1.222 1.00 0.00 C ATOM 48 NE ARG A 190 6.133 -13.457 -2.569 1.00 0.00 N ATOM 49 CZ ARG A 190 5.087 -14.198 -2.927 1.00 0.00 C ATOM 50 NH1 ARG A 190 4.489 -14.988 -2.043 1.00 0.00 N ATOM 51 NH2 ARG A 190 4.637 -14.149 -4.174 1.00 0.00 N ATOM 0 H ARG A 190 7.647 -16.425 2.575 1.00 0.00 H new ATOM 0 HA ARG A 190 8.686 -14.189 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 190 6.965 -16.277 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 190 5.852 -14.925 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 190 8.373 -14.752 -0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 190 6.945 -15.553 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 190 5.923 -13.172 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 190 7.472 -12.680 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 190 6.565 -12.863 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 190 4.831 -15.030 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 190 3.688 -15.553 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 190 5.093 -13.544 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 190 3.835 -14.716 -4.450 1.00 0.00 H new ATOM 65 N ARG A 191 7.106 -12.207 1.575 1.00 0.00 N ATOM 66 CA ARG A 191 6.456 -10.991 2.041 1.00 0.00 C ATOM 67 C ARG A 191 5.141 -10.754 1.308 1.00 0.00 C ATOM 68 O ARG A 191 5.125 -10.517 0.099 1.00 0.00 O ATOM 69 CB ARG A 191 7.366 -9.782 1.866 1.00 0.00 C ATOM 70 CG ARG A 191 8.854 -10.093 1.958 1.00 0.00 C ATOM 71 CD ARG A 191 9.677 -9.133 1.114 1.00 0.00 C ATOM 72 NE ARG A 191 10.225 -8.036 1.910 1.00 0.00 N ATOM 73 CZ ARG A 191 9.561 -6.915 2.190 1.00 0.00 C ATOM 74 NH1 ARG A 191 8.324 -6.737 1.743 1.00 0.00 N ATOM 75 NH2 ARG A 191 10.137 -5.970 2.920 1.00 0.00 N ATOM 0 H ARG A 191 7.615 -12.103 0.697 1.00 0.00 H new ATOM 0 HA ARG A 191 6.246 -11.123 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 191 7.162 -9.327 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 191 7.115 -9.041 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 191 9.176 -10.033 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 191 9.034 -11.116 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 191 10.492 -9.677 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 191 9.055 -8.727 0.316 1.00 0.00 H new ATOM 0 HE ARG A 191 11.173 -8.135 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 191 7.876 -7.461 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 191 7.822 -5.876 1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 191 11.087 -6.101 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 191 9.630 -5.112 3.135 1.00 0.00 H new ATOM 89 N ARG A 192 4.038 -10.816 2.047 1.00 0.00 N ATOM 90 CA ARG A 192 2.715 -10.603 1.469 1.00 0.00 C ATOM 91 C ARG A 192 2.293 -9.145 1.605 1.00 0.00 C ATOM 92 O ARG A 192 2.695 -8.458 2.545 1.00 0.00 O ATOM 93 CB ARG A 192 1.692 -11.508 2.144 1.00 0.00 C ATOM 94 CG ARG A 192 0.546 -11.919 1.234 1.00 0.00 C ATOM 95 CD ARG A 192 -0.294 -13.024 1.856 1.00 0.00 C ATOM 96 NE ARG A 192 -0.047 -14.320 1.228 1.00 0.00 N ATOM 97 CZ ARG A 192 -0.869 -15.362 1.331 1.00 0.00 C ATOM 98 NH1 ARG A 192 -1.989 -15.265 2.035 1.00 0.00 N ATOM 99 NH2 ARG A 192 -0.569 -16.505 0.728 1.00 0.00 N ATOM 0 H ARG A 192 4.034 -11.012 3.048 1.00 0.00 H new ATOM 0 HA ARG A 192 2.763 -10.851 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 192 2.196 -12.404 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 192 1.286 -10.996 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -0.084 -11.054 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 192 0.944 -12.258 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -0.074 -13.090 2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -1.350 -12.772 1.763 1.00 0.00 H new ATOM 0 HE ARG A 192 0.805 -14.433 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -2.224 -14.389 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -2.615 -16.067 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 192 0.291 -16.585 0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -1.199 -17.304 0.807 1.00 0.00 H new ATOM 113 N VAL A 193 1.481 -8.674 0.662 1.00 0.00 N ATOM 114 CA VAL A 193 1.011 -7.294 0.684 1.00 0.00 C ATOM 115 C VAL A 193 -0.321 -7.147 -0.050 1.00 0.00 C ATOM 116 O VAL A 193 -0.943 -8.135 -0.443 1.00 0.00 O ATOM 117 CB VAL A 193 2.048 -6.335 0.065 1.00 0.00 C ATOM 118 CG1 VAL A 193 3.373 -6.434 0.804 1.00 0.00 C ATOM 119 CG2 VAL A 193 2.237 -6.623 -1.418 1.00 0.00 C ATOM 0 H VAL A 193 1.137 -9.226 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 193 0.867 -7.027 1.731 1.00 0.00 H new ATOM 0 HB VAL A 193 1.672 -5.317 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 193 4.093 -5.750 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.226 -6.168 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 193 3.751 -7.454 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 193 2.973 -5.934 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 193 2.586 -7.647 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.287 -6.494 -1.938 1.00 0.00 H new ATOM 129 N CYS A 194 -0.764 -5.902 -0.198 1.00 0.00 N ATOM 130 CA CYS A 194 -2.037 -5.594 -0.844 1.00 0.00 C ATOM 131 C CYS A 194 -2.238 -6.351 -2.151 1.00 0.00 C ATOM 132 O CYS A 