USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 THR OG1 : rot 177:sc= -3.82! USER MOD Set 1.2: B 25 SER OG : rot 180:sc= -0.0413 USER MOD Set 2.1: A 23 THR OG1 : rot 113:sc= -4.42! USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0.16 USER MOD Set 2.3: A 26 GLN : amide:sc= -1.11 K(o=-5.4,f=-4.3) USER MOD Single : A 6 THR OG1 : rot 32:sc= 0.0637 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= -3.67! C(o=-3.7!,f=-17!) USER MOD Single : A 29 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= -0.0137 (180deg=-0.178) USER MOD Single : A 37 THR OG1 : rot -9:sc= 0.384 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -18! C(o=-18!,f=-20!) USER MOD Single : B 8 THR OG1 : rot 180:sc=-0.00545 USER MOD Single : B 15 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.083) USER MOD Single : B 16 ASN : amide:sc= -8.35! C(o=-8.4!,f=-4!) USER MOD Single : B 26 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.047) USER MOD Single : B 29 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : B 30 LYS NZ :NH3+ 154:sc= -7.27! (180deg=-8.58!) USER MOD Single : B 37 THR OG1 : rot -82:sc= 0.654 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 11.136 -5.653 0.938 1.00 0.00 N ATOM 75 CA THR A 6 10.825 -4.701 1.996 1.00 0.00 C ATOM 76 C THR A 6 9.587 -3.881 1.648 1.00 0.00 C ATOM 77 O THR A 6 9.018 -4.030 0.567 1.00 0.00 O ATOM 78 CB THR A 6 12.005 -3.746 2.255 1.00 0.00 C ATOM 79 OG1 THR A 6 13.171 -4.494 2.620 1.00 0.00 O ATOM 80 CG2 THR A 6 11.668 -2.756 3.360 1.00 0.00 C ATOM 0 HA THR A 6 10.632 -5.280 2.899 1.00 0.00 H new ATOM 0 HB THR A 6 12.201 -3.191 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.158 -5.363 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.517 -2.092 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.798 -2.167 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.447 -3.298 4.279 1.00 0.00 H new ATOM 88 N CYS A 7 9.169 -3.021 2.573 1.00 0.00 N ATOM 89 CA CYS A 7 7.984 -2.196 2.366 1.00 0.00 C ATOM 90 C CYS A 7 8.311 -0.714 2.518 1.00 0.00 C ATOM 91 O CYS A 7 7.533 0.147 2.106 1.00 0.00 O ATOM 92 CB CYS A 7 6.882 -2.592 3.350 1.00 0.00 C ATOM 93 SG CYS A 7 6.324 -4.319 3.183 1.00 0.00 S ATOM 0 H CYS A 7 9.632 -2.878 3.470 1.00 0.00 H new ATOM 0 HA CYS A 7 7.632 -2.365 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.243 -2.434 4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.028 -1.930 3.209 1.00 0.00 H new ATOM 98 N THR A 8 9.464 -0.419 3.110 1.00 0.00 N ATOM 99 CA THR A 8 9.885 0.962 3.311 1.00 0.00 C ATOM 100 C THR A 8 10.269 1.617 1.988 1.00 0.00 C ATOM 101 O THR A 8 11.441 1.902 1.742 1.00 0.00 O ATOM 102 CB THR A 8 11.079 1.055 4.280 1.00 0.00 C ATOM 103 OG1 THR A 8 11.442 2.425 4.481 1.00 0.00 O ATOM 104 CG2 THR A 8 12.274 0.285 3.739 1.00 0.00 C ATOM 0 H THR A 8 10.122 -1.116 3.458 1.00 0.00 H new ATOM 0 HA THR A 8 9.035 1.489 3.744 1.00 0.00 H new ATOM 0 HB THR A 8 10.781 0.615 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.201 2.475 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.105 0.364 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.004 -0.764 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.570 0.702 2.776 1.00 0.00 H new ATOM 112 N VAL A 9 9.273 1.851 1.139 1.00 0.00 N ATOM 113 CA VAL A 9 9.507 2.467 -0.161 1.00 0.00 C ATOM 114 C VAL A 9 8.839 3.835 -0.250 1.00 0.00 C ATOM 115 O VAL A 9 8.075 4.222 0.634 1.00 0.00 O ATOM 116 CB VAL A 9 8.982 1.580 -1.306 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.240 2.236 -2.653 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.618 0.199 -1.245 1.00 0.00 C ATOM 0 H VAL A 9 8.297 1.623 1.329 1.00 0.00 H new ATOM 0 HA VAL A 9 10.586 2.583 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 9 7.905 1.464 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.862 1.594 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.732 3.199 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.312 2.385 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.236 -0.414 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.700 0.292 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.375 -0.272 -0.293 1.00 0.00 H new ATOM 128 N ALA A 10 9.127 4.559 -1.327 1.00 0.00 N ATOM 129 CA ALA A 10 8.538 5.876 -1.541 1.00 0.00 C ATOM 130 C ALA A 10 7.191 5.763 -2.245 1.00 0.00 C ATOM 131 O ALA A 10 7.100 5.221 -3.347 1.00 0.00 O ATOM 132 CB ALA A 10 9.485 6.753 -2.346 1.00 0.00 C ATOM 0 H ALA A 10 9.764 4.256 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 10 8.374 6.338 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.033 7.733 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.424 6.867 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.678 6.288 -3.313 1.00 0.00 H new ATOM 138 N PRO A 11 6.125 6.271 -1.609 1.00 0.00 N ATOM 139 CA PRO A 11 4.770 6.216 -2.162 1.00 0.00 C ATOM 140 C PRO A 11 4.727 6.602 -3.636 1.00 0.00 C ATOM 141 O PRO A 11 4.309 5.812 -4.483 1.00 0.00 O ATOM 142 CB PRO A 11 4.012 7.237 -1.316 1.00 0.00 C ATOM 143 CG PRO A 11 4.710 7.225 -0.001 1.00 0.00 C ATOM 144 CD PRO A 11 6.160 6.939 -0.294 1.00 0.00 C ATOM 0 HA PRO A 11 4.350 5.211 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.039 8.227 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.962 6.964 -1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.598 8.183 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.289 6.464 0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.750 7.855 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.604 6.299 0.469 1.00 0.00 H new ATOM 152 N ARG A 12 5.163 7.820 -3.936 1.00 0.00 N ATOM 153 CA ARG A 12 5.176 8.309 -5.310 1.00 0.00 C ATOM 154 C ARG A 12 5.763 7.264 -6.255 1.00 0.00 C ATOM 155 O ARG A 12 5.404 7.205 -7.430 1.00 0.00 O ATOM 156 CB ARG A 12 5.979 9.609 -5.403 1.00 0.00 C ATOM 157 CG ARG A 12 7.424 9.466 -4.954 1.00 0.00 C ATOM 158 CD ARG A 12 8.171 10.787 -5.055 1.00 0.00 C ATOM 159 NE ARG A 12 9.562 10.662 -4.629 1.00 0.00 N ATOM 160 CZ ARG A 12 10.379 11.699 -4.470 1.00 0.00 C ATOM 161 NH1 ARG A 12 9.941 12.931 -4.698 1.00 0.00 N ATOM 162 NH2 ARG A 12 11.631 11.506 -4.081 1.00 0.00 N ATOM 0 H ARG A 12 5.512 8.487 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 12 4.146 8.504 -5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.961 9.964 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.492 10.371 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.453 9.108 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.924 8.716 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.138 11.145 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.669 11.535 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 12 9.927 9.728 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.977 13.083 -4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.568 13.726 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.970 10.561 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.256 12.303 -3.960 1.00 0.00 H new ATOM 176 N GLU A 13 6.672 6.447 -5.733 1.00 0.00 N ATOM 177 CA GLU A 13 7.320 5.414 -6.534 1.00 0.00 C ATOM 178 C GLU A 13 6.760 4.034 -6.206 1.00 0.00 C ATOM 179 O GLU A 13 6.924 3.089 -6.978 1.00 0.00 O ATOM 180 CB GLU A 13 8.832 5.433 -6.299 1.00 0.00 C ATOM 181 CG GLU A 13 9.488 6.754 -6.664 1.00 0.00 C ATOM 182 CD GLU A 13 10.984 6.747 -6.423 1.00 0.00 C ATOM 183 OE1 GLU A 13 11.408 7.108 -5.304 1.00 0.00 O ATOM 184 OE2 GLU A 13 11.734 6.379 -7.352 1.00 0.00 O ATOM 0 H GLU A 13 6.977 6.480 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 13 7.118 5.625 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.031 5.216 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.292 4.635 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.294 6.974 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.033 7.555 -6.081 1.00 0.00 H new ATOM 191 N ARG A 14 6.097 3.923 -5.060 1.00 0.00 N ATOM 192 CA ARG A 14 5.507 2.656 -4.644 1.00 0.00 C ATOM 193 C ARG A 14 4.631 2.079 -5.750 1.00 0.00 C ATOM 194 O ARG A 14 3.900 2.809 -6.420 1.00 0.00 O ATOM 195 CB ARG A 14 4.681 2.842 -3.370 1.00 0.00 C ATOM 196 CG ARG A 14 5.495 3.329 -2.182 1.00 0.00 C ATOM 197 CD ARG A 14 4.634 3.469 -0.938 1.00 0.00 C ATOM 198 NE ARG A 14 5.403 3.940 0.210 1.00 0.00 N ATOM 199 CZ ARG A 14 4.867 4.207 1.396 1.00 0.00 C ATOM 200 NH1 ARG A 14 3.566 4.048 1.588 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.633 4.632 2.391 1.00 0.00 N ATOM 0 H ARG A 14 5.955 4.692 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 14 6.318 1.957 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.880 3.554 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.208 1.894 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.309 2.631 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.950 4.290 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.819 4.164 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.181 2.506 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 14 6.408 4.071 