USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 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 10 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 12 TYR OH : rot 144:sc= 0.35 USER MOD Single : A 13 MET CE :methyl 167:sc= 0 (180deg=-0.208) USER MOD Single : A 17 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.12) USER MOD Single : A 18 SER OG : rot -170:sc= 0.386 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.00548 X(o=0.0055,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00331 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.166 (180deg=0.0898) USER MOD Single : A 46 MET CE :methyl 173:sc= -1.08 (180deg=-1.26) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 0.491 (180deg=0.147) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= 0.614 (180deg=0.192) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 0.431 (180deg=0.123) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.333 -0.062 3.725 1.00 0.00 N ATOM 126 CA PRO A 8 -11.482 -1.226 3.856 1.00 0.00 C ATOM 127 C PRO A 8 -10.051 -0.764 3.839 1.00 0.00 C ATOM 128 O PRO A 8 -9.796 0.379 3.470 1.00 0.00 O ATOM 129 CB PRO A 8 -11.812 -2.031 2.594 1.00 0.00 C ATOM 130 CG PRO A 8 -12.110 -0.977 1.527 1.00 0.00 C ATOM 131 CD PRO A 8 -12.751 0.156 2.335 1.00 0.00 C ATOM 0 HA PRO A 8 -11.628 -1.804 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.977 -2.667 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.669 -2.685 2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.203 -0.648 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.784 -1.358 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.420 1.130 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.837 0.135 2.245 1.00 0.00 H new ATOM 139 N LEU A 9 -9.108 -1.636 4.247 1.00 0.00 N ATOM 140 CA LEU A 9 -7.707 -1.317 4.247 1.00 0.00 C ATOM 141 C LEU A 9 -7.061 -2.605 3.845 1.00 0.00 C ATOM 142 O LEU A 9 -7.737 -3.625 3.715 1.00 0.00 O ATOM 143 CB LEU A 9 -7.129 -0.877 5.623 1.00 0.00 C ATOM 144 CG LEU A 9 -7.840 0.345 6.261 1.00 0.00 C ATOM 145 CD1 LEU A 9 -8.963 -0.077 7.231 1.00 0.00 C ATOM 146 CD2 LEU A 9 -6.846 1.297 6.952 1.00 0.00 C ATOM 0 H LEU A 9 -9.319 -2.576 4.582 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.524 -0.465 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.190 -1.718 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.072 -0.642 5.500 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.304 0.892 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.432 0.812 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.710 -0.660 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.542 -0.681 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.388 2.138 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.318 0.762 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.127 1.666 6.220 1.00 0.00 H new ATOM 158 N SER A 10 -5.723 -2.588 3.651 1.00 0.00 N ATOM 159 CA SER A 10 -4.953 -3.789 3.453 1.00 0.00 C ATOM 160 C SER A 10 -4.246 -4.043 4.754 1.00 0.00 C ATOM 161 O SER A 10 -4.228 -3.194 5.645 1.00 0.00 O ATOM 162 CB SER A 10 -3.959 -3.717 2.262 1.00 0.00 C ATOM 163 OG SER A 10 -3.083 -2.600 2.346 1.00 0.00 O ATOM 0 H SER A 10 -5.168 -1.732 3.631 1.00 0.00 H new ATOM 0 HA SER A 10 -5.617 -4.609 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.370 -4.634 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.520 -3.665 1.329 1.00 0.00 H new ATOM 0 HG SER A 10 -2.477 -2.601 1.576 1.00 0.00 H new ATOM 169 N ALA A 11 -3.654 -5.250 4.889 1.00 0.00 N ATOM 170 CA ALA A 11 -3.011 -5.705 6.097 1.00 0.00 C ATOM 171 C ALA A 11 -1.688 -5.013 6.267 1.00 0.00 C ATOM 172 O ALA A 11 -1.249 -4.741 7.383 1.00 0.00 O ATOM 173 CB ALA A 11 -2.763 -7.223 6.050 1.00 0.00 C ATOM 0 H ALA A 11 -3.620 -5.934 4.133 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.671 -5.472 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.277 -7.541 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.714 -7.744 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.121 -7.461 5.201 1.00 0.00 H new ATOM 179 N TYR A 12 -1.038 -4.688 5.126 1.00 0.00 N ATOM 180 CA TYR A 12 0.242 -4.031 5.059 1.00 0.00 C ATOM 181 C TYR A 12 0.107 -2.602 5.532 1.00 0.00 C ATOM 182 O TYR A 12 0.959 -2.111 6.268 1.00 0.00 O ATOM 183 CB TYR A 12 0.799 -4.080 3.604 1.00 0.00 C ATOM 184 CG TYR A 12 2.152 -3.426 3.438 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.173 -3.598 4.390 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.397 -2.601 2.326 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.395 -2.933 4.253 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.620 -1.937 2.183 1.00 0.00 C ATOM 189 CZ TYR A 12 4.618 -2.100 3.152 1.00 0.00 C ATOM 190 OH TYR A 12 5.841 -1.411 3.050 1.00 0.00 O ATOM 0 H TYR A 12 -1.424 -4.894 4.205 1.00 0.00 H new ATOM 0 HA TYR A 12 0.946 -4.550 5.710 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.870 -5.121 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.088 -3.592 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.011 -4.250 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.632 -2.479 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.167 -3.063 4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.794 -1.301 1.328 1.00 0.00 H new ATOM 0 HH TYR A 12 6.112 -1.363 2.109 1.00 0.00 H new ATOM 200 N MET A 13 -0.990 -1.917 5.128 1.00 0.00 N ATOM 201 CA MET A 13 -1.218 -0.508 5.373 1.00 0.00 C ATOM 202 C MET A 13 -1.399 -0.213 6.845 1.00 0.00 C ATOM 203 O MET A 13 -0.994 0.842 7.331 1.00 0.00 O ATOM 204 CB MET A 13 -2.468 -0.012 4.604 1.00 0.00 C ATOM 205 CG MET A 13 -2.495 1.503 4.324 1.00 0.00 C ATOM 206 SD MET A 13 -1.220 2.078 3.150 1.00 0.00 S ATOM 207 CE MET A 13 -1.902 1.366 1.618 1.00 0.00 C ATOM 0 H MET A 13 -1.750 -2.359 4.610 1.00 0.00 H new ATOM 0 HA MET A 13 -0.332 0.019 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.528 -0.544 3.654 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.358 -0.278 5.175 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.477 1.770 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.370 2.036 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.392 1.799 0.757 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.755 0.286 1.622 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.968 1.587 1.557 1.00 0.00 H new ATOM 217 N LEU A 14 -1.996 -1.175 7.589 1.00 0.00 N ATOM 218 CA LEU A 14 -2.262 -1.075 9.007 1.00 0.00 C ATOM 219 C LEU A 14 -0.993 -1.151 9.821 1.00 0.00 C ATOM 220 O LEU A 14 -0.901 -0.561 10.896 1.00 0.00 O ATOM 221 CB LEU A 14 -3.180 -2.216 9.501 1.00 0.00 C ATOM 222 CG LEU A 14 -4.633 -2.139 8.983 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.349 -3.492 9.149 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.427 -1.013 9.672 1.00 0.00 C ATOM 0 H LEU A 14 -2.307 -2.060 7.188 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.747 -0.109 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.749 -3.170 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.195 -2.207 10.591 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.586 -1.903 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.370 -3.411 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.816 -4.257 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.368 -3.767 10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.444 -0.992 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.456 -1.193 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.944 -0.056 9.478 1.00 0.00 H new ATOM 236 N TRP A 15 0.025 -1.883 9.317 1.00 0.00 N ATOM 237 CA TRP A 15 1.269 -2.092 10.016 1.00 0.00 C ATOM 238 C TRP A 15 2.150 -0.866 9.904 1.00 0.00 C ATOM 239 O TRP A 15 2.965 -0.607 10.788 1.00 0.00 O ATOM 240 CB TRP A 15 2.007 -3.348 9.487 1.00 0.00 C ATOM 241 CG TRP A 15 3.345 -3.650 10.146 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.616 -4.227 11.356 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.603 -3.197 9.621 1.00 0.00 C ATOM 244 NE1 TRP A 15 4.968 -4.180 11.615 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.593 -3.533 10.571 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.926 -2.518 8.451 1.00 0.00 C ATOM 247 CZ2 TRP A 15 6.923 -3.183 10.367 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.262 -2.147 8.259 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.246 -2.468 9.204 1.00 0.00 C ATOM 0 H TRP A 15 -0.014 -2.340 8.406 1.00 0.00 H new ATOM 0 HA TRP A 15 1.040 -2.261 11.068 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.355 -4.212 9.616 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.169 -3.228 8.416 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.876 -4.658 12.014 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.429 -4.560 12.441 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.171 -2.285 7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.685 -3.454 11.