194 -1.450 -6.227 -3.089 1.00 0.00 O ATOM 133 CB CYS A 194 -2.149 -4.096 -1.105 1.00 0.00 C ATOM 134 SG CYS A 194 -3.738 -3.601 -1.843 1.00 0.00 S ATOM 0 H CYS A 194 -0.253 -5.080 0.125 1.00 0.00 H new ATOM 0 HA CYS A 194 -2.819 -5.916 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 194 -2.012 -3.561 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 194 -1.339 -3.790 -1.767 1.00 0.00 H new ATOM 139 N LYS A 195 -3.340 -7.090 -2.213 1.00 0.00 N ATOM 140 CA LYS A 195 -3.714 -7.819 -3.400 1.00 0.00 C ATOM 141 C LYS A 195 -5.177 -7.545 -3.696 1.00 0.00 C ATOM 142 O LYS A 195 -6.035 -8.418 -3.562 1.00 0.00 O ATOM 143 CB LYS A 195 -3.474 -9.306 -3.218 1.00 0.00 C ATOM 144 CG LYS A 195 -2.031 -9.725 -3.452 1.00 0.00 C ATOM 145 CD LYS A 195 -1.664 -10.952 -2.629 1.00 0.00 C ATOM 146 CE LYS A 195 -1.495 -12.184 -3.505 1.00 0.00 C ATOM 147 NZ LYS A 195 -2.656 -13.109 -3.395 1.00 0.00 N ATOM 0 H LYS A 195 -3.994 -7.195 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 195 -3.101 -7.489 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 195 -3.767 -9.591 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 195 -4.119 -9.856 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 195 -1.880 -9.938 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 195 -1.366 -8.901 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 195 -0.739 -10.762 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 195 -2.439 -11.137 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 195 -1.373 -11.877 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 195 -0.584 -12.710 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 -2.501 -13.935 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 -2.757 -13.423 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 -3.522 -12.616 -3.692 1.00 0.00 H new ATOM 161 N CYS A 196 -5.442 -6.314 -4.092 1.00 0.00 N ATOM 162 CA CYS A 196 -6.796 -5.874 -4.411 1.00 0.00 C ATOM 163 C CYS A 196 -6.979 -5.728 -5.921 1.00 0.00 C ATOM 164 O CYS A 196 -6.108 -5.193 -6.607 1.00 0.00 O ATOM 165 CB CYS A 196 -7.104 -4.538 -3.725 1.00 0.00 C ATOM 166 SG CYS A 196 -7.341 -4.650 -1.919 1.00 0.00 S ATOM 0 H CYS A 196 -4.731 -5.591 -4.203 1.00 0.00 H new ATOM 0 HA CYS A 196 -7.488 -6.632 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.289 -3.843 -3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -8.004 -4.114 -4.171 1.00 0.00 H new ATOM 171 N PRO A 197 -8.119 -6.197 -6.462 1.00 0.00 N ATOM 172 CA PRO A 197 -8.409 -6.109 -7.891 1.00 0.00 C ATOM 173 C PRO A 197 -9.064 -4.784 -8.270 1.00 0.00 C ATOM 174 O PRO A 197 -9.788 -4.697 -9.262 1.00 0.00 O ATOM 175 CB PRO A 197 -9.376 -7.268 -8.099 1.00 0.00 C ATOM 176 CG PRO A 197 -10.139 -7.350 -6.817 1.00 0.00 C ATOM 177 CD PRO A 197 -9.218 -6.850 -5.727 1.00 0.00 C ATOM 0 HA PRO A 197 -7.511 -6.158 -8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -10.039 -7.086 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.844 -8.197 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -11.044 -6.744 -6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -10.452 -8.375 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -9.727 -6.150 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -8.853 -7.668 -5.106 1.00 0.00 H new ATOM 185 N ARG A 198 -8.802 -3.760 -7.465 1.00 0.00 N ATOM 186 CA ARG A 198 -9.351 -2.425 -7.686 1.00 0.00 C ATOM 187 C ARG A 198 -9.172 -1.575 -6.432 1.00 0.00 C ATOM 188 O ARG A 198 -10.118 -1.359 -5.675 1.00 0.00 O ATOM 189 CB ARG A 198 -10.836 -2.496 -8.059 1.00 0.00 C ATOM 190 CG ARG A 198 -11.624 -3.500 -7.234 1.00 0.00 C ATOM 191 CD ARG A 198 -12.769 -2.835 -6.486 1.00 0.00 C ATOM 192 NE ARG A 198 -13.812 -3.790 -6.119 1.00 0.00 N ATOM 193 CZ ARG A 198 -15.015 -3.438 -5.672 1.00 0.00 C ATOM 194 NH1 ARG A 198 -15.332 -2.156 -5.536 1.00 0.00 N ATOM 195 NH2 ARG A 198 -15.905 -4.371 -5.361 1.00 0.00 N ATOM 0 H ARG A 198 -8.204 -3.831 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 198 -8.811 -1.967 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -11.281 -1.508 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -10.925 -2.756 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -12.019 -4.278 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 198 -10.959 -3.989 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 198 -12.384 -2.355 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 198 -13.199 -2.049 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 198 -13.606 -4.785 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 198 -14.652 -1.434 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 198 -16.256 -1.893 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 198 -15.667 -5.357 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 198 -16.827 -4.102 -5.018 1.00 0.00 H new ATOM 209 N PRO A 199 -7.944 -1.087 -6.191 1.00 0.00 N ATOM 210 CA PRO A 199 -7.633 -0.267 -5.017 1.00 0.00 C ATOM 211 C PRO A 199 -8.584 0.916 -4.866 1.00 0.00 C ATOM 212 O PRO A 199 -9.174 1.381 -5.840 1.00 0.00 O ATOM 213 CB PRO A 199 -6.208 0.219 -5.289 1.00 0.00 C ATOM 214 CG PRO A 199 -5.624 -0.815 -6.189 1.00 0.00 C ATOM 215 CD PRO A 199 -6.760 -1.306 -7.043 1.00 0.00 C ATOM 0 HA PRO A 199 -7.734 -0.830 -4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -6.208 1.201 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -5.637 0.309 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -4.827 -0.394 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -5.186 -1.631 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -6.829 -0.751 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -6.641 -2.358 -7.304 1.00 0.00 H new ATOM 223 N VAL A 200 -8.725 1.398 -3.635 1.00 0.00 N ATOM 224 CA VAL A 200 -9.603 2.528 -3.353 1.00 0.00 C ATOM 225 C VAL A 200 -9.037 3.821 -3.929 1.00 0.00 C ATOM 226 O VAL A 200 -7.822 4.021 -3.958 1.00 0.00 O ATOM 227 CB VAL A 200 -9.823 2.700 -1.836 1.00 0.00 C ATOM 228 CG1 VAL A 200 -8.509 3.005 -1.132 1.00 0.00 C ATOM 229 CG2 VAL A 200 -10.848 3.792 -1.566 1.00 0.00 C ATOM 0 H VAL A 200 -8.243 1.024 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 200 -10.560 2.315 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 200 -10.210 1.762 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 200 -8.688 3.122 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 200 -7.810 2.185 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 200 -8.087 3.927 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 200 -10.991 3.899 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 200 -10.493 4.735 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 200 -11.796 3.525 -2.033 1.00 0.00 H new ATOM 239 N VAL A 201 -9.925 4.697 -4.389 1.00 0.00 N ATOM 240 CA VAL A 201 -9.513 5.972 -4.964 1.00 0.00 C ATOM 241 C VAL A 201 -10.044 7.143 -4.144 1.00 0.00 C ATOM 242 O VAL A 201 -11.238 7.440 -4.168 1.00 0.00 O ATOM 243 CB VAL A 201 -10.002 6.116 -6.417 1.00 0.00 C ATOM 244 CG1 VAL A 201 -9.391 7.347 -7.068 1.00 0.00 C ATOM 245 CG2 VAL A 201 -9.676 4.864 -7.217 1.00 0.00 C ATOM 0 H VAL A 201 -10.934 4.547 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 201 -8.423 5.987 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 201 -11.085 6.240 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 201 -9.749 7.431 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 201 -9.681 8.236 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 201 -8.305 7.257 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 201 -10.029 4.984 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 201 -8.598 4.705 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 201 -10.167 4.004 -6.763 1.00 0.00 H new ATOM 255 N LYS A 202 -9.147 7.804 -3.418 1.00 0.00 N ATOM 256 CA LYS A 202 -9.524 8.943 -2.589 1.00 0.00 C ATOM 257 C LYS A 202 -10.550 8.535 -1.538 1.00 0.00 C ATOM 258 O LYS A 202 -11.752 8.725 -1.722 1.00 0.00 O ATOM 259 CB LYS A 202 -10.087 10.068 -3.458 1.00 0.00 C ATOM 260 CG LYS A 202 -9.029 10.797 -4.271 1.00 0.00 C ATOM 261 CD LYS A 202 -9.375 12.267 -4.447 1.00 0.00 C ATOM 262 CE LYS A 202 -9.043 12.757 -5.848 1.00 0.00 C ATOM 263 NZ LYS A 202 -10.238 13.314 -6.539 1.00 0.00 N ATOM 0 H LYS A 202 -8.155 7.570 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 202 -8.630 9.300 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -10.833 9.653 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -10.601 10.786 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -8.062 10.707 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -8.932 10.326 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -10.437 12.417 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -8.828 12.860 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -8.268 13.521 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -8.636 11.933 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -9.970 13.637 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -10.969 12.578 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -10.612 14.117 -5.994 1.00 0.00 H new ATOM 277 N SER A 203 -10.066 7.972 -0.435 1.00 0.00 N ATOM 278 CA SER A 203 -10.941 7.536 0.647 1.00 0.00 C ATOM 279 C SER A 203 -11.261 8.692 1.590 1.00 0.00 C ATOM 280 O SER A 203 -10.912 9.841 1.319 1.00 0.00 O ATOM 281 CB SER A 203 -10.290 6.392 1.428 1.00 0.00 C ATOM 282 OG SER A 203 -9.326 6.883 2.343 1.00 0.00 O ATOM 0 H SER A 203 -9.073 7.807 -0.267 1.00 0.00 H new ATOM 0 HA SER A 203 -11.873 7.183 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 203 -11.056 5.833 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 203 -9.817 5.697 0.734 1.00 0.00 H new ATOM 0 HG SER A 203 -8.926 6.133 2.831 1.00 0.00 H new ATOM 288 N GLY A 204 -11.926 8.378 2.697 1.00 0.00 N ATOM 289 CA GLY A 204 -12.282 9.399 3.665 1.00 0.00 C ATOM 290 C GLY A 204 -11.812 9.058 5.065 1.00 0.00 C ATOM 291 O GLY A 204 -10.901 9.695 5.593 1.00 0.00 O ATOM 0 H GLY A 204 -12.225 7.434 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -11.847 10.351 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.364 9.529 3.670 1.00 0.00 H new ATOM 295 N ASP A 205 -12.434 8.049 5.666 1.00 0.00 N ATOM 296 CA ASP A 205 -12.074 7.623 7.013 1.00 0.00 C ATOM 297 C ASP A 205 -10.845 6.720 6.986 1.00 0.00 C ATOM 298 O ASP A 205 -10.954 5.515 6.761 1.00 0.00 O ATOM 299 CB ASP A 205 -13.246 6.892 7.671 1.00 0.00 C ATOM 300 CG ASP A 205 -14.126 7.822 8.482 1.00 0.00 C ATOM 301 OD1 ASP A 205 -15.002 8.482 7.885 1.00 0.00 O ATOM 302 OD2 ASP A 205 -13.938 