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.974 3.720 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.156 4.253 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.635 4.754 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.220 4.837 3.301 1.00 0.00 H new ATOM 215 N GLN A 15 4.711 0.766 -5.939 1.00 0.00 N ATOM 216 CA GLN A 15 3.930 0.096 -6.971 1.00 0.00 C ATOM 217 C GLN A 15 2.588 -0.370 -6.417 1.00 0.00 C ATOM 218 O GLN A 15 2.502 -1.415 -5.769 1.00 0.00 O ATOM 219 CB GLN A 15 4.706 -1.096 -7.535 1.00 0.00 C ATOM 220 CG GLN A 15 6.082 -0.729 -8.068 1.00 0.00 C ATOM 221 CD GLN A 15 6.031 0.370 -9.112 1.00 0.00 C ATOM 222 OE1 GLN A 15 6.977 1.143 -9.261 1.00 0.00 O ATOM 223 NE2 GLN A 15 4.922 0.446 -9.838 1.00 0.00 N ATOM 0 H GLN A 15 5.308 0.146 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 15 3.744 0.810 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.817 -1.849 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.124 -1.551 -8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.714 -0.409 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.548 -1.614 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.163 -0.216 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.829 1.167 -10.554 1.00 0.00 H new ATOM 232 N ASN A 16 1.547 0.416 -6.665 1.00 0.00 N ATOM 233 CA ASN A 16 0.214 0.102 -6.164 1.00 0.00 C ATOM 234 C ASN A 16 -0.091 -1.385 -6.313 1.00 0.00 C ATOM 235 O ASN A 16 0.293 -2.013 -7.299 1.00 0.00 O ATOM 236 CB ASN A 16 -0.840 0.929 -6.902 1.00 0.00 C ATOM 237 CG ASN A 16 -2.246 0.639 -6.414 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.548 -0.474 -5.979 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.114 1.640 -6.483 1.00 0.00 N ATOM 0 H ASN A 16 1.600 1.276 -7.210 1.00 0.00 H new ATOM 0 HA ASN A 16 0.185 0.353 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.624 1.989 -6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.779 0.721 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.075 1.504 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.820 2.545 -6.850 1.00 0.00 H new ATOM 246 N CYS A 17 -0.794 -1.937 -5.330 1.00 0.00 N ATOM 247 CA CYS A 17 -1.179 -3.342 -5.355 1.00 0.00 C ATOM 248 C CYS A 17 -2.545 -3.534 -4.709 1.00 0.00 C ATOM 249 O CYS A 17 -3.026 -4.658 -4.567 1.00 0.00 O ATOM 250 CB CYS A 17 -0.134 -4.194 -4.631 1.00 0.00 C ATOM 251 SG CYS A 17 -0.570 -5.959 -4.511 1.00 0.00 S ATOM 0 H CYS A 17 -1.110 -1.430 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.236 -3.662 -6.395 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.819 -4.100 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.011 -3.797 -3.626 1.00 0.00 H new ATOM 256 N GLY A 18 -3.161 -2.425 -4.316 1.00 0.00 N ATOM 257 CA GLY A 18 -4.462 -2.483 -3.679 1.00 0.00 C ATOM 258 C GLY A 18 -4.880 -1.148 -3.098 1.00 0.00 C ATOM 259 O GLY A 18 -4.162 -0.562 -2.287 1.00 0.00 O ATOM 0 H GLY A 18 -2.781 -1.485 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.206 -2.808 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.443 -3.231 -2.887 1.00 0.00 H new ATOM 263 N PHE A 19 -6.042 -0.663 -3.517 1.00 0.00 N ATOM 264 CA PHE A 19 -6.553 0.617 -3.042 1.00 0.00 C ATOM 265 C PHE A 19 -6.390 0.737 -1.531 1.00 0.00 C ATOM 266 O PHE A 19 -6.164 -0.257 -0.840 1.00 0.00 O ATOM 267 CB PHE A 19 -8.026 0.774 -3.423 1.00 0.00 C ATOM 268 CG PHE A 19 -8.912 -0.293 -2.845 1.00 0.00 C ATOM 269 CD1 PHE A 19 -9.105 -1.490 -3.514 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.551 -0.097 -1.631 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.919 -2.474 -2.984 1.00 0.00 C ATOM 272 CE2 PHE A 19 -10.367 -1.076 -1.096 1.00 0.00 C ATOM 273 CZ PHE A 19 -10.550 -2.266 -1.773 1.00 0.00 C ATOM 0 H PHE A 19 -6.649 -1.137 -4.186 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.977 1.411 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.378 1.749 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.116 0.760 -4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.614 -1.657 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.410 0.831 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.061 -3.403 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.861 -0.911 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.186 -3.033 -1.356 1.00 0.00 H new ATOM 283 N PRO A 20 -6.502 1.964 -1.001 1.00 0.00 N ATOM 284 CA PRO A 20 -6.364 2.222 0.436 1.00 0.00 C ATOM 285 C PRO A 20 -7.478 1.572 1.250 1.00 0.00 C ATOM 286 O PRO A 20 -7.227 0.971 2.294 1.00 0.00 O ATOM 287 CB PRO A 20 -6.447 3.749 0.539 1.00 0.00 C ATOM 288 CG PRO A 20 -7.162 4.178 -0.696 1.00 0.00 C ATOM 289 CD PRO A 20 -6.773 3.194 -1.762 1.00 0.00 C ATOM 0 HA PRO A 20 -5.439 1.807 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.987 4.056 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.454 4.196 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.241 4.180 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.879 5.192 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.573 3.050 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.895 3.526 -2.316 1.00 0.00 H new ATOM 297 N GLY A 21 -8.708 1.693 0.762 1.00 0.00 N ATOM 298 CA GLY A 21 -9.841 1.107 1.453 1.00 0.00 C ATOM 299 C GLY A 21 -9.622 -0.356 1.789 1.00 0.00 C ATOM 300 O GLY A 21 -10.364 -0.935 2.584 1.00 0.00 O ATOM 0 H GLY A 21 -8.940 2.187 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.030 1.663 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.732 1.205 0.832 1.00 0.00 H new ATOM 304 N VAL A 22 -8.602 -0.955 1.182 1.00 0.00 N ATOM 305 CA VAL A 22 -8.291 -2.359 1.418 1.00 0.00 C ATOM 306 C VAL A 22 -7.895 -2.599 2.871 1.00 0.00 C ATOM 307 O VAL A 22 -7.414 -1.693 3.551 1.00 0.00 O ATOM 308 CB VAL A 22 -7.148 -2.843 0.504 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.517 -2.651 -0.959 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.854 -2.116 0.837 1.00 0.00 C ATOM 0 H VAL A 22 -7.978 -0.489 0.523 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.195 -2.924 1.191 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.993 -3.908 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.698 -2.998 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.417 -3.223 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.701 -1.594 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.058 -2.471 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.992 -1.044 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.584 -2.311 1.875 1.00 0.00 H new ATOM 320 N THR A 23 -8.099 -3.827 3.340 1.00 0.00 N ATOM 321 CA THR A 23 -7.751 -4.188 4.708 1.00 0.00 C ATOM 322 C THR A 23 -6.440 -4.965 4.754 1.00 0.00 C ATOM 323 O THR A 23 -6.002 -5.522 3.748 1.00 0.00 O ATOM 324 CB THR A 23 -8.858 -5.035 5.364 1.00 0.00 C ATOM 325 OG1 THR A 23 -9.054 -6.245 4.624 1.00 0.00 O ATOM 326 CG2 THR A 23 -10.165 -4.258 5.431 1.00 0.00 C ATOM 0 H THR A 23 -8.503 -4.587 2.792 1.00 0.00 H new ATOM 0 HA THR A 23 -7.639 -3.256 5.262 1.00 0.00 H new ATOM 0 HB THR A 23 -8.545 -5.278 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.770 -7.010 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.932 -4.876 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.020 -3.352 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.480 -3.988 4.423 1.00 0.00 H new ATOM 334 N PRO A 24 -5.796 -5.008 5.930 1.00 0.00 N ATOM 335 CA PRO A 24 -4.527 -5.717 6.114 1.00 0.00 C ATOM 336 C PRO A 24 -4.587 -7.153 5.604 1.00 0.00 C ATOM 337 O PRO A 24 -3.608 -7.672 5.068 1.00 0.00 O ATOM 338 CB PRO A 24 -4.325 -5.695 7.630 1.00 0.00 C ATOM 339 CG PRO A 24 -5.078 -4.497 8.095 1.00 0.00 C ATOM 340 CD PRO A 24 -6.259 -4.366 7.174 1.00 0.00 C ATOM 0 HA PRO A 24 -3.715 -5.251 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.705 -6.606 8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.268 -5.623 7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.401 -4.617 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.453 -3.605 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.141 -4.863 7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.528 -3.322 7.011 1.00 0.00 H new ATOM 348 N SER A 25 -5.740 -7.790 5.776 1.00 0.00 N ATOM 349 CA SER A 25 -5.926 -9.168 5.337 1.00 0.00 C ATOM 350 C SER A 25 -6.098 -9.240 3.823 1.00 0.00 C ATOM 351 O SER A 25 -5.617 -10.170 3.177 1.00 0.00 O ATOM 352 CB SER A 25 -7.140 -9.787 6.031 1.00 0.00 C ATOM 353 OG SER A 25 -8.322 -9.065 5.732 1.00 0.00 O ATOM 0 H SER A 25 -6.560 -7.374 6.217 1.00 0.00 H new ATOM 0 HA SER A 25 -5.034 -9.732 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.254 -10.824 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.980 -9.798 7.109 1.00 0.00 H new ATOM 0 HG SER A 25 -9.084 -9.482 6.186 1.00 0.00 H new ATOM 359 N GLN A 26 -6.790 -8.252 3.264 1.00 0.00 N ATOM 360 CA GLN A 26 -7.028 -8.205 1.826 1.00 0.00 C ATOM 361 C GLN A 26 -5.728 -7.967 1.066 1.00 0.00 C ATOM 362 O GLN A 26 -5.360 -8.746 0.188 1.00 0.00 O ATOM 363 CB GLN A 26 -8.038 -7.106 1.491 1.00 0.00 