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.539 -1.604 7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.267 -2.161 9.034 1.00 0.00 H new ATOM 260 N LEU A 16 1.996 -0.070 8.820 1.00 0.00 N ATOM 261 CA LEU A 16 2.825 1.087 8.560 1.00 0.00 C ATOM 262 C LEU A 16 2.600 2.184 9.569 1.00 0.00 C ATOM 263 O LEU A 16 3.545 2.882 9.931 1.00 0.00 O ATOM 264 CB LEU A 16 2.593 1.679 7.146 1.00 0.00 C ATOM 265 CG LEU A 16 3.011 0.733 5.993 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.553 1.274 4.624 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.525 0.450 5.984 1.00 0.00 C ATOM 0 H LEU A 16 1.283 -0.230 8.108 1.00 0.00 H new ATOM 0 HA LEU A 16 3.850 0.723 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.537 1.926 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.150 2.612 7.058 1.00 0.00 H new ATOM 0 HG LEU A 16 2.504 -0.215 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.863 0.585 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.467 1.369 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.004 2.251 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.765 -0.218 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.070 1.387 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.813 -0.019 6.925 1.00 0.00 H new ATOM 279 N ASN A 17 1.348 2.351 10.062 1.00 0.00 N ATOM 280 CA ASN A 17 1.018 3.400 11.004 1.00 0.00 C ATOM 281 C ASN A 17 1.367 3.014 12.423 1.00 0.00 C ATOM 282 O ASN A 17 1.565 3.892 13.263 1.00 0.00 O ATOM 283 CB ASN A 17 -0.456 3.893 10.922 1.00 0.00 C ATOM 284 CG ASN A 17 -1.495 2.778 11.123 1.00 0.00 C ATOM 285 OD1 ASN A 17 -1.697 2.291 12.242 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.179 2.386 10.007 1.00 0.00 N ATOM 0 H ASN A 17 0.558 1.757 9.808 1.00 0.00 H new ATOM 0 HA ASN A 17 1.639 4.244 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.614 4.664 11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.620 4.359 9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.893 1.661 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.976 2.819 9.106 1.00 0.00 H new ATOM 293 N SER A 18 1.466 1.698 12.729 1.00 0.00 N ATOM 294 CA SER A 18 1.755 1.232 14.068 1.00 0.00 C ATOM 295 C SER A 18 3.244 1.267 14.312 1.00 0.00 C ATOM 296 O SER A 18 3.691 1.645 15.394 1.00 0.00 O ATOM 297 CB SER A 18 1.178 -0.178 14.371 1.00 0.00 C ATOM 298 OG SER A 18 1.592 -1.161 13.431 1.00 0.00 O ATOM 0 H SER A 18 1.345 0.950 12.046 1.00 0.00 H new ATOM 0 HA SER A 18 1.253 1.912 14.756 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.489 -0.485 15.370 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.089 -0.125 14.378 1.00 0.00 H new ATOM 0 HG SER A 18 1.082 -1.985 13.574 1.00 0.00 H new ATOM 304 N ALA A 19 4.047 0.889 13.289 1.00 0.00 N ATOM 305 CA ALA A 19 5.487 0.817 13.380 1.00 0.00 C ATOM 306 C ALA A 19 6.122 2.128 12.987 1.00 0.00 C ATOM 307 O ALA A 19 7.342 2.214 12.870 1.00 0.00 O ATOM 308 CB ALA A 19 6.046 -0.277 12.447 1.00 0.00 C ATOM 0 H ALA A 19 3.686 0.626 12.372 1.00 0.00 H new ATOM 0 HA ALA A 19 5.726 0.583 14.417 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.132 -0.310 12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.629 -1.244 12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.772 -0.051 11.416 1.00 0.00 H new ATOM 314 N ARG A 20 5.299 3.189 12.789 1.00 0.00 N ATOM 315 CA ARG A 20 5.679 4.478 12.249 1.00 0.00 C ATOM 316 C ARG A 20 6.719 5.165 13.093 1.00 0.00 C ATOM 317 O ARG A 20 7.687 5.709 12.563 1.00 0.00 O ATOM 318 CB ARG A 20 4.437 5.399 12.113 1.00 0.00 C ATOM 319 CG ARG A 20 4.486 6.465 10.997 1.00 0.00 C ATOM 320 CD ARG A 20 5.301 7.729 11.309 1.00 0.00 C ATOM 321 NE ARG A 20 5.130 8.698 10.174 1.00 0.00 N ATOM 322 CZ ARG A 20 5.714 9.935 10.162 1.00 0.00 C ATOM 323 NH1 ARG A 20 6.564 10.314 11.160 1.00 0.00 N ATOM 324 NH2 ARG A 20 5.441 10.802 9.142 1.00 0.00 N ATOM 0 H ARG A 20 4.306 3.145 13.020 1.00 0.00 H new ATOM 0 HA ARG A 20 6.111 4.292 11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.563 4.770 11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.285 5.909 13.064 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.897 6.004 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.464 6.764 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.963 8.177 12.244 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.354 7.479 11.438 1.00 0.00 H new ATOM 0 HE ARG A 20 4.554 8.422 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.770 9.672 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.994 11.239 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.804 10.526 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.874 11.726 9.128 1.00 0.00 H new ATOM 338 N GLU A 21 6.542 5.140 14.437 1.00 0.00 N ATOM 339 CA GLU A 21 7.369 5.869 15.371 1.00 0.00 C ATOM 340 C GLU A 21 8.763 5.311 15.479 1.00 0.00 C ATOM 341 O GLU A 21 9.689 6.034 15.842 1.00 0.00 O ATOM 342 CB GLU A 21 6.768 5.933 16.791 1.00 0.00 C ATOM 343 CG GLU A 21 5.400 6.635 16.821 1.00 0.00 C ATOM 344 CD GLU A 21 4.971 6.829 18.273 1.00 0.00 C ATOM 345 OE1 GLU A 21 4.752 5.801 18.968 1.00 0.00 O ATOM 346 OE2 GLU A 21 4.866 8.007 18.706 1.00 0.00 O ATOM 0 H GLU A 21 5.804 4.599 14.887 1.00 0.00 H new ATOM 0 HA GLU A 21 7.412 6.875 14.954 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.662 4.921 17.183 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.458 6.460 17.450 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.460 7.598 16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.660 6.040 16.286 1.00 0.00 H new ATOM 353 N SER A 22 8.952 4.014 15.142 1.00 0.00 N ATOM 354 CA SER A 22 10.249 3.382 15.134 1.00 0.00 C ATOM 355 C SER A 22 10.986 3.810 13.894 1.00 0.00 C ATOM 356 O SER A 22 12.142 4.220 13.959 1.00 0.00 O ATOM 357 CB SER A 22 10.158 1.839 15.135 1.00 0.00 C ATOM 358 OG SER A 22 9.436 1.389 16.276 1.00 0.00 O ATOM 0 H SER A 22 8.191 3.392 14.870 1.00 0.00 H new ATOM 0 HA SER A 22 10.769 3.688 16.042 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.665 1.496 14.225 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.159 1.409 15.136 1.00 0.00 H new ATOM 0 HG SER A 22 9.383 0.410 16.265 1.00 0.00 H new ATOM 364 N ILE A 23 10.296 3.742 12.732 1.00 0.00 N ATOM 365 CA ILE A 23 10.841 3.943 11.408 1.00 0.00 C ATOM 366 C ILE A 23 11.346 5.360 11.223 1.00 0.00 C ATOM 367 O ILE A 23 12.387 5.554 10.598 1.00 0.00 O ATOM 368 CB ILE A 23 9.821 3.538 10.339 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.568 2.008 10.422 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.286 3.946 8.923 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.371 1.519 9.598 1.00 0.00 C ATOM 0 H ILE A 23 9.298 3.534 12.713 1.00 0.00 H new ATOM 0 HA ILE A 23 11.708 3.293 11.291 1.00 0.00 H new ATOM 0 HB ILE A 23 8.888 4.068 10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.463 1.485 10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.412 