7.891 9.715 1.00 0.00 O ATOM 0 H ASP A 205 -13.190 7.511 5.241 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.837 8.512 7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -13.847 6.408 6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -12.862 6.104 8.318 1.00 0.00 H new ATOM 307 N LYS A 206 -9.677 7.310 7.218 1.00 0.00 N ATOM 308 CA LYS A 206 -8.428 6.558 7.218 1.00 0.00 C ATOM 309 C LYS A 206 -8.370 5.602 8.406 1.00 0.00 C ATOM 310 O LYS A 206 -7.967 4.437 8.208 1.00 0.00 O ATOM 311 CB LYS A 206 -7.233 7.513 7.257 1.00 0.00 C ATOM 312 CG LYS A 206 -6.082 7.085 6.361 1.00 0.00 C ATOM 313 CD LYS A 206 -5.366 8.285 5.763 1.00 0.00 C ATOM 314 CE LYS A 206 -4.657 7.922 4.467 1.00 0.00 C ATOM 315 NZ LYS A 206 -3.361 8.640 4.321 1.00 0.00 N ATOM 316 OXT LYS A 206 -8.729 6.027 9.524 1.00 0.00 O ATOM 0 H LYS A 206 -9.570 8.306 7.408 1.00 0.00 H new ATOM 0 HA LYS A 206 -8.385 5.972 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 206 -7.564 8.508 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 206 -6.874 7.591 8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 206 -5.375 6.487 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 206 -6.460 6.449 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 206 -6.085 9.082 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 206 -4.641 8.672 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 206 -4.481 6.847 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 206 -5.302 8.162 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 206 -2.910 8.364 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 206 -3.531 9.666 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 206 -2.735 8.392 5.114 1.00 0.00 H new TER 330 LYS A 206 ATOM 331 N SER B 7 12.096 5.036 24.273 1.00 0.00 N ATOM 332 CA SER B 7 10.650 5.215 24.567 1.00 0.00 C ATOM 333 C SER B 7 9.812 5.119 23.297 1.00 0.00 C ATOM 334 O SER B 7 8.898 4.300 23.205 1.00 0.00 O ATOM 335 CB SER B 7 10.452 6.581 25.228 1.00 0.00 C ATOM 336 OG SER B 7 9.303 6.586 26.055 1.00 0.00 O ATOM 0 HA SER B 7 10.321 4.421 25.237 1.00 0.00 H new ATOM 0 HB2 SER B 7 11.331 6.832 25.821 1.00 0.00 H new ATOM 0 HB3 SER B 7 10.355 7.349 24.461 1.00 0.00 H new ATOM 0 HG SER B 7 9.200 7.469 26.467 1.00 0.00 H new ATOM 344 N HIS B 8 10.130 5.962 22.319 1.00 0.00 N ATOM 345 CA HIS B 8 9.406 5.973 21.053 1.00 0.00 C ATOM 346 C HIS B 8 10.226 5.299 19.954 1.00 0.00 C ATOM 347 O HIS B 8 11.456 5.370 19.954 1.00 0.00 O ATOM 348 CB HIS B 8 9.066 7.409 20.649 1.00 0.00 C ATOM 349 CG HIS B 8 7.598 7.704 20.669 1.00 0.00 C ATOM 350 ND1 HIS B 8 6.804 7.646 19.543 1.00 0.00 N ATOM 351 CD2 HIS B 8 6.779 8.062 21.687 1.00 0.00 C ATOM 352 CE1 HIS B 8 5.561 7.957 19.868 1.00 0.00 C ATOM 353 NE2 HIS B 8 5.520 8.212 21.163 1.00 0.00 N ATOM 0 H HIS B 8 10.884 6.646 22.379 1.00 0.00 H new ATOM 0 HA HIS B 8 8.480 5.413 21.185 1.00 0.00 H new ATOM 0 HB2 HIS B 8 9.576 8.098 21.322 1.00 0.00 H new ATOM 0 HB3 HIS B 8 9.453 7.597 19.647 1.00 0.00 H new ATOM 0 HD2 HIS B 8 7.064 8.203 22.719 1.00 0.00 H new ATOM 0 HE1 HIS B 8 4.722 7.996 19.190 1.00 0.00 H new ATOM 0 HE2 HIS B 8 4.687 8.478 21.689 1.00 0.00 H new ATOM 362 N PRO B 9 9.554 4.635 18.998 1.00 0.00 N ATOM 363 CA PRO B 9 10.226 3.950 17.892 1.00 0.00 C ATOM 364 C PRO B 9 10.794 4.926 16.867 1.00 0.00 C ATOM 365 O PRO B 9 10.122 5.873 16.459 1.00 0.00 O ATOM 366 CB PRO B 9 9.112 3.108 17.270 1.00 0.00 C ATOM 367 CG PRO B 9 7.861 3.852 17.582 1.00 0.00 C ATOM 368 CD PRO B 9 8.085 4.501 18.921 1.00 0.00 C ATOM 0 HA PRO B 9 11.081 3.366 18.232 1.00 0.00 H new ATOM 0 HB2 PRO B 9 9.251 2.999 16.194 1.00 0.00 H new ATOM 0 HB3 PRO B 9 9.092 2.103 17.692 1.00 0.00 H new ATOM 0 HG2 PRO B 9 7.651 4.599 16.817 1.00 0.00 H new ATOM 0 HG3 PRO B 9 7.005 3.179 17.614 1.00 0.00 H new ATOM 0 HD2 PRO B 9 7.590 5.470 18.985 1.00 0.00 H new ATOM 0 HD3 PRO B 9 7.695 3.889 19.734 1.00 0.00 H new ATOM 376 N GLU B 10 12.036 4.690 16.455 1.00 0.00 N ATOM 377 CA GLU B 10 12.696 5.547 15.477 1.00 0.00 C ATOM 378 C GLU B 10 12.453 5.049 14.053 1.00 0.00 C ATOM 379 O GLU B 10 13.355 5.076 13.215 1.00 0.00 O ATOM 380 CB GLU B 10 14.198 5.614 15.759 1.00 0.00 C ATOM 381 CG GLU B 10 14.580 6.683 16.769 1.00 0.00 C ATOM 382 CD GLU B 10 15.980 6.492 17.320 1.00 0.00 C ATOM 383 OE1 GLU B 10 16.920 6.336 16.513 1.00 0.00 O ATOM 384 OE2 GLU B 10 16.136 6.499 18.560 1.00 0.00 O ATOM 0 H GLU B 10 12.606 3.911 16.784 1.00 0.00 H new ATOM 0 HA GLU B 10 12.270 6.547 15.565 1.00 0.00 H new ATOM 0 HB2 GLU B 10 14.534 4.644 16.125 1.00 0.00 H new ATOM 0 HB3 GLU B 10 14.727 5.803 14.825 1.00 0.00 H new ATOM 0 HG2 GLU B 10 14.510 7.664 16.299 1.00 0.00 H new ATOM 0 HG3 GLU B 10 13.865 6.672 17.592 1.00 0.00 H new ATOM 391 N ASP B 11 11.232 4.597 13.786 1.00 0.00 N ATOM 392 CA ASP B 11 10.876 4.096 12.463 1.00 0.00 C ATOM 393 C ASP B 11 9.374 4.214 12.226 1.00 0.00 C ATOM 394 O ASP B 11 8.585 4.214 13.170 1.00 0.00 O ATOM 395 CB ASP B 11 11.315 2.638 12.311 1.00 0.00 C ATOM 396 CG ASP B 11 10.766 1.751 13.411 1.00 0.00 C ATOM 397 OD1 ASP B 11 9.596 1.946 13.803 1.00 0.00 O ATOM 398 OD2 ASP B 11 11.505 0.860 13.880 1.00 0.00 O ATOM 0 H ASP B 11 10.473 4.567 14.467 1.00 0.00 H new ATOM 0 HA ASP B 11 11.393 4.702 11.720 1.00 0.00 