C ATOM 364 CG GLN A 26 -9.396 -7.308 2.142 1.00 0.00 C ATOM 365 CD GLN A 26 -10.377 -6.204 1.800 1.00 0.00 C ATOM 366 OE1 GLN A 26 -11.263 -5.879 2.591 1.00 0.00 O ATOM 367 NE2 GLN A 26 -10.224 -5.622 0.617 1.00 0.00 N ATOM 0 H GLN A 26 -7.195 -7.474 3.785 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.435 -9.168 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.633 -6.144 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.166 -7.060 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.808 -8.266 1.825 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.272 -7.357 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.475 -5.924 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.855 -4.873 0.332 1.00 0.00 H new ATOM 376 N CYS A 27 -5.037 -6.887 1.411 1.00 0.00 N ATOM 377 CA CYS A 27 -3.775 -6.548 0.763 1.00 0.00 C ATOM 378 C CYS A 27 -2.786 -7.704 0.862 1.00 0.00 C ATOM 379 O CYS A 27 -2.235 -8.151 -0.145 1.00 0.00 O ATOM 380 CB CYS A 27 -3.175 -5.291 1.395 1.00 0.00 C ATOM 381 SG CYS A 27 -1.601 -4.760 0.644 1.00 0.00 S ATOM 0 H CYS A 27 -5.329 -6.231 2.135 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.976 -6.355 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.896 -4.477 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.015 -5.472 2.458 1.00 0.00 H new ATOM 386 N ALA A 28 -2.569 -8.188 2.080 1.00 0.00 N ATOM 387 CA ALA A 28 -1.657 -9.302 2.309 1.00 0.00 C ATOM 388 C ALA A 28 -2.155 -10.567 1.619 1.00 0.00 C ATOM 389 O ALA A 28 -1.378 -11.476 1.333 1.00 0.00 O ATOM 390 CB ALA A 28 -1.485 -9.545 3.801 1.00 0.00 C ATOM 0 H ALA A 28 -3.013 -7.826 2.924 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.689 -9.042 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.802 -10.380 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.078 -8.650 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.452 -9.780 4.245 1.00 0.00 H new ATOM 396 N ASN A 29 -3.456 -10.615 1.354 1.00 0.00 N ATOM 397 CA ASN A 29 -4.059 -11.766 0.693 1.00 0.00 C ATOM 398 C ASN A 29 -3.453 -11.976 -0.690 1.00 0.00 C ATOM 399 O ASN A 29 -3.554 -13.060 -1.265 1.00 0.00 O ATOM 400 CB ASN A 29 -5.573 -11.576 0.575 1.00 0.00 C ATOM 401 CG ASN A 29 -6.251 -12.749 -0.105 1.00 0.00 C ATOM 402 OD1 ASN A 29 -6.402 -12.770 -1.327 1.00 0.00 O ATOM 403 ND2 ASN A 29 -6.665 -13.733 0.684 1.00 0.00 N ATOM 0 H ASN A 29 -4.113 -9.870 1.587 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.856 -12.650 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.998 -11.441 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.780 -10.665 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.129 -14.548 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.519 -13.674 1.692 1.00 0.00 H new ATOM 410 N LYS A 30 -2.824 -10.933 -1.219 1.00 0.00 N ATOM 411 CA LYS A 30 -2.200 -11.004 -2.536 1.00 0.00 C ATOM 412 C LYS A 30 -0.688 -11.164 -2.413 1.00 0.00 C ATOM 413 O LYS A 30 -0.037 -11.710 -3.303 1.00 0.00 O ATOM 414 CB LYS A 30 -2.528 -9.750 -3.348 1.00 0.00 C ATOM 415 CG LYS A 30 -1.917 -9.752 -4.741 1.00 0.00 C ATOM 416 CD LYS A 30 -2.406 -10.933 -5.562 1.00 0.00 C ATOM 417 CE LYS A 30 -3.917 -10.913 -5.724 1.00 0.00 C ATOM 418 NZ LYS A 30 -4.386 -9.677 -6.411 1.00 0.00 N ATOM 0 H LYS A 30 -2.732 -10.028 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.599 -11.877 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.610 -9.656 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.174 -8.873 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.170 -8.823 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.830 -9.787 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.934 -10.915 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.103 -11.863 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.233 -11.787 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.388 -10.984 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.388 -9.782 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.276 -8.863 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.822 -9.522 -7.271 1.00 0.00 H new ATOM 432 N GLY A 31 -0.136 -10.685 -1.304 1.00 0.00 N ATOM 433 CA GLY A 31 1.294 -10.788 -1.082 1.00 0.00 C ATOM 434 C GLY A 31 2.008 -9.464 -1.269 1.00 0.00 C ATOM 435 O GLY A 31 3.146 -9.424 -1.737 1.00 0.00 O ATOM 0 H GLY A 31 -0.654 -10.227 -0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.476 -11.156 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.713 -11.523 -1.769 1.00 0.00 H new ATOM 439 N CYS A 32 1.339 -8.376 -0.899 1.00 0.00 N ATOM 440 CA CYS A 32 1.920 -7.044 -1.020 1.00 0.00 C ATOM 441 C CYS A 32 1.995 -6.354 0.338 1.00 0.00 C ATOM 442 O CYS A 32 1.530 -6.888 1.345 1.00 0.00 O ATOM 443 CB CYS A 32 1.100 -6.191 -1.990 1.00 0.00 C ATOM 444 SG CYS A 32 1.085 -6.814 -3.702 1.00 0.00 S ATOM 0 H CYS A 32 0.395 -8.391 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 32 2.933 -7.154 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.074 -6.133 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.497 -5.176 -1.988 1.00 0.00 H new ATOM 449 N CYS A 33 2.582 -5.163 0.355 1.00 0.00 N ATOM 450 CA CYS A 33 2.713 -4.389 1.583 1.00 0.00 C ATOM 451 C CYS A 33 1.465 -3.551 1.835 1.00 0.00 C ATOM 452 O CYS A 33 0.732 -3.216 0.905 1.00 0.00 O ATOM 453 CB CYS A 33 3.942 -3.484 1.511 1.00 0.00 C ATOM 454 SG CYS A 33 5.517 -4.381 1.323 1.00 0.00 S ATOM 0 H CYS A 33 2.976 -4.711 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 33 2.832 -5.088 2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.825 -2.797 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.987 -2.878 2.416 1.00 0.00 H new ATOM 459 N PHE A 34 1.228 -3.217 3.099 1.00 0.00 N ATOM 460 CA PHE A 34 0.067 -2.421 3.472 1.00 0.00 C ATOM 461 C PHE A 34 0.453 -1.330 4.467 1.00 0.00 C ATOM 462 O PHE A 34 0.738 -1.611 5.631 1.00 0.00 O ATOM 463 CB PHE A 34 -1.019 -3.313 4.076 1.00 0.00 C ATOM 464 CG PHE A 34 -2.277 -2.572 4.430 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.326 -1.757 5.549 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.410 -2.690 3.642 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.482 -1.074 5.876 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.569 -2.010 3.963 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.605 -1.200 5.081 1.00 0.00 C ATOM 0 H PHE A 34 1.825 -3.486 3.881 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.321 -1.948 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.261 -4.106 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.626 -3.794 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.451 -1.654 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.387 -3.321 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.508 -0.443 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.446 -2.112 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.509 -0.666 5.333 1.00 0.00 H new ATOM 479 N ASP A 35 0.460 -0.085 4.001 1.00 0.00 N ATOM 480 CA ASP A 35 0.816 1.046 4.850 1.00 0.00 C ATOM 481 C ASP A 35 -0.281 2.105 4.835 1.00 0.00 C ATOM 482 O ASP A 35 -0.410 2.866 3.875 1.00 0.00 O ATOM 483 CB ASP A 35 2.140 1.658 4.389 1.00 0.00 C ATOM 484 CG ASP A 35 2.556 2.843 5.241 1.00 0.00 C ATOM 485 OD1 ASP A 35 3.261 2.629 6.249 1.00 0.00 O ATOM 486 OD2 ASP A 35 2.177 3.983 4.900 1.00 0.00 O ATOM 0 H ASP A 35 0.223 0.166 3.041 1.00 0.00 H new ATOM 0 HA ASP A 35 0.928 0.681 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.920 0.898 4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.049 1.975 3.350 1.00 0.00 H new ATOM 491 N ASP A 36 -1.069 2.150 5.904 1.00 0.00 N ATOM 492 CA ASP A 36 -2.155 3.116 6.015 1.00 0.00 C ATOM 493 C ASP A 36 -1.713 4.342 6.808 1.00 0.00 C ATOM 494 O ASP A 36 -2.537 5.047 7.391 1.00 0.00 O ATOM 495 CB ASP A 36 -3.372 2.475 6.684 1.00 0.00 C ATOM 496 CG ASP A 36 -3.066 1.971 8.082 1.00 0.00 C ATOM 497 OD1 ASP A 36 -2.186 2.558 8.745 1.00 0.00 O ATOM 498 OD2 ASP A 36 -3.707 0.988 8.512 1.00 0.00 O ATOM 0 H ASP A 36 -0.975 1.528 6.707 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.428 3.434 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.182 3.203 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.725 1.646 6.071 1.00 0.00 H new ATOM 503 N THR A 37 -0.408 4.590 6.826 1.00 0.00 N ATOM 504 CA THR A 37 0.144 5.730 7.549 1.00 0.00 C ATOM 505 C THR A 37 0.232 6.960 6.654 1.00 0.00 C ATOM 506 O THR A 37 0.099 8.091 7.120 1.00 0.00 O ATOM 507 CB THR A 37 1.544 5.415 8.109 1.00 0.00 C ATOM 508 OG1 THR A 37 2.439 5.091 7.039 1.00 0.00 O ATOM 509 CG2 THR A 37 1.485 4.260 9.096 1.00 0.00 C ATOM 0 H THR A 37 0.287 4.017 6.348 1.00 0.00 H new ATOM 0 HA THR A 37 -0.533 5.936 8.378 1.00 0.00 H new ATOM 0 HB THR A 37 1.909 6.299 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.932 4.995 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.485 4.056 9.478 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.827 4.523 9.924 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.100 3.372 8.594 1.00 0.00 H new