1.734 11.465 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.537 3.642 8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.417 5.027 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.233 3.457 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.267 0.440 9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.463 2.011 9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.531 1.758 8.547 1.00 0.00 H new ATOM 383 N LYS A 24 10.651 6.382 11.784 1.00 0.00 N ATOM 384 CA LYS A 24 11.039 7.773 11.631 1.00 0.00 C ATOM 385 C LYS A 24 12.298 8.126 12.394 1.00 0.00 C ATOM 386 O LYS A 24 12.960 9.107 12.061 1.00 0.00 O ATOM 387 CB LYS A 24 9.941 8.786 12.052 1.00 0.00 C ATOM 388 CG LYS A 24 9.412 8.613 13.488 1.00 0.00 C ATOM 389 CD LYS A 24 8.905 9.917 14.126 1.00 0.00 C ATOM 390 CE LYS A 24 8.403 9.711 15.564 1.00 0.00 C ATOM 391 NZ LYS A 24 8.045 10.998 16.205 1.00 0.00 N ATOM 0 H LYS A 24 9.813 6.247 12.349 1.00 0.00 H new ATOM 0 HA LYS A 24 11.213 7.861 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.339 9.795 11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.104 8.700 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.601 7.884 13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.206 8.200 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.708 10.654 14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.098 10.326 13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.534 9.053 15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.174 9.213 16.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.710 10.822 17.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.881 11.616 16.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.292 11.461 15.657 1.00 0.00 H new ATOM 405 N ARG A 25 12.650 7.343 13.441 1.00 0.00 N ATOM 406 CA ARG A 25 13.804 7.602 14.270 1.00 0.00 C ATOM 407 C ARG A 25 15.000 6.920 13.674 1.00 0.00 C ATOM 408 O ARG A 25 16.083 7.500 13.609 1.00 0.00 O ATOM 409 CB ARG A 25 13.630 7.076 15.713 1.00 0.00 C ATOM 410 CG ARG A 25 12.539 7.823 16.499 1.00 0.00 C ATOM 411 CD ARG A 25 12.289 7.243 17.900 1.00 0.00 C ATOM 412 NE ARG A 25 13.553 7.354 18.708 1.00 0.00 N ATOM 413 CZ ARG A 25 13.909 6.464 19.687 1.00 0.00 C ATOM 414 NH1 ARG A 25 13.114 5.400 19.996 1.00 0.00 N ATOM 415 NH2 ARG A 25 15.082 6.648 20.363 1.00 0.00 N ATOM 0 H ARG A 25 12.125 6.514 13.719 1.00 0.00 H new ATOM 0 HA ARG A 25 13.931 8.684 14.312 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.383 6.015 15.679 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.578 7.166 16.243 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.823 8.871 16.593 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.609 7.795 15.931 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.479 7.782 18.392 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.979 6.200 17.826 1.00 0.00 H new ATOM 0 HE ARG A 25 14.180 8.135 18.516 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.237 5.256 19.495 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.396 4.748 20.728 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.682 7.441 20.137 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.358 5.992 21.094 1.00 0.00 H new ATOM 429 N GLU A 26 14.820 5.653 13.232 1.00 0.00 N ATOM 430 CA GLU A 26 15.878 4.807 12.734 1.00 0.00 C ATOM 431 C GLU A 26 16.354 5.290 11.391 1.00 0.00 C ATOM 432 O GLU A 26 17.556 5.413 11.162 1.00 0.00 O ATOM 433 CB GLU A 26 15.415 3.339 12.593 1.00 0.00 C ATOM 434 CG GLU A 26 15.103 2.684 13.951 1.00 0.00 C ATOM 435 CD GLU A 26 14.499 1.300 13.724 1.00 0.00 C ATOM 436 OE1 GLU A 26 13.372 1.231 13.162 1.00 0.00 O ATOM 437 OE2 GLU A 26 15.153 0.296 14.112 1.00 0.00 O ATOM 0 H GLU A 26 13.906 5.200 13.220 1.00 0.00 H new ATOM 0 HA GLU A 26 16.691 4.855 13.459 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.527 3.301 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.190 2.764 12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.014 2.602 14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.409 3.307 14.516 1.00 0.00 H new ATOM 444 N ASN A 27 15.405 5.587 10.475 1.00 0.00 N ATOM 445 CA ASN A 27 15.712 6.064 9.149 1.00 0.00 C ATOM 446 C ASN A 27 15.632 7.573 9.216 1.00 0.00 C ATOM 447 O ASN A 27 14.742 8.072 9.902 1.00 0.00 O ATOM 448 CB ASN A 27 14.710 5.579 8.076 1.00 0.00 C ATOM 449 CG ASN A 27 14.780 4.055 7.908 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.531 3.555 7.063 1.00 0.00 O ATOM 451 ND2 ASN A 27 13.969 3.314 8.721 1.00 0.00 N ATOM 0 H ASN A 27 14.406 5.495 10.657 1.00 0.00 H new ATOM 0 HA ASN A 27 16.692 5.685 8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 27 13.699 5.871 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 27 14.928 6.064 7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.965 2.297 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.368 3.778 9.402 1.00 0.00 H new ATOM 458 N PRO A 28 16.514 8.344 8.581 1.00 0.00 N ATOM 459 CA PRO A 28 16.688 9.759 8.883 1.00 0.00 C ATOM 460 C PRO A 28 15.670 10.641 8.184 1.00 0.00 C ATOM 461 O PRO A 28 15.959 11.144 7.098 1.00 0.00 O ATOM 462 CB PRO A 28 18.112 10.061 8.374 1.00 0.00 C ATOM 463 CG PRO A 28 18.340 9.058 7.238 1.00 0.00 C ATOM 464 CD PRO A 28 17.598 7.824 7.743 1.00 0.00 C ATOM 0 HA PRO A 28 16.546 9.965 9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.196 11.088 8.018 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.850 9.937 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.936 9.417 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.400 8.859 7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.207 7.233 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.260 7.173 8.314 1.00 0.00 H new ATOM 472 N GLY A 29 14.484 10.877 8.802 1.00 0.00 N ATOM 473 CA GLY A 29 13.522 11.859 8.339 1.00 0.00 C ATOM 474 C GLY A 29 12.850 11.402 7.078 1.00 0.00 C ATOM 475 O GLY A 29 12.781 12.133 6.089 1.00 0.00 O ATOM 0 H GLY A 29 14.185 10.378 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.773 12.032 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.024 12.810 8.163 1.00 0.00 H new ATOM 479 N ILE A 30 12.366 10.146 7.101 1.00 0.00 N ATOM 480 CA ILE A 30 11.969 9.394 5.942 1.00 0.00 C ATOM 481 C ILE A 30 10.521 9.699 5.592 1.00 0.00 C ATOM 482 O ILE A 30 9.682 9.859 6.478 1.00 0.00 O ATOM 483 CB ILE A 30 12.251 7.913 6.207 1.00 0.00 C ATOM 484 CG1 ILE A 30 12.090 7.042 4.945 1.00 0.00 C ATOM 485 CG2 ILE A 30 11.444 7.406 7.426 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.586 5.599 5.102 1.00 0.00 C ATOM 0 H ILE A 30 12.244 9.626 7.970 1.00 0.00 H new ATOM 0 HA ILE A 30 12.546 9.680 5.063 1.00 0.00 H new ATOM 0 HB ILE A 30 13.304 7.816 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.037 7.023 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.631 7.512 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.662 6.351 7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.723 7.979 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.378 7.530 7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.435 5.059 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.647 5.604 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.029 5.108 5.900 1.00 0.00 H new ATOM 498 N LYS A 31 10.209 9.822 4.273 1.00 0.00 N ATOM 499 CA LYS A 31 8.874 10.101 3.772 1.00 0.00 C ATOM 500 C LYS A 31 8.219 8.781 3.474 1.00 0.00 C ATOM 501 O LYS A 31 8.888 7.760 3.370 1.00 0.00 O ATOM 502 CB LYS A 31 8.850 10.969 2.483 1.00 0.00 C ATOM 503 CG LYS A 31 8.756 12.487 2.731 1.00 0.00 C ATOM 504 CD LYS A 31 9.965 13.124 3.434 1.00 0.00 C ATOM 505 CE LYS A 31 9.792 14.640 3.613 1.00 0.00 C ATOM 506 NZ LYS A 31 10.963 15.239 4.295 1.00 0.00 N ATOM 0 H LYS A 31 10.904 9.725 3.532 1.00 0.00 H new ATOM 0 HA LYS A 31 8.350 10.674 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.752 10.764 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.003 