H new ATOM 0 HB2 ASP B 11 10.983 2.260 11.344 1.00 0.00 H new ATOM 0 HB3 ASP B 11 12.404 2.587 12.316 1.00 0.00 H new ATOM 403 N ASP B 12 8.986 4.315 10.959 1.00 0.00 N ATOM 404 CA ASP B 12 7.578 4.434 10.598 1.00 0.00 C ATOM 405 C ASP B 12 7.379 4.210 9.101 1.00 0.00 C ATOM 406 O ASP B 12 6.936 5.107 8.383 1.00 0.00 O ATOM 407 CB ASP B 12 7.043 5.810 10.999 1.00 0.00 C ATOM 408 CG ASP B 12 6.471 5.822 12.403 1.00 0.00 C ATOM 409 OD1 ASP B 12 5.411 5.199 12.618 1.00 0.00 O ATOM 410 OD2 ASP B 12 7.084 6.456 13.288 1.00 0.00 O ATOM 0 H ASP B 12 9.627 4.317 10.165 1.00 0.00 H new ATOM 0 HA ASP B 12 7.023 3.666 11.137 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.847 6.543 10.931 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.271 6.117 10.293 1.00 0.00 H new ATOM 415 N TRP B 13 7.714 3.007 8.639 1.00 0.00 N ATOM 416 CA TRP B 13 7.580 2.652 7.228 1.00 0.00 C ATOM 417 C TRP B 13 8.090 3.769 6.324 1.00 0.00 C ATOM 418 O TRP B 13 7.312 4.583 5.830 1.00 0.00 O ATOM 419 CB TRP B 13 6.126 2.327 6.883 1.00 0.00 C ATOM 420 CG TRP B 13 5.984 1.117 6.010 1.00 0.00 C ATOM 421 CD1 TRP B 13 4.995 0.181 6.065 1.00 0.00 C ATOM 422 CD2 TRP B 13 6.861 0.712 4.955 1.00 0.00 C ATOM 423 NE1 TRP B 13 5.204 -0.784 5.108 1.00 0.00 N ATOM 424 CE2 TRP B 13 6.345 -0.479 4.414 1.00 0.00 C ATOM 425 CE3 TRP B 13 8.033 1.241 4.416 1.00 0.00 C ATOM 426 CZ2 TRP B 13 6.965 -1.146 3.358 1.00 0.00 C ATOM 427 CZ3 TRP B 13 8.647 0.580 3.371 1.00 0.00 C ATOM 428 CH2 TRP B 13 8.112 -0.603 2.852 1.00 0.00 C ATOM 0 H TRP B 13 8.082 2.258 9.225 1.00 0.00 H new ATOM 0 HA TRP B 13 8.190 1.765 7.057 1.00 0.00 H new ATOM 0 HB2 TRP B 13 5.567 2.170 7.805 1.00 0.00 H new ATOM 0 HB3 TRP B 13 5.678 3.184 6.381 1.00 0.00 H new ATOM 0 HD1 TRP B 13 4.168 0.195 6.759 1.00 0.00 H new ATOM 0 HE1 TRP B 13 4.607 -1.594 4.942 1.00 0.00 H new ATOM 0 HE3 TRP B 13 8.454 2.154 4.810 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 6.553 -2.059 2.955 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 9.555 0.983 2.948 1.00 0.00 H new ATOM 0 HH2 TRP B 13 8.616 -1.098 2.035 1.00 0.00 H new ATOM 439 N LEU B 14 9.404 3.775 6.097 1.00 0.00 N ATOM 440 CA LEU B 14 10.059 4.744 5.244 1.00 0.00 C ATOM 441 C LEU B 14 9.311 6.070 5.200 1.00 0.00 C ATOM 442 O LEU B 14 9.083 6.640 4.133 1.00 0.00 O ATOM 443 CB LEU B 14 10.189 4.150 3.859 1.00 0.00 C ATOM 444 CG LEU B 14 11.373 3.203 3.652 1.00 0.00 C ATOM 445 CD1 LEU B 14 11.398 2.131 4.732 1.00 0.00 C ATOM 446 CD2 LEU B 14 11.305 2.562 2.273 1.00 0.00 C ATOM 0 H LEU B 14 10.043 3.095 6.509 1.00 0.00 H new ATOM 0 HA LEU B 14 11.045 4.964 5.653 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.271 3.610 3.627 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.269 4.965 3.140 1.00 0.00 H new ATOM 0 HG LEU B 14 12.293 3.784 3.722 1.00 0.00 H new ATOM 0 HD11 LEU B 14 12.247 1.468 4.567 1.00 0.00 H new ATOM 0 HD12 LEU B 14 11.491 2.602 5.710 1.00 0.00 H new ATOM 0 HD13 LEU B 14 10.474 1.554 4.693 1.00 0.00 H new ATOM 0 HD21 LEU B 14 12.154 1.891 2.141 1.00 0.00 H new ATOM 0 HD22 LEU B 14 10.378 1.996 2.180 1.00 0.00 H new ATOM 0 HD23 LEU B 14 11.334 3.339 1.509 1.00 0.00 H new ATOM 458 N GLU B 15 8.934 6.544 6.379 1.00 0.00 N ATOM 459 CA GLU B 15 8.204 7.805 6.519 1.00 0.00 C ATOM 460 C GLU B 15 7.083 7.914 5.489 1.00 0.00 C ATOM 461 O GLU B 15 6.951 8.924 4.796 1.00 0.00 O ATOM 462 CB GLU B 15 9.159 8.995 6.390 1.00 0.00 C ATOM 463 CG GLU B 15 9.868 9.067 5.047 1.00 0.00 C ATOM 464 CD GLU B 15 10.625 10.367 4.858 1.00 0.00 C ATOM 465 OE1 GLU B 15 11.158 10.895 5.856 1.00 0.00 O ATOM 466 OE2 GLU B 15 10.685 10.857 3.711 1.00 0.00 O ATOM 0 H GLU B 15 9.122 6.072 7.263 1.00 0.00 H new ATOM 0 HA GLU B 15 7.754 7.820 7.511 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.599 9.917 6.545 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.905 8.938 7.182 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.562 8.231 4.961 1.00 0.00 H new ATOM 0 HG3 GLU B 15 9.136 8.957 4.247 1.00 0.00 H new ATOM 473 N ASN B 16 6.280 6.862 5.399 1.00 0.00 N ATOM 474 CA ASN B 16 5.167 6.812 4.465 1.00 0.00 C ATOM 475 C ASN B 16 4.388 5.509 4.630 1.00 0.00 C ATOM 476 O ASN B 16 4.309 4.696 3.707 1.00 0.00 O ATOM 477 CB ASN B 16 5.685 6.944 3.035 1.00 0.00 C ATOM 478 CG ASN B 16 6.537 5.764 2.607 1.00 0.00 C ATOM 479 OD1 ASN B 16 7.229 5.155 3.423 1.00 0.00 O ATOM 480 ND2 ASN B 16 6.492 5.435 1.322 1.00 0.00 N ATOM 0 H ASN B 16 6.383 6.023 5.970 1.00 0.00 H new ATOM 0 HA ASN B 16 4.493 7.642 4.676 1.00 0.00 H new ATOM 0 HB2 ASN B 16 4.839 7.041 2.355 1.00 0.00 H new ATOM 0 HB3 ASN B 16 6.270 7.859 2.949 1.00 0.00 H new ATOM 0 HD21 ASN B 16 7.045 4.650 0.977 1.00 0.00 H new ATOM 0 HD22 ASN B 16 5.905 5.967 0.680 1.00 0.00 H new ATOM 487 N ILE B 17 3.821 5.312 5.815 1.00 0.00 N ATOM 488 CA ILE B 17 3.058 4.103 6.105 1.00 0.00 C ATOM 489 C ILE B 17 1.665 4.161 5.491 1.00 0.00 C ATOM 490 O ILE B 17 1.081 5.236 5.350 1.00 0.00 O ATOM 491 CB ILE B 17 2.930 3.851 7.612 1.00 0.00 C ATOM 492 CG1 ILE B 17 4.148 4.420 8.354 1.00 0.00 C ATOM 493 CG2 ILE B 17 2.758 2.360 7.883 1.00 0.00 C ATOM 494 CD1 ILE B 17 4.483 3.718 9.654 1.00 0.00 C ATOM 0 H ILE B 17 3.875 5.973 6.590 1.00 0.00 H new ATOM 0 HA ILE B 17 3.615 3.279 5.658 1.00 0.00 H