ATOM 517 N VAL A 38 0.459 6.732 5.365 1.00 0.00 N ATOM 518 CA VAL A 38 0.570 7.821 4.403 1.00 0.00 C ATOM 519 C VAL A 38 -0.726 7.996 3.619 1.00 0.00 C ATOM 520 O VAL A 38 -1.188 7.072 2.949 1.00 0.00 O ATOM 521 CB VAL A 38 1.726 7.583 3.414 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.822 8.729 2.418 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.039 7.404 4.160 1.00 0.00 C ATOM 0 H VAL A 38 0.570 5.801 4.962 1.00 0.00 H new ATOM 0 HA VAL A 38 0.772 8.727 4.974 1.00 0.00 H new ATOM 0 HB VAL A 38 1.522 6.667 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.645 8.543 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.889 8.805 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.001 9.662 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.844 7.237 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.252 8.300 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.964 6.546 4.828 1.00 0.00 H new ATOM 533 N ARG A 39 -1.308 9.188 3.707 1.00 0.00 N ATOM 534 CA ARG A 39 -2.549 9.486 3.003 1.00 0.00 C ATOM 535 C ARG A 39 -2.265 10.084 1.629 1.00 0.00 C ATOM 536 O ARG A 39 -1.203 10.666 1.402 1.00 0.00 O ATOM 537 CB ARG A 39 -3.407 10.449 3.826 1.00 0.00 C ATOM 538 CG ARG A 39 -3.801 9.898 5.187 1.00 0.00 C ATOM 539 CD ARG A 39 -4.633 10.899 5.974 1.00 0.00 C ATOM 540 NE ARG A 39 -5.021 10.378 7.282 1.00 0.00 N ATOM 541 CZ ARG A 39 -5.418 11.145 8.291 1.00 0.00 C ATOM 542 NH1 ARG A 39 -5.478 12.462 8.142 1.00 0.00 N ATOM 543 NH2 ARG A 39 -5.755 10.597 9.451 1.00 0.00 N ATOM 0 H ARG A 39 -0.940 9.963 4.259 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.094 8.552 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.861 11.382 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.310 10.689 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.367 8.975 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.904 9.645 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.065 11.820 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.527 11.154 5.405 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.985 9.369 7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.219 12.887 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.783 13.050 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.709 9.585 9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.060 11.188 10.225 1.00 0.00 H new ATOM 557 N GLY A 40 -3.215 9.930 0.713 1.00 0.00 N ATOM 558 CA GLY A 40 -3.038 10.443 -0.632 1.00 0.00 C ATOM 559 C GLY A 40 -2.452 9.409 -1.573 1.00 0.00 C ATOM 560 O GLY A 40 -2.891 9.281 -2.717 1.00 0.00 O ATOM 0 H GLY A 40 -4.104 9.459 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.000 10.779 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.384 11.315 -0.602 1.00 0.00 H new ATOM 564 N VAL A 41 -1.461 8.667 -1.090 1.00 0.00 N ATOM 565 CA VAL A 41 -0.820 7.631 -1.891 1.00 0.00 C ATOM 566 C VAL A 41 -1.466 6.272 -1.649 1.00 0.00 C ATOM 567 O VAL A 41 -2.276 6.112 -0.736 1.00 0.00 O ATOM 568 CB VAL A 41 0.686 7.532 -1.579 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.383 8.848 -1.889 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.906 7.133 -0.129 1.00 0.00 C ATOM 0 H VAL A 41 -1.084 8.764 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.950 7.913 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 41 1.120 6.759 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.446 8.759 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.256 9.087 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.948 9.642 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.975 7.068 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.458 7.880 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.443 6.164 0.056 1.00 0.00 H new ATOM 580 N PRO A 42 -1.112 5.272 -2.470 1.00 0.00 N ATOM 581 CA PRO A 42 -1.655 3.915 -2.347 1.00 0.00 C ATOM 582 C PRO A 42 -1.173 3.213 -1.082 1.00 0.00 C ATOM 583 O PRO A 42 0.029 3.038 -0.876 1.00 0.00 O ATOM 584 CB PRO A 42 -1.120 3.202 -3.592 1.00 0.00 C ATOM 585 CG PRO A 42 0.109 3.957 -3.963 1.00 0.00 C ATOM 586 CD PRO A 42 -0.152 5.388 -3.583 1.00 0.00 C ATOM 0 HA PRO A 42 -2.743 3.916 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.894 2.156 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.851 3.215 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.980 3.567 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.314 3.868 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.762 5.896 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.567 5.956 -4.415 1.00 0.00 H new ATOM 594 N TRP A 43 -2.117 2.812 -0.237 1.00 0.00 N ATOM 595 CA TRP A 43 -1.788 2.131 1.009 1.00 0.00 C ATOM 596 C TRP A 43 -1.220 0.742 0.736 1.00 0.00 C ATOM 597 O TRP A 43 -0.220 0.342 1.332 1.00 0.00 O ATOM 598 CB TRP A 43 -3.025 2.024 1.901 1.00 0.00 C ATOM 599 CG TRP A 43 -3.595 3.354 2.289 1.00 0.00 C ATOM 600 CD1 TRP A 43 -3.025 4.579 2.092 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.846 3.595 2.942 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.844 5.566 2.583 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.969 4.987 3.110 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.875 2.768 3.402 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -6.080 5.569 3.717 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.976 3.347 4.005 1.00 0.00 C ATOM 607 CH2 TRP A 43 -7.071 4.735 4.157 1.00 0.00 C ATOM 0 H TRP A 43 -3.116 2.947 -0.393 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.029 2.719 1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.790 1.447 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.766 1.470 2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -2.069 4.747 1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.647 6.567 2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.811 1.696 3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.156 6.640 3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.776 2.718 4.365 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.945 5.156 4.632 1.00 0.00 H new ATOM 618 N CYS A 44 -1.860 0.014 -0.174 1.00 0.00 N ATOM 619 CA CYS A 44 -1.407 -1.324 -0.535 1.00 0.00 C ATOM 620 C CYS A 44 -0.560 -1.283 -1.803 1.00 0.00 C ATOM 621 O CYS A 44 -1.032 -0.870 -2.863 1.00 0.00 O ATOM 622 CB CYS A 44 -2.607 -2.252 -0.736 1.00 0.00 C ATOM 623 SG CYS A 44 -2.157 -3.971 -1.142 1.00 0.00 S ATOM 0 H CYS A 44 -2.692 0.328 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.793 -1.709 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.210 -2.250 0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.232 -1.853 -1.535 1.00 0.00 H new ATOM 628 N PHE A 45 0.695 -1.703 -1.684 1.00 0.00 N ATOM 629 CA PHE A 45 1.616 -1.685 -2.815 1.00 0.00 C ATOM 630 C PHE A 45 2.605 -2.844 -2.732 1.00 0.00 C ATOM 631 O PHE A 45 2.849 -3.389 -1.656 1.00 0.00 O ATOM 632 CB PHE A 45 2.372 -0.356 -2.860 1.00 0.00 C ATOM 633 CG PHE A 45 3.154 -0.068 -1.610 1.00 0.00 C ATOM 634 CD1 PHE A 45 4.465 -0.497 -1.482 1.00 0.00 C ATOM 635 CD2 PHE A 45 2.576 0.632 -0.563 1.00 0.00 C ATOM 636 CE1 PHE A 45 5.186 -0.234 -0.333 1.00 0.00 C ATOM 637 CE2 PHE A 45 3.292 0.898 0.589 1.00 0.00 C ATOM 638 CZ PHE A 45 4.598 0.465 0.704 1.00 0.00 C ATOM 0 H PHE A 45 1.097 -2.060 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 45 1.032 -1.796 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.053 -0.363 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.660 0.452 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.929 -1.043 -2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.555 0.973 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.207 -0.574 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.830 1.444 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.159 0.672 1.603 1.00 0.00 H new ATOM 648 N TYR A 46 3.170 -3.215 -3.876 1.00 0.00 N ATOM 649 CA TYR A 46 4.131 -4.310 -3.934 1.00 0.00 C ATOM 650 C TYR A 46 5.385 -3.978 -3.131 1.00 0.00 C ATOM 651 O TYR A 46 5.689 -2.810 -2.889 1.00 0.00 O ATOM 652 CB TYR A 46 4.508 -4.609 -5.386 1.00 0.00 C ATOM 653 CG TYR A 46 3.330 -5.013 -6.246 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.536 -4.055 -6.864 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.015 -6.352 -6.440 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.460 -4.420 -7.650 1.00 0.00 C ATOM 657 CE2 TYR A 46 1.941 -6.725 -7.226 1.00 0.00 C ATOM 658 CZ TYR A 46 1.166 -5.757 -7.828 1.00 0.00 C ATOM 659 OH TYR A 46 0.096 -6.125 -8.610 1.00 0.00 O ATOM 0 H TYR A 46 2.979 -2.773 -4.775 1.00 0.00 H new ATOM 0 HA TYR A 46 3.664 -5.192 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.978 -3.727 -5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.250 -5.407 -5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.764 -3.008 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.619 -7.114 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.852 -3.663 -8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.710 -7.770 