10.662 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.613 12.985 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.866 12.684 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.105 12.657 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.867 12.928 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.656 15.110 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.890 14.839 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.816 16.263 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.077 14.806 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.819 15.069 3.729 1.00 0.00 H new ATOM 520 N VAL A 32 6.868 8.783 3.337 1.00 0.00 N ATOM 521 CA VAL A 32 6.025 7.603 3.335 1.00 0.00 C ATOM 522 C VAL A 32 6.217 6.708 2.130 1.00 0.00 C ATOM 523 O VAL A 32 5.897 5.522 2.181 1.00 0.00 O ATOM 524 CB VAL A 32 4.546 7.944 3.478 1.00 0.00 C ATOM 525 CG1 VAL A 32 4.336 8.651 4.836 1.00 0.00 C ATOM 526 CG2 VAL A 32 4.049 8.800 2.292 1.00 0.00 C ATOM 0 H VAL A 32 6.337 9.646 3.222 1.00 0.00 H new ATOM 0 HA VAL A 32 6.353 7.045 4.212 1.00 0.00 H new ATOM 0 HB VAL A 32 3.952 7.030 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.282 8.903 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.645 7.987 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.933 9.563 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.991 9.026 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.616 9.730 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.189 8.249 1.362 1.00 0.00 H new ATOM 536 N THR A 33 6.769 7.253 1.022 1.00 0.00 N ATOM 537 CA THR A 33 7.017 6.534 -0.207 1.00 0.00 C ATOM 538 C THR A 33 8.265 5.687 -0.066 1.00 0.00 C ATOM 539 O THR A 33 8.439 4.684 -0.757 1.00 0.00 O ATOM 540 CB THR A 33 7.156 7.492 -1.385 1.00 0.00 C ATOM 541 OG1 THR A 33 8.110 8.518 -1.116 1.00 0.00 O ATOM 542 CG2 THR A 33 5.782 8.144 -1.649 1.00 0.00 C ATOM 0 H THR A 33 7.055 8.231 0.977 1.00 0.00 H new ATOM 0 HA THR A 33 6.164 5.884 -0.403 1.00 0.00 H new ATOM 0 HB THR A 33 7.499 6.928 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.177 9.114 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.862 8.833 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.051 7.370 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.462 8.690 -0.761 1.00 0.00 H new ATOM 550 N GLU A 34 9.160 6.091 0.860 1.00 0.00 N ATOM 551 CA GLU A 34 10.413 5.446 1.144 1.00 0.00 C ATOM 552 C GLU A 34 10.221 4.476 2.283 1.00 0.00 C ATOM 553 O GLU A 34 10.942 3.486 2.386 1.00 0.00 O ATOM 554 CB GLU A 34 11.483 6.480 1.537 1.00 0.00 C ATOM 555 CG GLU A 34 11.723 7.569 0.477 1.00 0.00 C ATOM 556 CD GLU A 34 12.673 8.602 1.075 1.00 0.00 C ATOM 557 OE1 GLU A 34 13.887 8.288 1.195 1.00 0.00 O ATOM 558 OE2 GLU A 34 12.193 9.708 1.441 1.00 0.00 O ATOM 0 H GLU A 34 9.001 6.913 1.443 1.00 0.00 H new ATOM 0 HA GLU A 34 10.747 4.921 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.187 6.957 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.422 5.961 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.151 7.135 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.781 8.037 0.190 1.00 0.00 H new ATOM 565 N VAL A 35 9.199 4.726 3.144 1.00 0.00 N ATOM 566 CA VAL A 35 8.767 3.842 4.210 1.00 0.00 C ATOM 567 C VAL A 35 8.110 2.630 3.589 1.00 0.00 C ATOM 568 O VAL A 35 8.148 1.540 4.154 1.00 0.00 O ATOM 569 CB VAL A 35 7.813 4.535 5.188 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.186 3.558 6.206 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.591 5.628 5.942 1.00 0.00 C ATOM 0 H VAL A 35 8.648 5.583 3.096 1.00 0.00 H new ATOM 0 HA VAL A 35 9.639 3.543 4.792 1.00 0.00 H new ATOM 0 HB VAL A 35 6.994 4.960 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.520 4.105 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.620 2.793 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.975 3.085 6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.925 6.131 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.418 5.175 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.982 6.354 5.229 1.00 0.00 H new ATOM 581 N ALA A 36 7.533 2.782 2.373 1.00 0.00 N ATOM 582 CA ALA A 36 6.943 1.694 1.628 1.00 0.00 C ATOM 583 C ALA A 36 7.986 0.693 1.190 1.00 0.00 C ATOM 584 O ALA A 36 7.697 -0.495 1.089 1.00 0.00 O ATOM 585 CB ALA A 36 6.190 2.176 0.374 1.00 0.00 C ATOM 0 H ALA A 36 7.474 3.681 1.895 1.00 0.00 H new ATOM 0 HA ALA A 36 6.235 1.226 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.767 1.318 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.388 2.853 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.881 2.698 -0.287 1.00 0.00 H new ATOM 591 N LYS A 37 9.235 1.149 0.942 1.00 0.00 N ATOM 592 CA LYS A 37 10.313 0.293 0.504 1.00 0.00 C ATOM 593 C LYS A 37 10.941 -0.418 1.678 1.00 0.00 C ATOM 594 O LYS A 37 11.063 -1.642 1.662 1.00 0.00 O ATOM 595 CB LYS A 37 11.398 1.065 -0.280 1.00 0.00 C ATOM 596 CG LYS A 37 10.873 1.589 -1.631 1.00 0.00 C ATOM 597 CD LYS A 37 11.942 2.302 -2.479 1.00 0.00 C ATOM 598 CE LYS A 37 12.241 3.749 -2.055 1.00 0.00 C ATOM 599 NZ LYS A 37 11.096 4.645 -2.348 1.00 0.00 N ATOM 0 H LYS A 37 9.504 2.127 1.046 1.00 0.00 H new ATOM 0 HA LYS A 37 9.874 -0.440 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.752 1.903 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.254 0.412 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.468 0.753 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.049 2.279 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.866 1.726 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.619 2.303 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.465 3.779 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.128 4.107 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.370 5.631 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.823 4.544 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.291 4.389 -1.742 1.00 0.00 H new ATOM 613 N ARG A 38 11.353 0.327 2.736 1.00 0.00 N ATOM 614 CA ARG A 38 12.082 -0.234 3.860 1.00 0.00 C ATOM 615 C ARG A 38 11.191 -1.035 4.770 1.00 0.00 C ATOM 616 O ARG A 38 11.638 -1.995 5.395 1.00 0.00 O ATOM 617 CB ARG A 38 12.801 0.840 4.720 1.00 0.00 C ATOM 618 CG ARG A 38 13.981 1.533 4.008 1.00 0.00 C ATOM 619 CD ARG A 38 15.089 0.536 3.629 1.00 0.00 C ATOM 620 NE ARG A 38 16.260 1.231 3.001 1.00 0.00 N ATOM 621 CZ ARG A 38 17.276 0.518 2.420 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.204 -0.843 2.315 1.00 0.00 N ATOM 623 NH2 ARG A 38 18.377 1.171 1.942 1.00 0.00 N ATOM 0 H ARG A 38 11.181 1.329 2.816 1.00 0.00 H new ATOM 0 HA ARG A 38 12.831 -0.881 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.075 1.597 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.167 0.372 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.620 2.033 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.394 2.305 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.417 -0.001 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.691 -0.207 2.937 1.00 0.00 H new ATOM 0 HE ARG A 38 16.301 2.250 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.387 -1.339 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.967 -1.362 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.441 2.186 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.135 0.643 1.509 1.00 0.00 H new ATOM 637 N GLY A 39 9.892 -0.675 4.844 1.00 0.00 N ATOM 638 CA GLY A 39 8.926 -1.362 5.666 1.00 0.00 C ATOM 639 C GLY A 39 8.410 -2.588 4.973 1.00 0.00 C ATOM 640 O GLY A 39 7.762 -3.424 5.597 1.00 0.00 O ATOM 0 H GLY A 39 9.501 0.110 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.383 -1.641 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.097 -0.693 5.896 1.00 0.00 H new ATOM 644 N GLY A 40 8.707 -2.734 3.659 1.00 0.00 N ATOM 645 CA GLY A 40 8.304 -3.870 2.865 1.00 0.00 C ATOM 646 C GLY A 40 9.199 -5.038 3.148 1.00 0.00 C