new ATOM 0 HB ILE B 17 2.044 4.364 7.985 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.015 4.368 7.695 1.00 0.00 H new ATOM 0 HG13 ILE B 17 3.969 5.475 8.562 1.00 0.00 H new ATOM 0 HG21 ILE B 17 2.668 2.193 8.956 1.00 0.00 H new ATOM 0 HG22 ILE B 17 1.858 2.001 7.383 1.00 0.00 H new ATOM 0 HG23 ILE B 17 3.625 1.819 7.503 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.356 4.188 10.107 1.00 0.00 H new ATOM 0 HD12 ILE B 17 3.636 3.792 10.336 1.00 0.00 H new ATOM 0 HD13 ILE B 17 4.698 2.668 9.456 1.00 0.00 H new ATOM 506 N ASP B 18 1.142 2.997 5.123 1.00 0.00 N ATOM 507 CA ASP B 18 -0.181 2.908 4.519 1.00 0.00 C ATOM 508 C ASP B 18 -0.689 1.470 4.534 1.00 0.00 C ATOM 509 O ASP B 18 -0.259 0.642 3.731 1.00 0.00 O ATOM 510 CB ASP B 18 -0.137 3.427 3.082 1.00 0.00 C ATOM 511 CG ASP B 18 -1.433 4.096 2.667 1.00 0.00 C ATOM 512 OD1 ASP B 18 -2.474 3.818 3.299 1.00 0.00 O ATOM 513 OD2 ASP B 18 -1.408 4.897 1.709 1.00 0.00 O ATOM 0 H ASP B 18 1.616 2.100 5.233 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.865 3.523 5.104 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.684 4.137 2.980 1.00 0.00 H new ATOM 0 HB3 ASP B 18 0.073 2.598 2.406 1.00 0.00 H new ATOM 518 N VAL B 19 -1.605 1.178 5.452 1.00 0.00 N ATOM 519 CA VAL B 19 -2.167 -0.161 5.567 1.00 0.00 C ATOM 520 C VAL B 19 -3.547 -0.238 4.924 1.00 0.00 C ATOM 521 O VAL B 19 -4.510 0.345 5.421 1.00 0.00 O ATOM 522 CB VAL B 19 -2.263 -0.608 7.040 1.00 0.00 C ATOM 523 CG1 VAL B 19 -2.904 -1.986 7.150 1.00 0.00 C ATOM 524 CG2 VAL B 19 -0.886 -0.606 7.687 1.00 0.00 C ATOM 0 H VAL B 19 -1.973 1.850 6.125 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.491 -0.834 5.039 1.00 0.00 H new ATOM 0 HB VAL B 19 -2.897 0.103 7.570 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -2.960 -2.278 8.199 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -3.908 -1.955 6.728 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -2.303 -2.712 6.603 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.972 -0.924 8.726 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -0.231 -1.292 7.150 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.467 0.400 7.649 1.00 0.00 H new ATOM 534 N CYS B 20 -3.632 -0.966 3.817 1.00 0.00 N ATOM 535 CA CYS B 20 -4.890 -1.131 3.099 1.00 0.00 C ATOM 536 C CYS B 20 -5.870 -1.964 3.919 1.00 0.00 C ATOM 537 O CYS B 20 -5.866 -3.192 3.849 1.00 0.00 O ATOM 538 CB CYS B 20 -4.631 -1.791 1.749 1.00 0.00 C ATOM 539 SG CYS B 20 -6.123 -2.043 0.726 1.00 0.00 S ATOM 0 H CYS B 20 -2.841 -1.453 3.396 1.00 0.00 H new ATOM 0 HA CYS B 20 -5.333 -0.149 2.935 1.00 0.00 H new ATOM 0 HB2 CYS B 20 -3.923 -1.179 1.190 1.00 0.00 H new ATOM 0 HB3 CYS B 20 -4.155 -2.757 1.917 1.00 0.00 H new ATOM 544 N GLU B 21 -6.705 -1.285 4.700 1.00 0.00 N ATOM 545 CA GLU B 21 -7.691 -1.955 5.546 1.00 0.00 C ATOM 546 C GLU B 21 -8.521 -2.959 4.750 1.00 0.00 C ATOM 547 O GLU B 21 -9.057 -3.915 5.312 1.00 0.00 O ATOM 548 CB GLU B 21 -8.611 -0.925 6.201 1.00 0.00 C ATOM 549 CG GLU B 21 -9.110 0.143 5.240 1.00 0.00 C ATOM 550 CD GLU B 21 -8.419 1.477 5.441 1.00 0.00 C ATOM 551 OE1 GLU B 21 -8.745 2.172 6.426 1.00 0.00 O ATOM 552 OE2 GLU B 21 -7.552 1.828 4.614 1.00 0.00 O ATOM 0 H GLU B 21 -6.719 -0.267 4.765 1.00 0.00 H new ATOM 0 HA GLU B 21 -7.149 -2.501 6.318 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.468 -1.440 6.636 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.078 -0.444 7.021 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.952 -0.193 4.215 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.184 0.271 5.371 1.00 0.00 H new ATOM 559 N ASN B 22 -8.626 -2.740 3.444 1.00 0.00 N ATOM 560 CA ASN B 22 -9.395 -3.628 2.580 1.00 0.00 C ATOM 561 C ASN B 22 -8.913 -5.070 2.709 1.00 0.00 C ATOM 562 O ASN B 22 -9.709 -6.008 2.651 1.00 0.00 O ATOM 563 CB ASN B 22 -9.295 -3.168 1.124 1.00 0.00 C ATOM 564 CG ASN B 22 -10.656 -2.970 0.485 1.00 0.00 C ATOM 565 OD1 ASN B 22 -11.001 -3.640 -0.489 1.00 0.00 O ATOM 566 ND2 ASN B 22 -11.438 -2.046 1.031 1.00 0.00 N ATOM 0 H ASN B 22 -8.189 -1.956 2.961 1.00 0.00 H new ATOM 0 HA ASN B 22 -10.438 -3.587 2.895 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -8.736 -2.233 1.079 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.731 -3.904 0.551 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -12.365 -1.869 0.644 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -11.112 -1.514 1.838 1.00 0.00 H new ATOM 573 N CYS B 23 -7.605 -5.243 2.881 1.00 0.00 N ATOM 574 CA CYS B 23 -7.024 -6.576 3.013 1.00 0.00 C ATOM 575 C CYS B 23 -6.025 -6.654 4.171 1.00 0.00 C ATOM 576 O CYS B 23 -5.446 -7.712 4.421 1.00 0.00 O ATOM 577 CB CYS B 23 -6.336 -6.982 1.708 1.00 0.00 C ATOM 578 SG CYS B 23 -5.182 -5.732 1.051 1.00 0.00 S ATOM 0 H CYS B 23 -6.930 -4.480 2.932 1.00 0.00 H new ATOM 0 HA CYS B 23 -7.839 -7.267 3.230 1.00 0.00 H new ATOM 0 HB2 CYS B 23 -5.792 -7.912 1.871 1.00 0.00 H new ATOM 0 HB3 CYS B 23 -7.099 -7.187 0.957 1.00 0.00 H new ATOM 583 N HIS B 24 -5.818 -5.534 4.871 1.00 0.00 N ATOM 584 CA HIS B 24 -4.880 -5.481 5.999 1.00 0.00 C ATOM 585 C HIS B 24 -3.433 -5.338 5.523 1.00 0.00 C ATOM 586 O HIS B 24 -2.563 -4.905 6.277 1.00 0.00 O ATOM 587 CB HIS B 24 -5.020 -6.714 6.883 1.00 0.00 C ATOM 588 