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 46 0.028 -7.102 -8.633 1.00 0.00 H new ATOM 669 N PRO A 47 6.128 -5.012 -2.707 1.00 0.00 N ATOM 670 CA PRO A 47 7.356 -4.838 -1.924 1.00 0.00 C ATOM 671 C PRO A 47 8.502 -4.280 -2.761 1.00 0.00 C ATOM 672 O PRO A 47 8.284 -3.717 -3.835 1.00 0.00 O ATOM 673 CB PRO A 47 7.678 -6.257 -1.455 1.00 0.00 C ATOM 674 CG PRO A 47 7.063 -7.144 -2.482 1.00 0.00 C ATOM 675 CD PRO A 47 5.826 -6.432 -2.959 1.00 0.00 C ATOM 0 HA PRO A 47 7.225 -4.124 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.754 -6.417 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.264 -6.450 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.753 -7.322 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.814 -8.117 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.637 -6.621 -4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.940 -6.757 -2.413 1.00 0.00 H new ATOM 683 N ASN A 48 9.724 -4.440 -2.263 1.00 0.00 N ATOM 684 CA ASN A 48 10.907 -3.956 -2.967 1.00 0.00 C ATOM 685 C ASN A 48 12.046 -4.966 -2.877 1.00 0.00 C ATOM 686 O ASN A 48 12.275 -5.566 -1.827 1.00 0.00 O ATOM 687 CB ASN A 48 11.355 -2.612 -2.390 1.00 0.00 C ATOM 688 CG ASN A 48 11.714 -2.706 -0.919 1.00 0.00 C ATOM 689 OD1 ASN A 48 12.154 -3.752 -0.441 1.00 0.00 O ATOM 690 ND2 ASN A 48 11.529 -1.610 -0.194 1.00 0.00 N ATOM 0 H ASN A 48 9.921 -4.901 -1.375 1.00 0.00 H new ATOM 0 HA ASN A 48 10.645 -3.824 -4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.217 -2.249 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.558 -1.880 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.754 -1.613 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.162 -0.765 -0.632 1.00 0.00 H new ATOM 965 N CYS B 7 14.512 -16.459 20.535 1.00 0.00 N ATOM 966 CA CYS B 7 15.026 -17.446 21.476 1.00 0.00 C ATOM 967 C CYS B 7 15.275 -16.807 22.837 1.00 0.00 C ATOM 968 O CYS B 7 15.593 -17.492 23.808 1.00 0.00 O ATOM 969 CB CYS B 7 16.329 -18.052 20.952 1.00 0.00 C ATOM 970 SG CYS B 7 16.193 -18.816 19.305 1.00 0.00 S ATOM 0 HA CYS B 7 14.281 -18.234 21.583 1.00 0.00 H new ATOM 0 HB2 CYS B 7 17.090 -17.272 20.916 1.00 0.00 H new ATOM 0 HB3 CYS B 7 16.677 -18.804 21.660 1.00 0.00 H new ATOM 975 N THR B 8 15.121 -15.488 22.901 1.00 0.00 N ATOM 976 CA THR B 8 15.313 -14.756 24.146 1.00 0.00 C ATOM 977 C THR B 8 14.026 -14.721 24.963 1.00 0.00 C ATOM 978 O THR B 8 13.395 -13.673 25.101 1.00 0.00 O ATOM 979 CB THR B 8 15.779 -13.312 23.885 1.00 0.00 C ATOM 980 OG1 THR B 8 15.960 -12.622 25.127 1.00 0.00 O ATOM 981 CG2 THR B 8 14.770 -12.565 23.027 1.00 0.00 C ATOM 0 H THR B 8 14.864 -14.905 22.104 1.00 0.00 H new ATOM 0 HA THR B 8 16.086 -15.282 24.706 1.00 0.00 H new ATOM 0 HB THR B 8 16.728 -13.352 23.351 1.00 0.00 H new ATOM 0 HG1 THR B 8 16.258 -11.705 24.951 1.00 0.00 H new ATOM 0 HG21 THR B 8 15.121 -11.547 22.856 1.00 0.00 H new ATOM 0 HG22 THR B 8 14.657 -13.075 22.071 1.00 0.00 H new ATOM 0 HG23 THR B 8 13.808 -12.536 23.539 1.00 0.00 H new ATOM 989 N VAL B 9 13.640 -15.874 25.499 1.00 0.00 N ATOM 990 CA VAL B 9 12.423 -15.978 26.294 1.00 0.00 C ATOM 991 C VAL B 9 12.708 -15.715 27.768 1.00 0.00 C ATOM 992 O VAL B 9 13.862 -15.709 28.196 1.00 0.00 O ATOM 993 CB VAL B 9 11.774 -17.369 26.152 1.00 0.00 C ATOM 994 CG1 VAL B 9 10.504 -17.455 26.982 1.00 0.00 C ATOM 995 CG2 VAL B 9 11.487 -17.676 24.689 1.00 0.00 C ATOM 0 H VAL B 9 14.153 -16.750 25.397 1.00 0.00 H new ATOM 0 HA VAL B 9 11.734 -15.223 25.916 1.00 0.00 H new ATOM 0 HB VAL B 9 12.474 -18.116 26.526 1.00 0.00 H new ATOM 0 HG11 VAL B 9 10.061 -18.444 26.868 1.00 0.00 H new ATOM 0 HG12 VAL B 9 10.743 -17.283 28.031 1.00 0.00 H new ATOM 0 HG13 VAL B 9 9.796 -16.699 26.643 1.00 0.00 H new ATOM 0 HG21 VAL B 9 11.029 -18.662 24.607 1.00 0.00 H new ATOM 0 HG22 VAL B 9 10.807 -16.925 24.286 1.00 0.00 H new ATOM 0 HG23 VAL B 9 12.419 -17.661 24.124 1.00 0.00 H new ATOM 1005 N ALA B 10 11.649 -15.500 28.541 1.00 0.00 N ATOM 1006 CA ALA B 10 11.786 -15.246 29.970 1.00 0.00 C ATOM 1007 C ALA B 10 12.722 -16.262 30.617 1.00 0.00 C ATOM 1008 O ALA B 10 12.414 -17.452 30.679 1.00 0.00 O ATOM 1009 CB ALA B 10 10.423 -15.274 30.645 1.00 0.00 C ATOM 0 H ALA B 10 10.687 -15.497 28.202 1.00 0.00 H new ATOM 0 HA ALA B 10 12.220 -14.255 30.100 1.00 0.00 H new ATOM 0 HB1 ALA B 10 10.541 -15.083 31.712 1.00 0.00 H new ATOM 0 HB2 ALA B 10 9.784 -14.507 30.207 1.00 0.00 H new ATOM 0 HB3 ALA B 10 9.965 -16.253 30.500 1.00 0.00 H new ATOM 1015 N PRO B 11 13.885 -15.799 31.099 1.00 0.00 N ATOM 1016 CA PRO B 11 14.887 -16.665 31.720 1.00 0.00 C ATOM 1017 C PRO B 11 14.272 -17.658 32.700 1.00 0.00 C ATOM 1018 O PRO B 11 14.599 -18.845 32.684 1.00 0.00 O ATOM 1019 CB PRO B 11 15.789 -15.675 32.454 1.00 0.00 C ATOM 1020 CG PRO B 11 15.706 -14.425 31.646 1.00 0.00 C ATOM 1021 CD PRO B 11 14.316 -14.389 31.065 1.00 0.00 C ATOM 0 HA PRO B 11 15.408 -17.282 30.988 1.00 0.00 H new ATOM 0 HB2 PRO B 11 15.448 -15.510 33.476 1.00 0.00 H new ATOM 0 HB3 PRO B 11 16.814 -16.041 32.515 1.00 0.00 H new ATOM 0 HG2 PRO B 11 15.891 -13.548 32.266 1.00 0.00 H new ATOM 0 HG3 PRO B 11 16.458 -14.422 30.857 1.00 0.00 H new ATOM 0 HD2 PRO B 11 13.653 -13.754 31.652 1.00 0.00 H new ATOM 0 HD3 PRO B 11 14.317 -13.995 30.049 1.00 0.00 H new ATOM 1029 N ARG B 12 13.381 -17.165 33.552 1.00 0.00 N ATOM 1030 CA ARG B 12 12.722 -18.010 34.542 1.00 0.00 C ATOM 1031 C ARG B 12 11.675 -18.903 33.886 1.00 0.00 C ATOM 1032 O ARG B 12 11.400 -20.005 34.362 1.00 0.00 O ATOM 1033 CB ARG B 12 12.072 -17.149 35.626 1.00 0.00 C ATOM 1034 CG ARG B 12 13.059 -16.274 36.383 1.00 0.00 C ATOM 1035 CD ARG B 12 14.121 -17.108 37.080 1.00 0.00 C ATOM 1036 NE ARG B 12 13.539 -18.041 38.042 1.00 0.00 N ATOM 1037 CZ ARG B 12 14.256 -18.899 38.761 1.00 0.00 C ATOM 1038 NH1 ARG B 12 15.575 -18.941 38.626 1.00 0.00 N ATOM 1039 NH2 ARG B 12 13.655 -19.716 39.614 1.00 0.00 N ATOM 0 H ARG B 12 13.098 -16.185 33.578 1.00 0.00 H new ATOM 0 HA ARG B 12 13.478 -18.647 35.000 1.00 0.00 H new ATOM 0 HB2 ARG B 12 11.314 -16.514 35.168 1.00 0.00 H new ATOM 0 HB3 ARG B 12 11.558 -17.799 36.334 1.00 0.00 H new ATOM 0 HG2 ARG B 12 13.536 -15.579 35.691 1.00 0.00 H new ATOM 0 HG3 ARG B 12 12.525 -15.674 37.119 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.692 -17.663 36.336 1.00 0.00 H new ATOM 0 HD3 ARG B 12 14.821 -16.449 37.592 1.00 0.00 H new ATOM 0 HE ARG B 12 12.527 -18.034 38.169 1.00 0.00 H new ATOM 0 HH11 ARG B 12 16.041 -18.314 37.970 1.00 0.00 H new ATOM 0 HH12 ARG B 12 16.123 -19.600 39.179 1.00 0.00 H new ATOM 0 HH21 ARG B 12 12.641 -19.687 39.720 1.00 0.00 H new ATOM 0 HH22 ARG B 12 14.207 -20.374 40.165 1.00 0.00 H new ATOM 1053 N GLU B 13 11.087 -18.418 32.798 1.00 0.00 N ATOM 1054 CA GLU B 13 10.056 -19.164 32.088 1.00 0.00 C ATOM 1055 C GLU B 13 10.661 -20.000 30.964 1.00 0.00 C ATOM 1056 O GLU B 13 9.964 -20.778 30.312 1.00 0.00 O ATOM 1057 CB GLU B 13 9.004 -18.210 31.521 1.00 0.00 C ATOM 1058 CG GLU B 13 8.297 -17.384 32.584 1.00 0.00 C ATOM 1059 CD GLU B 13 7.262 -16.443 31.999 1.00 0.00 C ATOM 1060 OE1 GLU B 13 7.622 -15.293 31.671 1.00 0.00 O ATOM 1061 OE2 GLU B 13 6.091 -16.857 31.868 1.00 0.00 O ATOM 0 H GLU B 13 11.307 -17.510 32.388 1.00 0.00 H new ATOM 0 HA GLU B 13 9.579 -19.838 32.799 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.481 -17.538 30.808 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.263 -18.787 30.968 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.813 -18.053 33.296 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.035 -16.806 33.140 1.00 0.00 H new ATOM 1068 N ARG B 14 11.960 -19.835 30.742 1.00 0.00 N ATOM 1069 CA ARG B 14 12.657 -20.581 29.700 1.00 0.00 C ATOM 1070 C ARG B 14 12.538 -22.084 29.937 1.00 0.00 C ATOM 1071 O ARG B 14 12.874 -22.580 31.012 1.00 0.00 O ATOM 1072 CB ARG B 14 14.131 -20.178 29.648 1.00 0.00 C ATOM 1073 CG ARG B 14 14.351 -18.709 29.324 1.00 0.00 C ATOM 1074 CD ARG B 14 15.830 -18.368 29.255 1.00 0.00 C ATOM 1075 NE ARG B 14 16.053 -16.959 28.942 1.00 0.00 N ATOM 1076 CZ ARG B 14 17.257 -16.399 28.885 1.00 0.00 C ATOM 1077 NH1 ARG B 14 18.341 -17.128 29.117 1.00 0.00 N ATOM 1078 NH2 ARG B 14 17.378 -15.111 28.595 1.00 0.00 N ATOM 0 H ARG B 14 12.551 -19.192 31.269 1.00 0.00 H new ATOM 0 HA ARG B 14 12.190 -20.341 28.745 1.00 0.00 H new ATOM 0 HB2 ARG B 14 14.594 -20.403 30.609 1.00 0.00 H new ATOM 0 HB3 ARG B 14 14.639 -20.786 28.899 1.00 0.00 H new ATOM 0 HG2 ARG B 14 13.877 -18.471 28.372 1.00 0.00 H new ATOM 0 HG3 ARG B 14 13.870 -18.092 30.083 1.00 0.00 H new ATOM 0 HD2 ARG B 14 16.302 -18.607 30.208 1.00 0.00 H new ATOM 0 HD3 ARG B 14 16.310 -18.988 28.498 1.00 0.00 H new ATOM 0 HE ARG B 14 15.240 -16.372 28.757 1.00 0.00 H new ATOM 0 HH11 ARG B 14 18.251 -18.119 29.339 1.00 0.00 H new ATOM 0 HH12 ARG B 14 19.264 -16.697 29.073 1.00 0.00 H new ATOM 0 HH21 ARG B 14 16.546 -14.548 28.415 1.00 0.00 H new ATOM 0 HH22 ARG B 14 18.303 -14.683 28.552 1.00 0.00 H new ATOM 1092 N GLN B 15 12.057 -22.800 28.927 1.00 0.00 N