ATOM 647 O GLY A 40 8.792 -6.187 2.990 1.00 0.00 O ATOM 0 H GLY A 40 9.242 -2.043 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.270 -4.132 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.347 -3.617 1.806 1.00 0.00 H new ATOM 651 N GLU A 41 10.447 -4.761 3.603 1.00 0.00 N ATOM 652 CA GLU A 41 11.419 -5.761 3.977 1.00 0.00 C ATOM 653 C GLU A 41 11.020 -6.383 5.291 1.00 0.00 C ATOM 654 O GLU A 41 11.127 -7.595 5.474 1.00 0.00 O ATOM 655 CB GLU A 41 12.841 -5.171 4.152 1.00 0.00 C ATOM 656 CG GLU A 41 13.379 -4.471 2.888 1.00 0.00 C ATOM 657 CD GLU A 41 14.796 -3.960 3.147 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.692 -4.808 3.407 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.007 -2.719 3.087 1.00 0.00 O ATOM 0 H GLU A 41 10.791 -3.807 3.714 1.00 0.00 H new ATOM 0 HA GLU A 41 11.441 -6.495 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.830 -4.457 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.525 -5.972 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.380 -5.166 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.727 -3.641 2.614 1.00 0.00 H new ATOM 666 N LEU A 42 10.529 -5.542 6.232 1.00 0.00 N ATOM 667 CA LEU A 42 10.147 -5.947 7.565 1.00 0.00 C ATOM 668 C LEU A 42 8.816 -6.648 7.549 1.00 0.00 C ATOM 669 O LEU A 42 8.578 -7.521 8.377 1.00 0.00 O ATOM 670 CB LEU A 42 10.032 -4.746 8.533 1.00 0.00 C ATOM 671 CG LEU A 42 11.386 -4.098 8.909 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.169 -2.729 9.585 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.244 -5.017 9.803 1.00 0.00 C ATOM 0 H LEU A 42 10.393 -4.546 6.061 1.00 0.00 H new ATOM 0 HA LEU A 42 10.934 -6.616 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.394 -3.988 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.535 -5.076 9.445 1.00 0.00 H new ATOM 0 HG LEU A 42 11.937 -3.946 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.134 -2.292 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.640 -2.065 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.579 -2.861 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.184 -4.519 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.705 -5.234 10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.450 -5.949 9.276 1.00 0.00 H new ATOM 685 N TRP A 43 7.919 -6.297 6.596 1.00 0.00 N ATOM 686 CA TRP A 43 6.627 -6.931 6.454 1.00 0.00 C ATOM 687 C TRP A 43 6.794 -8.339 5.942 1.00 0.00 C ATOM 688 O TRP A 43 6.059 -9.237 6.352 1.00 0.00 O ATOM 689 CB TRP A 43 5.671 -6.153 5.502 1.00 0.00 C ATOM 690 CG TRP A 43 4.334 -6.827 5.193 1.00 0.00 C ATOM 691 CD1 TRP A 43 4.020 -7.596 4.108 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.185 -6.870 6.061 1.00 0.00 C ATOM 693 NE1 TRP A 43 2.753 -8.114 4.237 1.00 0.00 N ATOM 694 CE2 TRP A 43 2.218 -7.681 5.426 1.00 0.00 C ATOM 695 CE3 TRP A 43 2.936 -6.297 7.302 1.00 0.00 C ATOM 696 CZ2 TRP A 43 0.988 -7.930 6.020 1.00 0.00 C ATOM 697 CZ3 TRP A 43 1.705 -6.575 7.915 1.00 0.00 C ATOM 698 CH2 TRP A 43 0.743 -7.371 7.280 1.00 0.00 C ATOM 0 H TRP A 43 8.092 -5.561 5.911 1.00 0.00 H new ATOM 0 HA TRP A 43 6.173 -6.936 7.445 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.469 -5.176 5.942 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.192 -5.977 4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.675 -7.772 3.267 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.287 -8.720 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.665 -5.659 7.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.243 -8.536 5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.495 -6.168 8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.202 -7.556 7.770 1.00 0.00 H new ATOM 709 N ARG A 44 7.768 -8.543 5.024 1.00 0.00 N ATOM 710 CA ARG A 44 7.983 -9.780 4.309 1.00 0.00 C ATOM 711 C ARG A 44 8.264 -10.915 5.258 1.00 0.00 C ATOM 712 O ARG A 44 7.556 -11.922 5.249 1.00 0.00 O ATOM 713 CB ARG A 44 9.141 -9.647 3.293 1.00 0.00 C ATOM 714 CG ARG A 44 9.225 -10.797 2.279 1.00 0.00 C ATOM 715 CD ARG A 44 10.340 -10.576 1.247 1.00 0.00 C ATOM 716 NE ARG A 44 10.266 -11.635 0.183 1.00 0.00 N ATOM 717 CZ ARG A 44 9.504 -11.516 -0.949 1.00 0.00 C ATOM 718 NH1 ARG A 44 8.683 -10.442 -1.140 1.00 0.00 N ATOM 719 NH2 ARG A 44 9.569 -12.491 -1.904 1.00 0.00 N ATOM 0 H ARG A 44 8.436 -7.816 4.767 1.00 0.00 H new ATOM 0 HA ARG A 44 7.065 -10.000 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.028 -8.708 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.083 -9.589 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.401 -11.734 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.269 -10.896 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.241 -9.588 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.313 -10.607 1.737 1.00 0.00 H new ATOM 0 HE ARG A 44 10.812 -12.487 0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.629 -9.709 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.124 -10.372 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.180 -13.296 -1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.006 -12.413 -2.751 1.00 0.00 H new ATOM 733 N ALA A 45 9.285 -10.744 6.129 1.00 0.00 N ATOM 734 CA ALA A 45 9.583 -11.682 7.178 1.00 0.00 C ATOM 735 C ALA A 45 9.431 -10.928 8.464 1.00 0.00 C ATOM 736 O ALA A 45 10.233 -10.049 8.773 1.00 0.00 O ATOM 737 CB ALA A 45 11.015 -12.244 7.098 1.00 0.00 C ATOM 0 H ALA A 45 9.914 -9.941 6.104 1.00 0.00 H new ATOM 0 HA ALA A 45 8.912 -12.537 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.177 -12.945 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.151 -12.759 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.732 -11.426 7.174 1.00 0.00 H new ATOM 743 N MET A 46 8.379 -11.271 9.241 1.00 0.00 N ATOM 744 CA MET A 46 8.150 -10.737 10.557 1.00 0.00 C ATOM 745 C MET A 46 7.797 -11.923 11.409 1.00 0.00 C ATOM 746 O MET A 46 8.185 -13.050 11.105 1.00 0.00 O ATOM 747 CB MET A 46 7.033 -9.661 10.616 1.00 0.00 C ATOM 748 CG MET A 46 5.673 -10.077 10.022 1.00 0.00 C ATOM 749 SD MET A 46 4.287 -9.075 10.643 1.00 0.00 S ATOM 750 CE MET A 46 4.781 -7.479 9.945 1.00 0.00 C ATOM 0 H MET A 46 7.667 -11.939 8.945 1.00 0.00 H new ATOM 0 HA MET A 46 9.041 -10.214 10.904 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.882 -9.377 11.657 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.382 -8.772 10.090 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.716 -9.993 8.936 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.488 -11.126 10.253 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.989 -6.749 10.111 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.696 -7.138 10.429 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.956 -7.588 8.875 1.00 0.00 H new ATOM 760 N LYS A 47 7.040 -11.683 12.507 1.00 0.00 N ATOM 761 CA LYS A 47 6.549 -12.688 13.407 1.00 0.00 C ATOM 762 C LYS A 47 5.211 -13.133 12.857 1.00 0.00 C ATOM 763 O LYS A 47 5.171 -13.905 11.900 1.00 0.00 O ATOM 764 CB LYS A 47 6.466 -12.129 14.854 1.00 0.00 C ATOM 765 CG LYS A 47 6.289 -13.181 15.962 1.00 0.00 C ATOM 766 CD LYS A 47 7.530 -14.067 16.159 1.00 0.00 C ATOM 767 CE LYS A 47 7.409 -15.016 17.359 1.00 0.00 C ATOM 768 NZ LYS A 47 8.656 -15.795 17.543 1.00 0.00 N ATOM 0 H LYS A 47 6.759 -10.740 12.777 1.00 0.00 H new ATOM 0 HA LYS A 47 7.217 -13.547 13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.374 -11.561 15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.633 -11.428 14.907 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.058 -12.676 16.900 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.434 -13.813 15.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.697 -14.653 15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.405 -13.431 16.293 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.197 -14.443 18.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.570 -15.695 17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.551 -16.430 18.