CG HIS B 24 -5.198 -6.393 8.335 1.00 0.00 C ATOM 589 ND1 HIS B 24 -5.860 -7.226 9.214 1.00 0.00 N ATOM 590 CD2 HIS B 24 -4.795 -5.325 9.063 1.00 0.00 C ATOM 591 CE1 HIS B 24 -5.857 -6.682 10.418 1.00 0.00 C ATOM 592 NE2 HIS B 24 -5.217 -5.530 10.354 1.00 0.00 N ATOM 0 H HIS B 24 -6.288 -4.650 4.676 1.00 0.00 H new ATOM 0 HA HIS B 24 -5.132 -4.598 6.586 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -5.873 -7.301 6.542 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -4.135 -7.339 6.763 1.00 0.00 H new ATOM 0 HD2 HIS B 24 -4.244 -4.471 8.697 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -6.303 -7.108 11.305 1.00 0.00 H new ATOM 0 HE2 HIS B 24 -5.061 -4.895 11.136 1.00 0.00 H new ATOM 601 N TYR B 25 -3.184 -5.702 4.268 1.00 0.00 N ATOM 602 CA TYR B 25 -1.860 -5.617 3.683 1.00 0.00 C ATOM 603 C TYR B 25 -1.436 -4.162 3.497 1.00 0.00 C ATOM 604 O TYR B 25 -2.271 -3.290 3.256 1.00 0.00 O ATOM 605 CB TYR B 25 -1.870 -6.340 2.349 1.00 0.00 C ATOM 606 CG TYR B 25 -2.563 -7.690 2.384 1.00 0.00 C ATOM 607 CD1 TYR B 25 -2.663 -8.412 3.568 1.00 0.00 C ATOM 608 CD2 TYR B 25 -3.118 -8.240 1.235 1.00 0.00 C ATOM 609 CE1 TYR B 25 -3.294 -9.642 3.604 1.00 0.00 C ATOM 610 CE2 TYR B 25 -3.751 -9.469 1.264 1.00 0.00 C ATOM 611 CZ TYR B 25 -3.835 -10.165 2.450 1.00 0.00 C ATOM 612 OH TYR B 25 -4.465 -11.388 2.482 1.00 0.00 O ATOM 0 H TYR B 25 -3.897 -6.063 3.634 1.00 0.00 H new ATOM 0 HA TYR B 25 -1.140 -6.086 4.353 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -2.363 -5.709 1.609 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.842 -6.479 2.015 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -2.241 -8.005 4.475 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -3.054 -7.698 0.303 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -3.362 -10.190 4.532 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -4.177 -9.881 0.361 1.00 0.00 H new ATOM 0 HH TYR B 25 -4.791 -11.611 1.585 1.00 0.00 H new ATOM 622 N PRO B 26 -0.128 -3.879 3.618 1.00 0.00 N ATOM 623 CA PRO B 26 0.402 -2.523 3.472 1.00 0.00 C ATOM 624 C PRO B 26 0.549 -2.096 2.015 1.00 0.00 C ATOM 625 O PRO B 26 1.462 -2.537 1.318 1.00 0.00 O ATOM 626 CB PRO B 26 1.773 -2.622 4.138 1.00 0.00 C ATOM 627 CG PRO B 26 2.196 -4.033 3.912 1.00 0.00 C ATOM 628 CD PRO B 26 0.936 -4.859 3.916 1.00 0.00 C ATOM 0 HA PRO B 26 -0.260 -1.777 3.912 1.00 0.00 H new ATOM 0 HB2 PRO B 26 2.480 -1.920 3.697 1.00 0.00 H new ATOM 0 HB3 PRO B 26 1.715 -2.390 5.202 1.00 0.00 H new ATOM 0 HG2 PRO B 26 2.723 -4.133 2.963 1.00 0.00 H new ATOM 0 HG3 PRO B 26 2.880 -4.364 4.694 1.00 0.00 H new ATOM 0 HD2 PRO B 26 0.973 -5.649 3.166 1.00 0.00 H new ATOM 0 HD3 PRO B 26 0.777 -5.342 4.880 1.00 0.00 H new ATOM 636 N ILE B 27 -0.346 -1.220 1.566 1.00 0.00 N ATOM 637 CA ILE B 27 -0.301 -0.723 0.196 1.00 0.00 C ATOM 638 C ILE B 27 0.915 0.178 -0.013 1.00 0.00 C ATOM 639 O ILE B 27 0.919 1.344 0.387 1.00 0.00 O ATOM 640 CB ILE B 27 -1.608 0.028 -0.178 1.00 0.00 C ATOM 641 CG1 ILE B 27 -2.599 -0.938 -0.820 1.00 0.00 C ATOM 642 CG2 ILE B 27 -1.341 1.204 -1.111 1.00 0.00 C ATOM 643 CD1 ILE B 27 -3.940 -0.311 -1.131 1.00 0.00 C ATOM 0 H ILE B 27 -1.108 -0.842 2.129 1.00 0.00 H new ATOM 0 HA ILE B 27 -0.211 -1.585 -0.465 1.00 0.00 H new ATOM 0 HB ILE B 27 -2.034 0.429 0.742 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -2.168 -1.329 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -2.750 -1.787 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -2.282 1.702 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -0.669 1.910 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -0.881 0.842 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -4.593 -1.056 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -4.393 0.055 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -3.801 0.520 -1.822 1.00 0.00 H new ATOM 655 N VAL B 28 1.948 -0.378 -0.637 1.00 0.00 N ATOM 656 CA VAL B 28 3.175 0.351 -0.903 1.00 0.00 C ATOM 657 C VAL B 28 3.365 0.432 -2.414 1.00 0.00 C ATOM 658 O VAL B 28 2.825 -0.372 -3.172 1.00 0.00 O ATOM 659 CB VAL B 28 4.416 -0.328 -0.322 1.00 0.00 C ATOM 660 CG1 VAL B 28 5.373 0.676 0.307 1.00 0.00 C ATOM 661 CG2 VAL B 28 4.065 -1.458 0.637 1.00 0.00 C ATOM 0 H VAL B 28 1.955 -1.342 -0.970 1.00 0.00 H new ATOM 0 HA VAL B 28 3.075 1.330 -0.434 1.00 0.00 H new ATOM 0 HB VAL B 28 4.940 -0.786 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL B 28 6.240 0.151 0.707 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.699 1.391 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.866 1.206 1.113 1.00 0.00 H new ATOM 0 HG21 VAL B 28 4.981 -1.907 1.021 1.00 0.00 H new ATOM 0 HG22 VAL B 28 3.479 -1.062 1.467 1.00 0.00 H new ATOM 0 HG23 VAL B 28 3.483 -2.215 0.110 1.00 0.00 H new ATOM 671 N PRO B 29 4.140 1.406 -2.846 1.00 0.00 N ATOM 672 CA PRO B 29 4.446 1.646 -4.240 1.00 0.00 C ATOM 673 C PRO B 29 5.685 0.883 -4.702 1.00 0.00 C ATOM 674 O PRO B 29 6.802 1.181 -4.279 1.00 0.00 O ATOM 675 CB PRO B 29 4.693 3.153 -4.265 1.00 0.00 C ATOM 676 CG PRO B 29 5.148 3.508 -2.877 1.00 0.00 C ATOM 677 CD PRO B 29 4.804 2.343 -1.975 1.00 0.00 C ATOM 0 HA PRO B 29 3.654 1.312 -4.910 1.00 0.00 H new ATOM 0 HB2 PRO B 29 5.449 3.415 -5.005 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.786 