ATOM 1093 CA GLN B 15 11.893 -24.245 29.027 1.00 0.00 C ATOM 1094 C GLN B 15 13.221 -24.960 28.797 1.00 0.00 C ATOM 1095 O GLN B 15 13.639 -25.164 27.657 1.00 0.00 O ATOM 1096 CB GLN B 15 10.856 -24.734 28.015 1.00 0.00 C ATOM 1097 CG GLN B 15 10.603 -26.231 28.078 1.00 0.00 C ATOM 1098 CD GLN B 15 10.102 -26.680 29.437 1.00 0.00 C ATOM 1099 OE1 GLN B 15 10.346 -27.810 29.858 1.00 0.00 O ATOM 1100 NE2 GLN B 15 9.399 -25.793 30.131 1.00 0.00 N ATOM 0 H GLN B 15 11.774 -22.404 28.031 1.00 0.00 H new ATOM 0 HA GLN B 15 11.545 -24.477 30.034 1.00 0.00 H new ATOM 0 HB2 GLN B 15 9.917 -24.208 28.187 1.00 0.00 H new ATOM 0 HB3 GLN B 15 11.189 -24.472 27.011 1.00 0.00 H new ATOM 0 HG2 GLN B 15 9.873 -26.505 27.317 1.00 0.00 H new ATOM 0 HG3 GLN B 15 11.525 -26.762 27.841 1.00 0.00 H new ATOM 0 HE21 GLN B 15 9.221 -24.867 29.742 1.00 0.00 H new ATOM 0 HE22 GLN B 15 9.037 -26.038 31.053 1.00 0.00 H new ATOM 1109 N ASN B 16 13.882 -25.332 29.888 1.00 0.00 N ATOM 1110 CA ASN B 16 15.171 -26.008 29.810 1.00 0.00 C ATOM 1111 C ASN B 16 15.226 -26.942 28.605 1.00 0.00 C ATOM 1112 O ASN B 16 14.208 -27.491 28.184 1.00 0.00 O ATOM 1113 CB ASN B 16 15.435 -26.798 31.092 1.00 0.00 C ATOM 1114 CG ASN B 16 16.766 -27.524 31.062 1.00 0.00 C ATOM 1115 OD1 ASN B 16 16.850 -28.672 30.625 1.00 0.00 O ATOM 1116 ND2 ASN B 16 17.816 -26.858 31.528 1.00 0.00 N ATOM 0 H ASN B 16 13.545 -25.176 30.838 1.00 0.00 H new ATOM 0 HA ASN B 16 15.943 -25.248 29.693 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.414 -26.119 31.944 1.00 0.00 H new ATOM 0 HB3 ASN B 16 14.633 -27.521 31.241 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.737 -27.297 31.533 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.702 -25.908 31.881 1.00 0.00 H new ATOM 1123 N CYS B 17 16.426 -27.126 28.062 1.00 0.00 N ATOM 1124 CA CYS B 17 16.626 -28.017 26.926 1.00 0.00 C ATOM 1125 C CYS B 17 17.838 -28.912 27.149 1.00 0.00 C ATOM 1126 O CYS B 17 18.227 -29.680 26.268 1.00 0.00 O ATOM 1127 CB CYS B 17 16.803 -27.210 25.638 1.00 0.00 C ATOM 1128 SG CYS B 17 17.181 -28.224 24.172 1.00 0.00 S ATOM 0 H CYS B 17 17.276 -26.668 28.392 1.00 0.00 H new ATOM 0 HA CYS B 17 15.741 -28.647 26.830 1.00 0.00 H new ATOM 0 HB2 CYS B 17 15.892 -26.643 25.449 1.00 0.00 H new ATOM 0 HB3 CYS B 17 17.605 -26.486 25.783 1.00 0.00 H new ATOM 1133 N GLY B 18 18.435 -28.802 28.329 1.00 0.00 N ATOM 1134 CA GLY B 18 19.607 -29.597 28.646 1.00 0.00 C ATOM 1135 C GLY B 18 20.135 -29.319 30.039 1.00 0.00 C ATOM 1136 O GLY B 18 19.371 -29.264 31.002 1.00 0.00 O ATOM 0 H GLY B 18 18.128 -28.176 29.073 1.00 0.00 H new ATOM 0 HA2 GLY B 18 19.359 -30.655 28.559 1.00 0.00 H new ATOM 0 HA3 GLY B 18 20.390 -29.392 27.916 1.00 0.00 H new ATOM 1140 N PHE B 19 21.448 -29.141 30.144 1.00 0.00 N ATOM 1141 CA PHE B 19 22.080 -28.857 31.426 1.00 0.00 C ATOM 1142 C PHE B 19 22.483 -27.388 31.521 1.00 0.00 C ATOM 1143 O PHE B 19 22.528 -26.681 30.515 1.00 0.00 O ATOM 1144 CB PHE B 19 23.306 -29.752 31.624 1.00 0.00 C ATOM 1145 CG PHE B 19 24.323 -29.630 30.524 1.00 0.00 C ATOM 1146 CD1 PHE B 19 24.168 -30.330 29.339 1.00 0.00 C ATOM 1147 CD2 PHE B 19 25.436 -28.820 30.679 1.00 0.00 C ATOM 1148 CE1 PHE B 19 25.102 -30.222 28.326 1.00 0.00 C ATOM 1149 CE2 PHE B 19 26.375 -28.708 29.670 1.00 0.00 C ATOM 1150 CZ PHE B 19 26.208 -29.411 28.493 1.00 0.00 C ATOM 0 H PHE B 19 22.094 -29.189 29.356 1.00 0.00 H new ATOM 0 HA PHE B 19 21.357 -29.067 32.214 1.00 0.00 H new ATOM 0 HB2 PHE B 19 23.779 -29.502 32.574 1.00 0.00 H new ATOM 0 HB3 PHE B 19 22.981 -30.790 31.693 1.00 0.00 H new ATOM 0 HD1 PHE B 19 23.307 -30.968 29.205 1.00 0.00 H new ATOM 0 HD2 PHE B 19 25.572 -28.270 31.598 1.00 0.00 H new ATOM 0 HE1 PHE B 19 24.968 -30.771 27.405 1.00 0.00 H new ATOM 0 HE2 PHE B 19 27.238 -28.072 29.802 1.00 0.00 H new ATOM 0 HZ PHE B 19 26.941 -29.327 27.704 1.00 0.00 H new ATOM 1160 N PRO B 20 22.773 -26.913 32.742 1.00 0.00 N ATOM 1161 CA PRO B 20 23.158 -25.518 32.979 1.00 0.00 C ATOM 1162 C PRO B 20 24.501 -25.173 32.346 1.00 0.00 C ATOM 1163 O PRO B 20 24.732 -24.035 31.936 1.00 0.00 O ATOM 1164 CB PRO B 20 23.245 -25.421 34.505 1.00 0.00 C ATOM 1165 CG PRO B 20 23.473 -26.821 34.964 1.00 0.00 C ATOM 1166 CD PRO B 20 22.745 -27.700 33.986 1.00 0.00 C ATOM 0 HA PRO B 20 22.446 -24.821 32.537 1.00 0.00 H new ATOM 0 HB2 PRO B 20 24.060 -24.766 34.814 1.00 0.00 H new ATOM 0 HB3 PRO B 20 22.328 -25.011 34.928 1.00 0.00 H new ATOM 0 HG2 PRO B 20 24.537 -27.057 34.984 1.00 0.00 H new ATOM 0 HG3 PRO B 20 23.095 -26.966 35.976 1.00 0.00 H new ATOM 0 HD2 PRO B 20 23.240 -28.663 33.864 1.00 0.00 H new ATOM 0 HD3 PRO B 20 21.725 -27.905 34.310 1.00 0.00 H new ATOM 1174 N GLY B 21 25.384 -26.163 32.267 1.00 0.00 N ATOM 1175 CA GLY B 21 26.691 -25.944 31.677 1.00 0.00 C ATOM 1176 C GLY B 21 26.666 -26.035 30.164 1.00 0.00 C ATOM 1177 O GLY B 21 27.686 -25.829 29.507 1.00 0.00 O ATOM 0 H GLY B 21 25.218 -27.112 32.601 1.00 0.00 H new ATOM 0 HA2 GLY B 21 27.060 -24.962 31.973 1.00 0.00 H new ATOM 0 HA3 GLY B 21 27.392 -26.680 32.071 1.00 0.00 H new ATOM 1181 N VAL B 22 25.499 -26.348 29.612 1.00 0.00 N ATOM 1182 CA VAL B 22 25.346 -26.475 28.168 1.00 0.00 C ATOM 1183 C VAL B 22 25.982 -25.297 27.438 1.00 0.00 C ATOM 1184 O VAL B 22 26.005 -24.176 27.946 1.00 0.00 O ATOM 1185 CB VAL B 22 23.862 -26.570 27.766 1.00 0.00 C ATOM 1186 CG1 VAL B 22 23.228 -27.824 28.348 1.00 0.00 C ATOM 1187 CG2 VAL B 22 23.107 -25.328 28.214 1.00 0.00 C ATOM 0 H VAL B 22 24.645 -26.518 30.143 1.00 0.00 H new ATOM 0 HA VAL B 22 25.855 -27.395 27.879 1.00 0.00 H new ATOM 0 HB VAL B 22 23.804 -26.632 26.679 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.180 -27.873 28.053 1.00 0.00 H new ATOM 0 HG12 VAL B 22 23.752 -28.704 27.974 1.00 0.00 H new ATOM 0 HG13 VAL B 22 23.297 -27.796 29.435 1.00 0.00 H new ATOM 0 HG21 VAL B 22 22.060 -25.413 27.921 1.00 0.00 H new ATOM 0 HG22 VAL B 22 23.174 -25.233 29.298 1.00 0.00 H new ATOM 0 HG23 VAL B 22 23.545 -24.447 27.744 1.00 0.00 H new ATOM 1197 N THR B 23 26.498 -25.563 26.243 1.00 0.00 N ATOM 1198 CA THR B 23 27.132 -24.529 25.434 1.00 0.00 C ATOM 1199 C THR B 23 26.462 -24.419 24.068 1.00 0.00 C ATOM 1200 O THR B 23 25.578 -25.208 23.739 1.00 0.00 O ATOM 1201 CB THR B 23 28.633 -24.817 25.236 1.00 0.00 C ATOM 1202 OG1 THR B 23 28.808 -26.082 24.586 1.00 0.00 O ATOM 1203 CG2 THR B 23 29.364 -24.823 26.570 1.00 0.00 C ATOM 0 H THR B 23 26.489 -26.488 25.813 1.00 0.00 H new ATOM 0 HA THR B 23 27.018 -23.587 25.970 1.00 0.00 H new ATOM 0 HB THR B 23 29.052 -24.027 24.613 1.00 0.00 H new ATOM 0 HG1 THR B 23 29.762 -26.235 24.419 1.00 0.00 H new ATOM 0 HG21 THR B 23 30.422 -25.028 26.404 1.00 0.00 H new ATOM 0 HG22 THR B 23 29.254 -23.850 27.050 1.00 0.00 H new ATOM 0 HG23 THR B 23 28.941 -25.595 27.213 1.00 0.00 H new ATOM 1211 N PRO B 24 26.882 -23.440 23.253 1.00 0.00 N ATOM 1212 CA PRO B 24 26.334 -23.241 21.908 1.00 0.00 C ATOM 1213 C PRO B 24 26.400 -24.512 21.068 1.00 0.00 C ATOM 1214 O PRO B 24 25.443 -24.862 20.377 1.00 0.00 O ATOM 1215 CB PRO B 24 27.228 -22.148 21.303 1.00 0.00 C ATOM 1216 CG PRO B 24 28.411 -22.050 22.209 1.00 0.00 C ATOM 1217 CD PRO B 24 27.924 -22.457 23.569 1.00 0.00 C ATOM 0 HA PRO B 24 25.279 -22.969 21.937 1.00 0.00 H new ATOM 0 HB2 PRO B 24 27.532 -22.407 20.289 1.00 0.00 H new ATOM 0 HB3 PRO B 24 26.699 -21.197 21.245 1.00 0.00 H new ATOM 0 HG2 PRO B 24 29.216 -22.702 21.871 1.00 0.00 H new ATOM 0 HG3 PRO B 24 28.808 -21.035 22.224 1.00 0.00 H new ATOM 0 HD2 PRO B 24 28.721 -22.891 24.172 1.00 0.00 H new ATOM 0 HD3 PRO B 24 27.526 -21.610 24.128 1.00 0.00 H new ATOM 1225 N SER B 25 27.533 -25.202 21.136 1.00 0.00 N ATOM 1226 CA SER B 25 27.721 -26.441 20.389 1.00 0.00 C ATOM 1227 C SER B 25 26.988 -27.598 21.061 1.00 0.00 C ATOM 1228 O SER B 25 26.291 -28.369 20.402 1.00 0.00 O ATOM 1229 CB SER B 25 29.211 -26.766 20.269 1.00 0.00 C ATOM 1230 OG SER B 25 29.803 -26.928 21.546 1.00 0.00 O ATOM 0 H SER B 25 28.336 -24.925 21.701 1.00 0.00 H new ATOM 0 HA SER B 25 27.305 -26.302 19.391 1.00 0.00 H new ATOM 0 HB2 SER B 25 29.342 -27.678 19.686 1.00 0.00 H new ATOM 0 HB3 SER B 25 29.718 -25.967 19.729 1.00 0.00 H new ATOM 0 HG SER B 25 30.755 -27.137 21.441 1.00 0.00 H new ATOM 1236 N GLN B 26 27.153 -27.713 22.374 1.00 0.00 N ATOM 1237 CA GLN B 26 26.508 -28.777 23.136 1.00 0.00 C ATOM 1238 C GLN B 26 24.994 -28.734 22.955 1.00 0.00 C ATOM 1239 O GLN B 26 24.366 -29.746 22.646 1.00 0.00 O ATOM 1240 CB GLN B 26 26.858 -28.656 24.620 1.00 0.00 C ATOM 1241 CG GLN B 26 28.348 -28.757 24.904 1.00 0.00 C ATOM 1242 CD GLN B 26 28.935 -30.083 24.464 1.00 0.00 C ATOM 1243 OE1 GLN B 26 30.108 -30.165 24.097 1.00 0.00 O ATOM 1244 NE2 GLN B 26 28.122 -31.131 24.501 1.00 0.00 N ATOM 0 H GLN B 26 27.728 -27.083 22.933 1.00 0.00 H new ATOM 0 HA GLN B 26 26.875 -29.732 22.760 1.00 0.00 H new ATOM 0 HB2 GLN B 26 26.489 -27.701 24.995 1.00 0.00 H new ATOM 0 HB3 GLN B 26 26.337 -29.438 25.172 1.00 0.00 H new ATOM 0 HG2 GLN B 26 28.868 -27.946 