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.843 -16.358 16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.450 -15.145 17.710 1.00 0.00 H new ATOM 782 N ASP A 48 4.086 -12.636 13.424 1.00 0.00 N ATOM 783 CA ASP A 48 2.754 -12.936 12.952 1.00 0.00 C ATOM 784 C ASP A 48 2.193 -11.636 12.461 1.00 0.00 C ATOM 785 O ASP A 48 2.370 -10.597 13.096 1.00 0.00 O ATOM 786 CB ASP A 48 1.788 -13.461 14.048 1.00 0.00 C ATOM 787 CG ASP A 48 2.155 -14.887 14.462 1.00 0.00 C ATOM 788 OD1 ASP A 48 3.214 -15.069 15.120 1.00 0.00 O ATOM 789 OD2 ASP A 48 1.366 -15.814 14.135 1.00 0.00 O ATOM 0 H ASP A 48 4.101 -12.011 14.230 1.00 0.00 H new ATOM 0 HA ASP A 48 2.833 -13.721 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.827 -12.804 14.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.763 -13.438 13.677 1.00 0.00 H new ATOM 794 N LYS A 49 1.487 -11.684 11.308 1.00 0.00 N ATOM 795 CA LYS A 49 0.780 -10.561 10.734 1.00 0.00 C ATOM 796 C LYS A 49 -0.698 -10.799 10.882 1.00 0.00 C ATOM 797 O LYS A 49 -1.504 -10.062 10.317 1.00 0.00 O ATOM 798 CB LYS A 49 1.093 -10.333 9.230 1.00 0.00 C ATOM 799 CG LYS A 49 1.103 -11.596 8.347 1.00 0.00 C ATOM 800 CD LYS A 49 2.506 -12.150 8.035 1.00 0.00 C ATOM 801 CE LYS A 49 3.318 -11.248 7.089 1.00 0.00 C ATOM 802 NZ LYS A 49 4.629 -11.853 6.754 1.00 0.00 N ATOM 0 H LYS A 49 1.403 -12.535 10.752 1.00 0.00 H new ATOM 0 HA LYS A 49 1.110 -9.670 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.357 -9.637 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.067 -9.849 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.522 -12.374 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.599 -11.370 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.056 -12.275 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.408 -13.139 7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.751 -11.075 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.474 -10.276 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.324 -11.100 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.952 -12.443 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.532 -12.442 5.902 1.00 0.00 H new ATOM 816 N SER A 50 -1.085 -11.824 11.680 1.00 0.00 N ATOM 817 CA SER A 50 -2.433 -12.319 11.852 1.00 0.00 C ATOM 818 C SER A 50 -3.392 -11.280 12.373 1.00 0.00 C ATOM 819 O SER A 50 -4.581 -11.321 12.062 1.00 0.00 O ATOM 820 CB SER A 50 -2.462 -13.507 12.841 1.00 0.00 C ATOM 821 OG SER A 50 -1.550 -14.517 12.425 1.00 0.00 O ATOM 0 H SER A 50 -0.411 -12.343 12.244 1.00 0.00 H new ATOM 0 HA SER A 50 -2.752 -12.622 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.202 -13.162 13.842 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.470 -13.918 12.897 1.00 0.00 H new ATOM 0 HG SER A 50 -1.576 -15.263 13.060 1.00 0.00 H new ATOM 827 N GLU A 51 -2.877 -10.309 13.165 1.00 0.00 N ATOM 828 CA GLU A 51 -3.634 -9.232 13.762 1.00 0.00 C ATOM 829 C GLU A 51 -4.191 -8.323 12.697 1.00 0.00 C ATOM 830 O GLU A 51 -5.356 -7.930 12.737 1.00 0.00 O ATOM 831 CB GLU A 51 -2.749 -8.352 14.684 1.00 0.00 C ATOM 832 CG GLU A 51 -2.020 -9.108 15.811 1.00 0.00 C ATOM 833 CD GLU A 51 -3.015 -9.655 16.833 1.00 0.00 C ATOM 834 OE1 GLU A 51 -3.587 -10.750 16.583 1.00 0.00 O ATOM 835 OE2 GLU A 51 -3.210 -8.986 17.882 1.00 0.00 O ATOM 0 H GLU A 51 -1.885 -10.272 13.401 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.431 -9.700 14.340 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.006 -7.844 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.375 -7.580 15.132 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.439 -9.928 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.315 -8.440 16.306 1.00 0.00 H new ATOM 842 N TRP A 52 -3.334 -7.978 11.714 1.00 0.00 N ATOM 843 CA TRP A 52 -3.605 -6.985 10.709 1.00 0.00 C ATOM 844 C TRP A 52 -4.404 -7.582 9.590 1.00 0.00 C ATOM 845 O TRP A 52 -5.239 -6.905 8.995 1.00 0.00 O ATOM 846 CB TRP A 52 -2.301 -6.397 10.122 1.00 0.00 C ATOM 847 CG TRP A 52 -1.296 -5.964 11.176 1.00 0.00 C ATOM 848 CD1 TRP A 52 -0.051 -6.474 11.415 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.515 -4.945 12.171 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.531 -5.834 12.484 1.00 0.00 N ATOM 851 CE2 TRP A 52 -0.346 -4.883 12.959 1.00 0.00 C ATOM 852 CE3 TRP A 52 -2.600 -4.113 12.432 1.00 0.00 C ATOM 853 CZ2 TRP A 52 -0.239 -3.976 14.009 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -2.491 -3.196 13.488 1.00 0.00 C ATOM 855 CH2 TRP A 52 -1.326 -3.127 14.264 1.00 0.00 C ATOM 0 H TRP A 52 -2.414 -8.407 11.614 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.168 -6.186 11.191 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.837 -7.141 9.475 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.549 -5.540 9.496 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.410 -7.267 10.845 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.458 -6.030 12.862 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.500 -4.172 11.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.656 -3.927 14.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.316 -2.534 13.706 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.264 -2.410 15.069 1.00 0.00 H new ATOM 866 N GLU A 53 -4.173 -8.883 9.292 1.00 0.00 N ATOM 867 CA GLU A 53 -4.858 -9.617 8.253 1.00 0.00 C ATOM 868 C GLU A 53 -6.299 -9.828 8.618 1.00 0.00 C ATOM 869 O GLU A 53 -7.175 -9.701 7.765 1.00 0.00 O ATOM 870 CB GLU A 53 -4.223 -11.003 8.000 1.00 0.00 C ATOM 871 CG GLU A 53 -2.837 -10.913 7.339 1.00 0.00 C ATOM 872 CD GLU A 53 -2.228 -12.310 7.246 1.00 0.00 C ATOM 873 OE1 GLU A 53 -2.061 -12.954 8.316 1.00 0.00 O ATOM 874 OE2 GLU A 53 -1.916 -12.750 6.108 1.00 0.00 O ATOM 0 H GLU A 53 -3.485 -9.446 9.792 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.773 -9.017 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.135 -11.535 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.886 -11.591 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.924 -10.475 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.187 -10.259 7.920 1.00 0.00 H new ATOM 881 N ALA A 54 -6.576 -10.134 9.907 1.00 0.00 N ATOM 882 CA ALA A 54 -7.907 -10.384 10.408 1.00 0.00 C ATOM 883 C ALA A 54 -8.738 -9.127 10.388 1.00 0.00 C ATOM 884 O ALA A 54 -9.911 -9.161 10.020 1.00 0.00 O ATOM 885 CB ALA A 54 -7.885 -10.916 11.853 1.00 0.00 C ATOM 0 H ALA A 54 -5.854 -10.210 10.624 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.344 -11.136 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.906 -11.091 12.192 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.326 -11.851 11.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.407 -10.183 12.503 1.00 0.00 H new ATOM 891 N LYS A 55 -8.124 -7.982 10.770 1.00 0.00 N ATOM 892 CA LYS A 55 -8.780 -6.699 10.870 1.00 0.00 C ATOM 893 C LYS A 55 -9.103 -6.166 9.499 1.00 0.00 C ATOM 894 O LYS A 55 -10.215 -5.699 9.261 1.00 0.00 O ATOM 895 CB LYS A 55 -7.911 -5.685 11.657 1.00 0.00 C ATOM 896 CG LYS A 55 -8.642 -4.419 12.150 1.00 0.00 C ATOM 897 CD LYS A 55 -8.622 -3.220 11.185 1.00 0.00 C ATOM 898 CE LYS A 55 -9.332 -1.990 11.769 1.00 0.00 C ATOM 899 NZ LYS A 55 -9.247 -0.826 10.855 1.00 0.00 N ATOM 0 H LYS A 55 -7.135 -7.946 11.019 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.711 -6.838 11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.483 -6.194 12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.079 -5.378 11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.680 -4.678 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.196 -4.109 13.