3.695 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO B 29 6.221 3.701 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO B 29 4.656 4.418 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO B 29 5.698 1.907 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO B 29 4.156 2.652 -1.155 1.00 0.00 H new ATOM 685 N LEU B 30 5.476 -0.105 -5.567 1.00 0.00 N ATOM 686 CA LEU B 30 6.562 -0.919 -6.083 1.00 0.00 C ATOM 687 C LEU B 30 7.701 -0.053 -6.616 1.00 0.00 C ATOM 688 O LEU B 30 7.484 1.079 -7.049 1.00 0.00 O ATOM 689 CB LEU B 30 6.050 -1.843 -7.190 1.00 0.00 C ATOM 690 CG LEU B 30 6.757 -3.200 -7.279 1.00 0.00 C ATOM 691 CD1 LEU B 30 5.811 -4.325 -6.889 1.00 0.00 C ATOM 692 CD2 LEU B 30 7.307 -3.426 -8.679 1.00 0.00 C ATOM 0 H LEU B 30 4.555 -0.359 -5.925 1.00 0.00 H new ATOM 0 HA LEU B 30 6.948 -1.520 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU B 30 4.985 -2.015 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU B 30 6.155 -1.332 -8.147 1.00 0.00 H new ATOM 0 HG LEU B 30 7.592 -3.197 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU B 30 6.332 -5.280 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU B 30 5.468 -4.173 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU B 30 4.954 -4.330 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.805 -4.394 -8.722 1.00 0.00 H new ATOM 0 HD22 LEU B 30 6.489 -3.406 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.022 -2.639 -8.921 1.00 0.00 H new ATOM 704 N ASP B 31 8.914 -0.596 -6.583 1.00 0.00 N ATOM 705 CA ASP B 31 10.086 0.125 -7.063 1.00 0.00 C ATOM 706 C ASP B 31 10.329 -0.158 -8.542 1.00 0.00 C ATOM 707 O ASP B 31 9.658 -0.998 -9.142 1.00 0.00 O ATOM 708 CB ASP B 31 11.321 -0.263 -6.248 1.00 0.00 C ATOM 709 CG ASP B 31 11.539 -1.763 -6.208 1.00 0.00 C ATOM 710 OD1 ASP B 31 10.970 -2.470 -7.066 1.00 0.00 O ATOM 711 OD2 ASP B 31 12.281 -2.231 -5.319 1.00 0.00 O ATOM 0 H ASP B 31 9.110 -1.532 -6.229 1.00 0.00 H new ATOM 0 HA ASP B 31 9.900 1.192 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.201 0.218 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP B 31 11.215 0.113 -5.231 1.00 0.00 H new ATOM 716 N GLY B 32 11.294 0.548 -9.124 1.00 0.00 N ATOM 717 CA GLY B 32 11.608 0.358 -10.528 1.00 0.00 C ATOM 718 C GLY B 32 11.363 1.606 -11.352 1.00 0.00 C ATOM 719 O GLY B 32 10.284 2.197 -11.291 1.00 0.00 O ATOM 0 H GLY B 32 11.864 1.248 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY B 32 12.652 0.061 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.005 -0.459 -10.924 1.00 0.00 H new ATOM 723 N LYS B 33 12.366 2.010 -12.124 1.00 0.00 N ATOM 724 CA LYS B 33 12.255 3.197 -12.963 1.00 0.00 C ATOM 725 C LYS B 33 11.382 2.921 -14.184 1.00 0.00 C ATOM 726 O LYS B 33 10.248 3.393 -14.268 1.00 0.00 O ATOM 727 CB LYS B 33 13.644 3.664 -13.407 1.00 0.00 C ATOM 728 CG LYS B 33 13.618 4.870 -14.332 1.00 0.00 C ATOM 729 CD LYS B 33 13.010 6.085 -13.649 1.00 0.00 C ATOM 730 CE LYS B 33 12.644 7.167 -14.653 1.00 0.00 C ATOM 731 NZ LYS B 33 11.258 7.671 -14.445 1.00 0.00 N ATOM 0 H LYS B 33 13.265 1.533 -12.186 1.00 0.00 H new ATOM 0 HA LYS B 33 11.785 3.985 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS B 33 14.235 3.908 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.150 2.841 -13.912 1.00 0.00 H new ATOM 0 HG2 LYS B 33 14.632 5.103 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS B 33 13.045 4.630 -15.228 1.00 0.00 H new ATOM 0 HD2 LYS B 33 12.120 5.785 -13.096 1.00 0.00 H new ATOM 0 HD3 LYS B 33 13.716 6.486 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS B 33 13.348 7.995 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS B 33 12.739 6.771 -15.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 11.047 8.407 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 10.584 6.886 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 11.174 8.072 -13.489 1.00 0.00 H new ATOM 745 N GLY B 34 11.917 2.153 -15.127 1.00 0.00 N ATOM 746 CA GLY B 34 11.174 1.829 -16.329 1.00 0.00 C ATOM 747 C GLY B 34 9.981 0.935 -16.051 1.00 0.00 C ATOM 748 O GLY B 34 8.842 1.402 -16.017 1.00 0.00 O ATOM 0 H GLY B 34 12.852 1.749 -15.080 1.00 0.00 H new ATOM 0 HA2 GLY B 34 10.832 2.750 -16.800 1.00 0.00 H new ATOM 0 HA3 GLY B 34 11.836 1.335 -17.040 1.00 0.00 H new ATOM 752 N THR B 35 10.242 -0.353 -15.852 1.00 0.00 N ATOM 753 CA THR B 35 9.180 -1.313 -15.575 1.00 0.00 C ATOM 754 C THR B 35 9.757 -2.629 -15.061 1.00 0.00 C ATOM 755 O THR B 35 9.784 -2.821 -13.828 1.00 0.00 O ATOM 756 CB THR B 35 8.350 -1.565 -16.834 1.00 0.00 C ATOM 757 OG1 THR B 35 7.503 -2.687 -16.662 1.00 0.00 O ATOM 758 CG2 THR B 35 9.192 -1.812 -18.067 1.00 0.00 C ATOM 759 OXT THR B 35 10.176 -3.457 -15.898 1.00 0.00 O ATOM 0 H THR B 35 11.179 -0.756 -15.877 1.00 0.00 H new ATOM 0 HA THR B 35 8.537 -0.892 -14.802 1.00 0.00 H new ATOM 0 HB THR B 35 7.772 -0.653 -16.984 1.00 0.00 H new ATOM 0 HG1 THR B 35 6.980 -2.830 -17.478 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.541 -1.984 -18.924 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.821 -0.943 -18.258 1.00 0.00 H new ATOM 0 HG23 THR B 35 9.821 -2.688 -17.908 1.00 0.00 H new TER 767 THR B 35 HETATM 768 ZN ZN A 207 -5.604 -3.998 -0.477 1.00 0.00 ZN