24.393 1.00 0.00 H new ATOM 0 HG3 GLN B 26 28.521 -28.624 25.972 1.00 0.00 H new ATOM 0 HE21 GLN B 26 27.157 -31.017 24.812 1.00 0.00 H new ATOM 0 HE22 GLN B 26 28.462 -32.050 24.219 1.00 0.00 H new ATOM 1253 N CYS B 27 24.414 -27.555 23.152 1.00 0.00 N ATOM 1254 CA CYS B 27 22.973 -27.379 23.020 1.00 0.00 C ATOM 1255 C CYS B 27 22.513 -27.733 21.610 1.00 0.00 C ATOM 1256 O CYS B 27 21.666 -28.607 21.424 1.00 0.00 O ATOM 1257 CB CYS B 27 22.583 -25.938 23.353 1.00 0.00 C ATOM 1258 SG CYS B 27 20.786 -25.637 23.365 1.00 0.00 S ATOM 0 H CYS B 27 24.921 -26.706 23.404 1.00 0.00 H new ATOM 0 HA CYS B 27 22.481 -28.051 23.723 1.00 0.00 H new ATOM 0 HB2 CYS B 27 22.990 -25.679 24.330 1.00 0.00 H new ATOM 0 HB3 CYS B 27 23.047 -25.270 22.627 1.00 0.00 H new ATOM 1263 N ALA B 28 23.088 -27.061 20.618 1.00 0.00 N ATOM 1264 CA ALA B 28 22.772 -27.342 19.224 1.00 0.00 C ATOM 1265 C ALA B 28 22.679 -28.844 18.983 1.00 0.00 C ATOM 1266 O ALA B 28 21.850 -29.308 18.199 1.00 0.00 O ATOM 1267 CB ALA B 28 23.816 -26.721 18.309 1.00 0.00 C ATOM 0 H ALA B 28 23.774 -26.319 20.754 1.00 0.00 H new ATOM 0 HA ALA B 28 21.802 -26.900 18.997 1.00 0.00 H new ATOM 0 HB1 ALA B 28 23.566 -26.940 17.271 1.00 0.00 H new ATOM 0 HB2 ALA B 28 23.835 -25.641 18.458 1.00 0.00 H new ATOM 0 HB3 ALA B 28 24.797 -27.136 18.541 1.00 0.00 H new ATOM 1273 N ASN B 29 23.524 -29.601 19.676 1.00 0.00 N ATOM 1274 CA ASN B 29 23.504 -31.054 19.577 1.00 0.00 C ATOM 1275 C ASN B 29 22.088 -31.584 19.763 1.00 0.00 C ATOM 1276 O ASN B 29 21.677 -32.538 19.101 1.00 0.00 O ATOM 1277 CB ASN B 29 24.437 -31.669 20.623 1.00 0.00 C ATOM 1278 CG ASN B 29 24.460 -33.184 20.562 1.00 0.00 C ATOM 1279 OD1 ASN B 29 23.473 -33.816 20.189 1.00 0.00 O ATOM 1280 ND2 ASN B 29 25.592 -33.772 20.928 1.00 0.00 N ATOM 0 H ASN B 29 24.231 -29.231 20.312 1.00 0.00 H new ATOM 0 HA ASN B 29 23.852 -31.336 18.583 1.00 0.00 H new ATOM 0 HB2 ASN B 29 25.447 -31.287 20.473 1.00 0.00 H new ATOM 0 HB3 ASN B 29 24.121 -31.353 21.617 1.00 0.00 H new ATOM 0 HD21 ASN B 29 25.669 -34.789 20.907 1.00 0.00 H new ATOM 0 HD22 ASN B 29 26.386 -33.207 21.231 1.00 0.00 H new ATOM 1287 N LYS B 30 21.338 -30.943 20.653 1.00 0.00 N ATOM 1288 CA LYS B 30 19.945 -31.303 20.883 1.00 0.00 C ATOM 1289 C LYS B 30 19.031 -30.543 19.927 1.00 0.00 C ATOM 1290 O LYS B 30 18.085 -31.106 19.375 1.00 0.00 O ATOM 1291 CB LYS B 30 19.550 -31.005 22.330 1.00 0.00 C ATOM 1292 CG LYS B 30 20.385 -31.755 23.356 1.00 0.00 C ATOM 1293 CD LYS B 30 20.286 -33.261 23.166 1.00 0.00 C ATOM 1294 CE LYS B 30 18.863 -33.761 23.361 1.00 0.00 C ATOM 1295 NZ LYS B 30 17.919 -33.157 22.380 1.00 0.00 N ATOM 0 H LYS B 30 21.673 -30.170 21.228 1.00 0.00 H new ATOM 0 HA LYS B 30 19.833 -32.372 20.699 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.644 -29.934 22.510 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.500 -31.261 22.471 1.00 0.00 H new ATOM 0 HG2 LYS B 30 21.427 -31.445 23.275 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.052 -31.492 24.360 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.630 -33.525 22.166 1.00 0.00 H new ATOM 0 HD3 LYS B 30 20.947 -33.761 23.873 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.843 -34.846 23.262 1.00 0.00 H new ATOM 0 HE3 LYS B 30 18.532 -33.528 24.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 17.112 -33.797 22.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.577 -32.245 22.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.408 -33.007 21.475 1.00 0.00 H new ATOM 1309 N GLY B 31 19.331 -29.265 19.726 1.00 0.00 N ATOM 1310 CA GLY B 31 18.554 -28.454 18.808 1.00 0.00 C ATOM 1311 C GLY B 31 17.752 -27.378 19.512 1.00 0.00 C ATOM 1312 O GLY B 31 16.528 -27.328 19.392 1.00 0.00 O ATOM 0 H GLY B 31 20.100 -28.775 20.183 1.00 0.00 H new ATOM 0 HA2 GLY B 31 19.224 -27.988 18.086 1.00 0.00 H new ATOM 0 HA3 GLY B 31 17.877 -29.097 18.246 1.00 0.00 H new ATOM 1316 N CYS B 32 18.445 -26.510 20.243 1.00 0.00 N ATOM 1317 CA CYS B 32 17.792 -25.411 20.945 1.00 0.00 C ATOM 1318 C CYS B 32 18.633 -24.140 20.872 1.00 0.00 C ATOM 1319 O CYS B 32 19.752 -24.152 20.359 1.00 0.00 O ATOM 1320 CB CYS B 32 17.541 -25.785 22.407 1.00 0.00 C ATOM 1321 SG CYS B 32 16.382 -27.172 22.633 1.00 0.00 S ATOM 0 H CYS B 32 19.457 -26.547 20.364 1.00 0.00 H new ATOM 0 HA CYS B 32 16.836 -25.222 20.457 1.00 0.00 H new ATOM 0 HB2 CYS B 32 18.492 -26.041 22.874 1.00 0.00 H new ATOM 0 HB3 CYS B 32 17.153 -24.912 22.932 1.00 0.00 H new ATOM 1326 N CYS B 33 18.083 -23.045 21.385 1.00 0.00 N ATOM 1327 CA CYS B 33 18.778 -21.762 21.374 1.00 0.00 C ATOM 1328 C CYS B 33 19.560 -21.556 22.666 1.00 0.00 C ATOM 1329 O CYS B 33 19.055 -21.814 23.759 1.00 0.00 O ATOM 1330 CB CYS B 33 17.776 -20.623 21.173 1.00 0.00 C ATOM 1331 SG CYS B 33 16.875 -20.706 19.590 1.00 0.00 S ATOM 0 H CYS B 33 17.158 -23.020 21.814 1.00 0.00 H new ATOM 0 HA CYS B 33 19.486 -21.762 20.545 1.00 0.00 H new ATOM 0 HB2 CYS B 33 17.056 -20.636 21.991 1.00 0.00 H new ATOM 0 HB3 CYS B 33 18.305 -19.672 21.230 1.00 0.00 H new ATOM 1336 N PHE B 34 20.805 -21.110 22.531 1.00 0.00 N ATOM 1337 CA PHE B 34 21.684 -20.929 23.681 1.00 0.00 C ATOM 1338 C PHE B 34 21.577 -19.513 24.237 1.00 0.00 C ATOM 1339 O PHE B 34 21.260 -18.570 23.510 1.00 0.00 O ATOM 1340 CB PHE B 34 23.132 -21.228 23.291 1.00 0.00 C ATOM 1341 CG PHE B 34 24.108 -21.048 24.417 1.00 0.00 C ATOM 1342 CD1 PHE B 34 24.691 -19.813 24.654 1.00 0.00 C ATOM 1343 CD2 PHE B 34 24.443 -22.112 25.238 1.00 0.00 C ATOM 1344 CE1 PHE B 34 25.590 -19.643 25.690 1.00 0.00 C ATOM 1345 CE2 PHE B 34 25.342 -21.949 26.275 1.00 0.00 C ATOM 1346 CZ PHE B 34 25.916 -20.713 26.502 1.00 0.00 C ATOM 0 H PHE B 34 21.228 -20.867 21.635 1.00 0.00 H new ATOM 0 HA PHE B 34 21.370 -21.626 24.458 1.00 0.00 H new ATOM 0 HB2 PHE B 34 23.197 -22.253 22.926 1.00 0.00 H new ATOM 0 HB3 PHE B 34 23.419 -20.577 22.465 1.00 0.00 H new ATOM 0 HD1 PHE B 34 24.440 -18.974 24.022 1.00 0.00 H new ATOM 0 HD2 PHE B 34 23.997 -23.080 25.066 1.00 0.00 H new ATOM 0 HE1 PHE B 34 26.037 -18.676 25.865 1.00 0.00 H new ATOM 0 HE2 PHE B 34 25.596 -22.787 26.907 1.00 0.00 H new ATOM 0 HZ PHE B 34 26.618 -20.583 27.312 1.00 0.00 H new ATOM 1356 N ASP B 35 21.854 -19.369 25.529 1.00 0.00 N ATOM 1357 CA ASP B 35 21.810 -18.067 26.183 1.00 0.00 C ATOM 1358 C ASP B 35 22.398 -18.145 27.588 1.00 0.00 C ATOM 1359 O ASP B 35 21.667 -18.225 28.575 1.00 0.00 O ATOM 1360 CB ASP B 35 20.370 -17.554 26.248 1.00 0.00 C ATOM 1361 CG ASP B 35 20.269 -16.200 26.923 1.00 0.00 C ATOM 1362 OD1 ASP B 35 21.106 -15.911 27.803 1.00 0.00 O ATOM 1363 OD2 ASP B 35 19.353 -15.427 26.569 1.00 0.00 O ATOM 0 H ASP B 35 22.112 -20.140 26.145 1.00 0.00 H new ATOM 0 HA ASP B 35 22.410 -17.372 25.595 1.00 0.00 H new ATOM 0 HB2 ASP B 35 19.966 -17.485 25.238 1.00 0.00 H new ATOM 0 HB3 ASP B 35 19.755 -18.273 26.789 1.00 0.00 H new ATOM 1368 N ASP B 36 23.725 -18.126 27.672 1.00 0.00 N ATOM 1369 CA ASP B 36 24.412 -18.203 28.956 1.00 0.00 C ATOM 1370 C ASP B 36 24.642 -16.811 29.534 1.00 0.00 C ATOM 1371 O ASP B 36 25.616 -16.579 30.251 1.00 0.00 O ATOM 1372 CB ASP B 36 25.748 -18.931 28.803 1.00 0.00 C ATOM 1373 CG ASP B 36 26.681 -18.229 27.835 1.00 0.00 C ATOM 1374 OD1 ASP B 36 26.593 -16.987 27.720 1.00 0.00 O ATOM 1375 OD2 ASP B 36 27.500 -18.919 27.193 1.00 0.00 O ATOM 0 H ASP B 36 24.346 -18.058 26.865 1.00 0.00 H new ATOM 0 HA ASP B 36 23.779 -18.763 29.644 1.00 0.00 H new ATOM 0 HB2 ASP B 36 26.230 -19.008 29.777 1.00 0.00 H new ATOM 0 HB3 ASP B 36 25.567 -19.948 28.456 1.00 0.00 H new ATOM 1380 N THR B 37 23.740 -15.888 29.220 1.00 0.00 N ATOM 1381 CA THR B 37 23.845 -14.519 29.709 1.00 0.00 C ATOM 1382 C THR B 37 23.264 -14.392 31.114 1.00 0.00 C ATOM 1383 O THR B 37 23.337 -13.331 31.734 1.00 0.00 O ATOM 1384 CB THR B 37 23.121 -13.531 28.777 1.00 0.00 C ATOM 1385 OG1 THR B 37 21.732 -13.870 28.684 1.00 0.00 O ATOM 1386 CG2 THR B 37 23.744 -13.542 27.389 1.00 0.00 C ATOM 0 H THR B 37 22.928 -16.063 28.629 1.00 0.00 H new ATOM 0 HA THR B 37 24.907 -14.273 29.732 1.00 0.00 H new ATOM 0 HB THR B 37 23.222 -12.530 29.197 1.00 0.00 H new ATOM 0 HG1 THR B 37 21.613 -14.585 28.024 1.00 0.00 H new ATOM 0 HG21 THR B 37 23.216 -12.836 26.748 1.00 0.00 H new ATOM 0 HG22 THR B 37 24.793 -13.254 27.459 1.00 0.00 H new ATOM 0 HG23 THR B 37 23.670 -14.543 26.965 1.00 0.00 H new ATOM 1394 N VAL B 38 22.683 -15.480 31.609 1.00 0.00 N ATOM 1395 CA VAL B 38 22.079 -15.487 32.936 1.00 0.00 C ATOM 1396 C VAL B 38 22.400 -16.776 33.684 1.00 0.00 C ATOM 1397 O VAL B 38 22.184 -17.874 33.170 1.00 0.00 O ATOM 1398 CB VAL B 38 20.550 -15.320 32.857 1.00 0.00 C ATOM 1399 CG1 VAL B 38 19.938 -15.326 34.250 1.00 0.00 C ATOM 1400 CG2 VAL B 38 20.189 -14.042 32.114 1.00 0.00 C ATOM 0 H VAL B 38 22.618 -16.368 31.111 1.00 0.00 H new ATOM 0 HA VAL B 38 22.503 -14.642 33.479 1.00 0.00 H new ATOM 0 HB VAL B 38 20.140 -16.164 32.302 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.857 -15.207 34.173 