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.589 -2.963 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.101 -3.503 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.378 -2.229 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.885 -1.733 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.737 -0.014 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.249 -0.583 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.696 -1.064 9.947 1.00 0.00 H new ATOM 913 N ALA A 56 -8.133 -6.252 8.557 1.00 0.00 N ATOM 914 CA ALA A 56 -8.250 -5.770 7.198 1.00 0.00 C ATOM 915 C ALA A 56 -9.272 -6.542 6.408 1.00 0.00 C ATOM 916 O ALA A 56 -10.027 -5.958 5.633 1.00 0.00 O ATOM 917 CB ALA A 56 -6.917 -5.889 6.436 1.00 0.00 C ATOM 0 H ALA A 56 -7.225 -6.676 8.749 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.552 -4.727 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.045 -5.517 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.153 -5.300 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.608 -6.934 6.404 1.00 0.00 H new ATOM 923 N ALA A 57 -9.317 -7.882 6.597 1.00 0.00 N ATOM 924 CA ALA A 57 -10.181 -8.769 5.853 1.00 0.00 C ATOM 925 C ALA A 57 -11.610 -8.606 6.285 1.00 0.00 C ATOM 926 O ALA A 57 -12.520 -8.658 5.460 1.00 0.00 O ATOM 927 CB ALA A 57 -9.804 -10.250 6.039 1.00 0.00 C ATOM 0 H ALA A 57 -8.738 -8.363 7.285 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.058 -8.497 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.484 -10.874 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.782 -10.411 5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.879 -10.515 7.094 1.00 0.00 H new ATOM 933 N LYS A 58 -11.834 -8.376 7.602 1.00 0.00 N ATOM 934 CA LYS A 58 -13.156 -8.184 8.146 1.00 0.00 C ATOM 935 C LYS A 58 -13.668 -6.822 7.753 1.00 0.00 C ATOM 936 O LYS A 58 -14.847 -6.670 7.457 1.00 0.00 O ATOM 937 CB LYS A 58 -13.222 -8.313 9.686 1.00 0.00 C ATOM 938 CG LYS A 58 -14.657 -8.531 10.201 1.00 0.00 C ATOM 939 CD LYS A 58 -14.998 -7.753 11.480 1.00 0.00 C ATOM 940 CE LYS A 58 -16.468 -7.940 11.881 1.00 0.00 C ATOM 941 NZ LYS A 58 -16.863 -7.003 12.956 1.00 0.00 N ATOM 0 H LYS A 58 -11.089 -8.323 8.297 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.775 -8.980 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.595 -9.146 10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.810 -7.412 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.358 -8.244 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.805 -9.595 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.353 -8.088 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.794 -6.693 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.106 -7.786 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.627 -8.965 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.862 -7.157 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.271 -7.168 13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.735 -6.024 12.628 1.00 0.00 H new ATOM 955 N ALA A 59 -12.774 -5.803 7.696 1.00 0.00 N ATOM 956 CA ALA A 59 -13.117 -4.446 7.321 1.00 0.00 C ATOM 957 C ALA A 59 -13.514 -4.362 5.870 1.00 0.00 C ATOM 958 O ALA A 59 -14.284 -3.483 5.488 1.00 0.00 O ATOM 959 CB ALA A 59 -11.957 -3.454 7.546 1.00 0.00 C ATOM 0 H ALA A 59 -11.785 -5.923 7.916 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.953 -4.172 7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.271 -2.454 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.682 -3.449 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.097 -3.758 6.948 1.00 0.00 H new ATOM 965 N LYS A 60 -13.015 -5.307 5.033 1.00 0.00 N ATOM 966 CA LYS A 60 -13.375 -5.408 3.640 1.00 0.00 C ATOM 967 C LYS A 60 -14.767 -5.954 3.524 1.00 0.00 C ATOM 968 O LYS A 60 -15.572 -5.397 2.785 1.00 0.00 O ATOM 969 CB LYS A 60 -12.371 -6.244 2.805 1.00 0.00 C ATOM 970 CG LYS A 60 -12.470 -6.041 1.275 1.00 0.00 C ATOM 971 CD LYS A 60 -13.491 -6.937 0.545 1.00 0.00 C ATOM 972 CE LYS A 60 -13.564 -6.687 -0.972 1.00 0.00 C ATOM 973 NZ LYS A 60 -14.153 -5.365 -1.296 1.00 0.00 N ATOM 0 H LYS A 60 -12.346 -6.016 5.333 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.338 -4.404 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.359 -5.996 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.526 -7.300 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.725 -4.999 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.486 -6.214 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.234 -7.982 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.478 -6.775 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.562 -6.750 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.159 -7.472 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.623 -4.931 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.147 -5.487 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.103 -4.748 -0.460 1.00 0.00 H new ATOM 987 N ASP A 61 -15.095 -7.033 4.277 1.00 0.00 N ATOM 988 CA ASP A 61 -16.387 -7.689 4.235 1.00 0.00 C ATOM 989 C ASP A 61 -17.471 -6.763 4.744 1.00 0.00 C ATOM 990 O ASP A 61 -18.549 -6.676 4.156 1.00 0.00 O ATOM 991 CB ASP A 61 -16.391 -9.003 5.066 1.00 0.00 C ATOM 992 CG ASP A 61 -17.640 -9.845 4.781 1.00 0.00 C ATOM 993 OD1 ASP A 61 -17.862 -10.183 3.588 1.00 0.00 O ATOM 994 OD2 ASP A 61 -18.380 -10.159 5.749 1.00 0.00 O ATOM 0 H ASP A 61 -14.445 -7.464 4.935 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.587 -7.943 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.499 -9.584 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.348 -8.763 6.128 1.00 0.00 H new ATOM 999 N ASP A 62 -17.167 -6.020 5.839 1.00 0.00 N ATOM 1000 CA ASP A 62 -18.031 -5.051 6.481 1.00 0.00 C ATOM 1001 C ASP A 62 -18.412 -3.960 5.512 1.00 0.00 C ATOM 1002 O ASP A 62 -19.587 -3.623 5.396 1.00 0.00 O ATOM 1003 CB ASP A 62 -17.373 -4.364 7.718 1.00 0.00 C ATOM 1004 CG ASP A 62 -17.222 -5.300 8.926 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -17.638 -6.486 8.842 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -16.689 -4.823 9.966 1.00 0.00 O ATOM 0 H ASP A 62 -16.263 -6.100 6.305 1.00 0.00 H new ATOM 0 HA ASP A 62 -18.903 -5.614 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.390 -3.987 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.974 -3.502 8.008 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.419 -3.408 4.770 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.611 -2.357 3.792 1.00 0.00 C ATOM 1013 C TYR A 63 -18.435 -2.849 2.629 1.00 0.00 C ATOM 1014 O TYR A 63 -19.434 -2.228 2.281 1.00 0.00 O ATOM 1015 CB TYR A 63 -16.251 -1.838 3.245 1.00 0.00 C ATOM 1016 CG TYR A 63 -16.382 -0.681 2.276 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.846 0.574 2.707 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -15.987 -0.830 0.934 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.853 1.672 1.838 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -15.999 0.263 0.058 1.00 0.00 C ATOM 1021 CZ TYR A 63 -16.417 1.521 0.515 1.00 0.00 C ATOM 1022 OH TYR A 63 -16.394 2.637 -0.351 1.00 0.00 O ATOM 0 H TYR A 63 -16.446 -3.703 4.853 1.00 0.00 H new ATOM 0 HA TYR A 63 -18.132 -1.545 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -15.627 -1.528 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.733 -2.659 2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -17.201 0.693 3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.671 -1.798 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.194 2.635 2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -15.687 0.137 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 63 -16.065 2.361 -1.232 1.00 0.00 H new ATOM 1032 N ASP A 64 -18.006 -3.972 2.005 1.00 0.00 N ATOM 1033 CA ASP A 64 -18.486 -4.472 0.733 1.00 0.00 C ATOM 1034 C ASP A 64 -19.962 -4.782 0.773 1.00 0.00 C ATOM 1035 O ASP A 64 -20.704 -4.469 -0.157 1.00 0.00 O ATOM 1036 CB ASP A 64 -17.708 -5.755 0.323 1.00 0.00 C ATOM 1037 CG ASP A 64 -17.699 -5.957 -1.192 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -17.042 -5.128 -1.879 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -18.301 -6.951 -1.671 1.00 0.00 O ATOM 0 H ASP