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.165 -16.271 34.743 1.00 0.00 H new ATOM 0 HG13 VAL B 38 20.353 -14.504 34.833 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.105 -13.942 32.068 1.00 0.00 H new ATOM 0 HG22 VAL B 38 20.611 -13.185 32.638 1.00 0.00 H new ATOM 0 HG23 VAL B 38 20.592 -14.083 31.102 1.00 0.00 H new ATOM 1410 N ARG B 39 22.910 -16.635 34.903 1.00 0.00 N ATOM 1411 CA ARG B 39 23.241 -17.787 35.733 1.00 0.00 C ATOM 1412 C ARG B 39 21.996 -18.338 36.421 1.00 0.00 C ATOM 1413 O ARG B 39 20.891 -17.834 36.223 1.00 0.00 O ATOM 1414 CB ARG B 39 24.288 -17.402 36.780 1.00 0.00 C ATOM 1415 CG ARG B 39 25.616 -16.969 36.180 1.00 0.00 C ATOM 1416 CD ARG B 39 26.261 -18.097 35.393 1.00 0.00 C ATOM 1417 NE ARG B 39 26.533 -19.262 36.231 1.00 0.00 N ATOM 1418 CZ ARG B 39 26.310 -20.515 35.845 1.00 0.00 C ATOM 1419 NH1 ARG B 39 25.815 -20.763 34.641 1.00 0.00 N ATOM 1420 NH2 ARG B 39 26.584 -21.521 36.665 1.00 0.00 N ATOM 0 H ARG B 39 23.103 -15.733 35.338 1.00 0.00 H new ATOM 0 HA ARG B 39 23.650 -18.564 35.087 1.00 0.00 H new ATOM 0 HB2 ARG B 39 23.895 -16.592 37.394 1.00 0.00 H new ATOM 0 HB3 ARG B 39 24.457 -18.251 37.442 1.00 0.00 H new ATOM 0 HG2 ARG B 39 25.460 -16.110 35.527 1.00 0.00 H new ATOM 0 HG3 ARG B 39 26.289 -16.647 36.975 1.00 0.00 H new ATOM 0 HD2 ARG B 39 25.606 -18.386 34.571 1.00 0.00 H new ATOM 0 HD3 ARG B 39 27.192 -17.744 34.950 1.00 0.00 H new ATOM 0 HE ARG B 39 26.915 -19.106 37.164 1.00 0.00 H new ATOM 0 HH11 ARG B 39 25.604 -19.992 34.008 1.00 0.00 H new ATOM 0 HH12 ARG B 39 25.645 -21.725 34.348 1.00 0.00 H new ATOM 0 HH21 ARG B 39 26.966 -21.334 37.592 1.00 0.00 H new ATOM 0 HH22 ARG B 39 26.413 -22.482 36.368 1.00 0.00 H new ATOM 1434 N GLY B 40 22.183 -19.376 37.230 1.00 0.00 N ATOM 1435 CA GLY B 40 21.067 -19.975 37.936 1.00 0.00 C ATOM 1436 C GLY B 40 20.094 -20.668 37.004 1.00 0.00 C ATOM 1437 O GLY B 40 19.478 -21.668 37.370 1.00 0.00 O ATOM 0 H GLY B 40 23.087 -19.812 37.409 1.00 0.00 H new ATOM 0 HA2 GLY B 40 21.445 -20.695 38.662 1.00 0.00 H new ATOM 0 HA3 GLY B 40 20.540 -19.203 38.497 1.00 0.00 H new ATOM 1441 N VAL B 41 19.955 -20.135 35.794 1.00 0.00 N ATOM 1442 CA VAL B 41 19.053 -20.711 34.805 1.00 0.00 C ATOM 1443 C VAL B 41 19.827 -21.474 33.736 1.00 0.00 C ATOM 1444 O VAL B 41 21.019 -21.246 33.536 1.00 0.00 O ATOM 1445 CB VAL B 41 18.197 -19.626 34.125 1.00 0.00 C ATOM 1446 CG1 VAL B 41 17.353 -18.889 35.153 1.00 0.00 C ATOM 1447 CG2 VAL B 41 19.078 -18.657 33.353 1.00 0.00 C ATOM 0 H VAL B 41 20.456 -19.305 35.476 1.00 0.00 H new ATOM 0 HA VAL B 41 18.397 -21.399 35.338 1.00 0.00 H new ATOM 0 HB VAL B 41 17.524 -20.110 33.418 1.00 0.00 H new ATOM 0 HG11 VAL B 41 16.755 -18.126 34.654 1.00 0.00 H new ATOM 0 HG12 VAL B 41 16.693 -19.596 35.656 1.00 0.00 H new ATOM 0 HG13 VAL B 41 18.005 -18.416 35.887 1.00 0.00 H new ATOM 0 HG21 VAL B 41 18.456 -17.898 32.879 1.00 0.00 H new ATOM 0 HG22 VAL B 41 19.778 -18.177 34.037 1.00 0.00 H new ATOM 0 HG23 VAL B 41 19.633 -19.200 32.588 1.00 0.00 H new ATOM 1457 N PRO B 42 19.150 -22.395 33.033 1.00 0.00 N ATOM 1458 CA PRO B 42 19.770 -23.198 31.975 1.00 0.00 C ATOM 1459 C PRO B 42 20.109 -22.367 30.742 1.00 0.00 C ATOM 1460 O PRO B 42 19.314 -21.537 30.305 1.00 0.00 O ATOM 1461 CB PRO B 42 18.697 -24.237 31.643 1.00 0.00 C ATOM 1462 CG PRO B 42 17.411 -23.591 32.029 1.00 0.00 C ATOM 1463 CD PRO B 42 17.725 -22.722 33.216 1.00 0.00 C ATOM 0 HA PRO B 42 20.717 -23.632 32.294 1.00 0.00 H new ATOM 0 HB2 PRO B 42 18.709 -24.493 30.584 1.00 0.00 H new ATOM 0 HB3 PRO B 42 18.857 -25.162 32.197 1.00 0.00 H new ATOM 0 HG2 PRO B 42 17.009 -22.999 31.207 1.00 0.00 H new ATOM 0 HG3 PRO B 42 16.659 -24.339 32.281 1.00 0.00 H new ATOM 0 HD2 PRO B 42 17.106 -21.825 33.232 1.00 0.00 H new ATOM 0 HD3 PRO B 42 17.551 -23.247 34.155 1.00 0.00 H new ATOM 1471 N TRP B 43 21.295 -22.595 30.188 1.00 0.00 N ATOM 1472 CA TRP B 43 21.740 -21.864 29.007 1.00 0.00 C ATOM 1473 C TRP B 43 21.115 -22.442 27.742 1.00 0.00 C ATOM 1474 O TRP B 43 20.831 -21.715 26.791 1.00 0.00 O ATOM 1475 CB TRP B 43 23.265 -21.895 28.905 1.00 0.00 C ATOM 1476 CG TRP B 43 23.947 -21.263 30.080 1.00 0.00 C ATOM 1477 CD1 TRP B 43 23.416 -20.345 30.939 1.00 0.00 C ATOM 1478 CD2 TRP B 43 25.289 -21.499 30.525 1.00 0.00 C ATOM 1479 NE1 TRP B 43 24.343 -19.997 31.892 1.00 0.00 N ATOM 1480 CE2 TRP B 43 25.501 -20.692 31.658 1.00 0.00 C ATOM 1481 CE3 TRP B 43 26.331 -22.315 30.075 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 26.710 -20.677 32.347 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 27.532 -22.299 30.760 1.00 0.00 C ATOM 1484 CH2 TRP B 43 27.712 -21.486 31.885 1.00 0.00 C ATOM 0 H TRP B 43 21.965 -23.280 30.538 1.00 0.00 H new ATOM 0 HA TRP B 43 21.415 -20.828 29.107 1.00 0.00 H new ATOM 0 HB2 TRP B 43 23.596 -22.930 28.814 1.00 0.00 H new ATOM 0 HB3 TRP B 43 23.573 -21.381 27.994 1.00 0.00 H new ATOM 0 HD1 TRP B 43 22.413 -19.949 30.879 1.00 0.00 H new ATOM 0 HE1 TRP B 43 24.194 -19.331 32.650 1.00 0.00 H new ATOM 0 HE3 TRP B 43 26.200 -22.946 29.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 26.852 -20.050 33.215 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 28.345 -22.924 30.421 1.00 0.00 H new ATOM 0 HH2 TRP B 43 28.662 -21.498 32.399 1.00 0.00 H new ATOM 1495 N CYS B 44 20.883 -23.750 27.747 1.00 0.00 N ATOM 1496 CA CYS B 44 20.230 -24.413 26.624 1.00 0.00 C ATOM 1497 C CYS B 44 18.732 -24.538 26.875 1.00 0.00 C ATOM 1498 O CYS B 44 18.304 -25.213 27.811 1.00 0.00 O ATOM 1499 CB CYS B 44 20.840 -25.796 26.393 1.00 0.00 C ATOM 1500 SG CYS B 44 20.133 -26.692 24.972 1.00 0.00 S ATOM 0 H CYS B 44 21.137 -24.372 28.515 1.00 0.00 H new ATOM 0 HA CYS B 44 20.385 -23.807 25.731 1.00 0.00 H new ATOM 0 HB2 CYS B 44 21.914 -25.687 26.243 1.00 0.00 H new ATOM 0 HB3 CYS B 44 20.703 -26.397 27.292 1.00 0.00 H new ATOM 1505 N PHE B 45 17.941 -23.862 26.051 1.00 0.00 N ATOM 1506 CA PHE B 45 16.494 -23.842 26.225 1.00 0.00 C ATOM 1507 C PHE B 45 15.787 -23.788 24.876 1.00 0.00 C ATOM 1508 O PHE B 45 16.426 -23.607 23.839 1.00 0.00 O ATOM 1509 CB PHE B 45 16.087 -22.632 27.066 1.00 0.00 C ATOM 1510 CG PHE B 45 16.429 -21.323 26.416 1.00 0.00 C ATOM 1511 CD1 PHE B 45 17.751 -20.944 26.247 1.00 0.00 C ATOM 1512 CD2 PHE B 45 15.429 -20.476 25.965 1.00 0.00 C ATOM 1513 CE1 PHE B 45 18.070 -19.744 25.640 1.00 0.00 C ATOM 1514 CE2 PHE B 45 15.742 -19.276 25.357 1.00 0.00 C ATOM 1515 CZ PHE B 45 17.064 -18.909 25.194 1.00 0.00 C ATOM 0 H PHE B 45 18.277 -23.320 25.255 1.00 0.00 H new ATOM 0 HA PHE B 45 16.198 -24.758 26.737 1.00 0.00 H new ATOM 0 HB2 PHE B 45 15.013 -22.670 27.251 1.00 0.00 H new ATOM 0 HB3 PHE B 45 16.580 -22.689 28.037 1.00 0.00 H new ATOM 0 HD1 PHE B 45 18.541 -21.594 26.594 1.00 0.00 H new ATOM 0 HD2 PHE B 45 14.394 -20.757 26.090 1.00 0.00 H new ATOM 0 HE1 PHE B 45 19.104 -19.460 25.515 1.00 0.00 H new ATOM 0 HE2 PHE B 45 14.954 -18.625 25.009 1.00 0.00 H new ATOM 0 HZ PHE B 45 17.310 -17.971 24.719 1.00 0.00 H new ATOM 1525 N TYR B 46 14.465 -23.911 24.898 1.00 0.00 N ATOM 1526 CA TYR B 46 13.674 -23.790 23.680 1.00 0.00 C ATOM 1527 C TYR B 46 13.353 -22.327 23.391 1.00 0.00 C ATOM 1528 O TYR B 46 12.953 -21.580 24.284 1.00 0.00 O ATOM 1529 CB TYR B 46 12.379 -24.595 23.804 1.00 0.00 C ATOM 1530 CG TYR B 46 12.604 -26.079 23.991 1.00 0.00 C ATOM 1531 CD1 TYR B 46 12.803 -26.617 25.256 1.00 0.00 C ATOM 1532 CD2 TYR B 46 12.619 -26.942 22.902 1.00 0.00 C ATOM 1533 CE1 TYR B 46 13.010 -27.973 25.431 1.00 0.00 C ATOM 1534 CE2 TYR B 46 12.823 -28.297 23.068 1.00 0.00 C ATOM 1535 CZ TYR B 46 13.019 -28.809 24.333 1.00 0.00 C ATOM 1536 OH TYR B 46 13.224 -30.158 24.503 1.00 0.00 O ATOM 0 H TYR B 46 13.921 -24.093 25.741 1.00 0.00 H new ATOM 0 HA TYR B 46 14.260 -24.188 22.852 1.00 0.00 H new ATOM 0 HB2 TYR B 46 11.804 -24.214 24.648 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.776 -24.437 22.910 1.00 0.00 H new ATOM 0 HD1 TYR B 46 12.796 -25.965 26.117 1.00 0.00 H new ATOM 0 HD2 TYR B 46 12.468 -26.546 21.909 1.00 0.00 H new ATOM 0 HE1 TYR B 46 13.164 -28.376 26.421 1.00 0.00 H new ATOM 0 HE2 TYR B 46 12.829 -28.953 22.210 1.00 0.00 H new ATOM 0 HH TYR B 46 13.200 -30.605 23.631 1.00 0.00 H new ATOM 1546 N PRO B 47 13.537 -21.903 22.134 1.00 0.00 N ATOM 1547 CA PRO B 47 13.316 -20.526 21.713 1.00 0.00 C ATOM 1548 C PRO B 47 11.911 -20.297 21.172 1.00 0.00 C ATOM 1549 O PRO B 47 11.131 -21.239 21.029 1.00 0.00 O ATOM 1550 CB PRO B 47 14.341 -20.378 20.594 1.00 0.00 C ATOM 1551 CG PRO B 47 14.375 -21.727 19.947 1.00 0.00 C ATOM 1552 CD PRO B 47 14.007 -22.735 21.013 1.00 0.00 C ATOM 0 HA PRO B 47 13.417 -19.813 22.531 1.00 0.00 H new ATOM 0 HB2 PRO B 47 14.048 -19.604 19.885 1.00 0.00 H new ATOM 0 HB3 PRO B 47 15.320 -20.099 20.985 1.00 0.00 H new ATOM 0 HG2 PRO B 47 13.674 -21.773 19.113 1.00 0.00 H new ATOM 0 HG3 PRO B 47 15.365 -21.937 19.543 1.00 0.00 H new ATOM 0 HD2 PRO B 47 13.230 -23.417 20.668 1.00 0.00 H new ATOM 0 HD3 PRO B 47 14.863 -23.346 21.299 1.00 0.00 H new