A 64 -17.283 -4.567 2.409 1.00 0.00 H new ATOM 0 HA ASP A 64 -18.318 -3.686 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.682 -5.689 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.161 -6.623 0.802 1.00 0.00 H new ATOM 1044 N ARG A 65 -20.418 -5.389 1.893 1.00 0.00 N ATOM 1045 CA ARG A 65 -21.792 -5.782 2.078 1.00 0.00 C ATOM 1046 C ARG A 65 -22.635 -4.587 2.455 1.00 0.00 C ATOM 1047 O ARG A 65 -23.794 -4.491 2.057 1.00 0.00 O ATOM 1048 CB ARG A 65 -21.924 -6.871 3.170 1.00 0.00 C ATOM 1049 CG ARG A 65 -23.268 -7.618 3.133 1.00 0.00 C ATOM 1050 CD ARG A 65 -23.397 -8.681 4.232 1.00 0.00 C ATOM 1051 NE ARG A 65 -24.710 -9.390 4.061 1.00 0.00 N ATOM 1052 CZ ARG A 65 -25.226 -10.244 4.997 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -24.577 -10.466 6.177 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -26.406 -10.885 4.746 1.00 0.00 N ATOM 0 H ARG A 65 -19.819 -5.612 2.688 1.00 0.00 H new ATOM 0 HA ARG A 65 -22.146 -6.194 1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.114 -7.591 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.801 -6.409 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -24.080 -6.898 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -23.385 -8.094 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -22.573 -9.391 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -23.344 -8.216 5.216 1.00 0.00 H new ATOM 0 HE ARG A 65 -25.242 -9.227 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -23.695 -9.992 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -24.974 -11.106 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -26.896 -10.725 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -26.797 -11.523 5.439 1.00 0.00 H new ATOM 1068 N ALA A 66 -22.063 -3.632 3.227 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.790 -2.502 3.758 1.00 0.00 C ATOM 1070 C ALA A 66 -23.094 -1.467 2.713 1.00 0.00 C ATOM 1071 O ALA A 66 -24.131 -0.817 2.801 1.00 0.00 O ATOM 1072 CB ALA A 66 -22.042 -1.788 4.897 1.00 0.00 C ATOM 0 H ALA A 66 -21.077 -3.643 3.488 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.714 -2.938 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -22.639 -0.948 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.873 -2.487 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -21.084 -1.422 4.529 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.217 -1.291 1.691 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.434 -0.322 0.631 1.00 0.00 C ATOM 1080 C VAL A 67 -23.497 -0.818 -0.319 1.00 0.00 C ATOM 1081 O VAL A 67 -24.196 -0.023 -0.948 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.178 0.091 -0.134 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -20.243 0.830 0.846 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -20.481 -1.104 -0.821 1.00 0.00 C ATOM 0 H VAL A 67 -21.351 -1.822 1.596 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.769 0.586 1.132 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.455 0.758 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -19.337 1.136 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.751 1.711 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -19.980 0.166 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -19.595 -0.753 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.188 -1.836 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.167 -1.567 -1.530 1.00 0.00 H new ATOM 1094 N LYS A 68 -23.676 -2.159 -0.395 1.00 0.00 N ATOM 1095 CA LYS A 68 -24.707 -2.802 -1.171 1.00 0.00 C ATOM 1096 C LYS A 68 -26.053 -2.572 -0.523 1.00 0.00 C ATOM 1097 O LYS A 68 -27.053 -2.391 -1.213 1.00 0.00 O ATOM 1098 CB LYS A 68 -24.420 -4.316 -1.348 1.00 0.00 C ATOM 1099 CG LYS A 68 -25.489 -5.104 -2.127 1.00 0.00 C ATOM 1100 CD LYS A 68 -26.259 -6.114 -1.256 1.00 0.00 C ATOM 1101 CE LYS A 68 -27.738 -6.268 -1.640 1.00 0.00 C ATOM 1102 NZ LYS A 68 -28.515 -5.073 -1.236 1.00 0.00 N ATOM 0 H LYS A 68 -23.080 -2.820 0.103 1.00 0.00 H new ATOM 0 HA LYS A 68 -24.718 -2.360 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.464 -4.430 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -24.309 -4.765 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -26.197 -4.403 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.011 -5.635 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -25.772 -7.086 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.195 -5.802 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.825 -6.417 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -28.152 -7.155 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -29.330 -4.958 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.851 -5.192 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -27.909 -4.229 -1.294 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.107 -2.539 0.829 1.00 0.00 N ATOM 1117 CA GLU A 69 -27.329 -2.322 1.572 1.00 0.00 C ATOM 1118 C GLU A 69 -27.559 -0.849 1.839 1.00 0.00 C ATOM 1119 O GLU A 69 -28.537 -0.490 2.493 1.00 0.00 O ATOM 1120 CB GLU A 69 -27.311 -3.075 2.925 1.00 0.00 C ATOM 1121 CG GLU A 69 -27.249 -4.605 2.744 1.00 0.00 C ATOM 1122 CD GLU A 69 -27.183 -5.289 4.108 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -28.163 -5.150 4.886 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -26.157 -5.964 4.387 1.00 0.00 O ATOM 0 H GLU A 69 -25.286 -2.665 1.422 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.140 -2.709 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.452 -2.746 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -28.203 -2.815 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.126 -4.951 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.376 -4.874 2.150 1.00 0.00 H new ATOM 1131 N PHE A 70 -26.676 0.043 1.325 1.00 0.00 N ATOM 1132 CA PHE A 70 -26.749 1.470 1.552 1.00 0.00 C ATOM 1133 C PHE A 70 -27.679 2.057 0.516 1.00 0.00 C ATOM 1134 O PHE A 70 -28.797 2.454 0.834 1.00 0.00 O ATOM 1135 CB PHE A 70 -25.338 2.133 1.486 1.00 0.00 C ATOM 1136 CG PHE A 70 -25.263 3.517 2.095 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -25.801 4.642 1.442 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -24.570 3.715 3.304 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -25.662 5.925 1.984 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -24.418 4.998 3.842 1.00 0.00 C ATOM 1141 CZ PHE A 70 -24.969 6.105 3.186 1.00 0.00 C ATOM 0 H PHE A 70 -25.890 -0.233 0.736 1.00 0.00 H new ATOM 0 HA PHE A 70 -27.133 1.666 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -24.623 1.487 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -25.027 2.192 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -26.329 4.513 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -24.150 2.866 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -26.090 6.776 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -23.874 5.134 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 70 -24.860 7.094 3.606 1.00 0.00 H new ATOM 1151 N GLU A 71 -27.212 2.130 -0.752 1.00 0.00 N ATOM 1152 CA GLU A 71 -27.879 2.844 -1.816 1.00 0.00 C ATOM 1153 C GLU A 71 -28.295 1.884 -2.895 1.00 0.00 C ATOM 1154 O GLU A 71 -28.659 2.314 -3.990 1.00 0.00 O ATOM 1155 CB GLU A 71 -26.948 3.918 -2.435 1.00 0.00 C ATOM 1156 CG GLU A 71 -25.586 3.373 -2.909 1.00 0.00 C ATOM 1157 CD GLU A 71 -24.712 4.520 -3.411 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -24.427 5.443 -2.603 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -24.311 4.482 -4.605 1.00 0.00 O ATOM 0 H GLU A 71 -26.346 1.680 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 71 -28.755 3.335 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -27.457 4.380 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -26.777 4.703 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.087 2.856 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -25.734 2.642 -3.704 1.00 0.00 H new