USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 812 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: A 87 THR OG1 : rot -150:sc= 0.0851 USER MOD Set 1.2: A 101 SER OG : rot 94:sc= -0.901 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.0762 (180deg=-0.405) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0423) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0121 (180deg=-0.158) USER MOD Single : A 31 GLN : amide:sc= -0.085 K(o=-0.085,f=-0.71) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.335 F(o=-1.1,f=-0.33) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= 0.862 (180deg=0.167) USER MOD Single : A 50 CYS SG : rot 72:sc= 0.557 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 150:sc= -0.428 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0154) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc=0.000544 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00174 X(o=-0.0017,f=-0.24) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-4.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-6.8!) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00989 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0676 USER MOD Single : A 104 SER OG : rot 27:sc= 0.0344 USER MOD Single : A 108 GLN : amide:sc= -1.4 K(o=-1.4,f=-5!) USER MOD Single : A 113 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.2!) USER MOD Single : A 115 MET CE :methyl 180:sc= -0.121 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.009 5.077 -6.723 1.00 0.00 N ATOM 177 CA LYS A 15 -12.101 4.111 -6.740 1.00 0.00 C ATOM 178 C LYS A 15 -11.601 2.732 -7.159 1.00 0.00 C ATOM 179 O LYS A 15 -10.444 2.573 -7.548 1.00 0.00 O ATOM 180 CB LYS A 15 -13.206 4.575 -7.691 1.00 0.00 C ATOM 181 CG LYS A 15 -14.063 5.695 -7.126 1.00 0.00 C ATOM 182 CD LYS A 15 -15.453 5.697 -7.741 1.00 0.00 C ATOM 183 CE LYS A 15 -15.461 6.387 -9.097 1.00 0.00 C ATOM 184 NZ LYS A 15 -15.189 7.847 -8.978 1.00 0.00 N ATOM 0 HA LYS A 15 -12.506 4.040 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.754 4.910 -8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.845 3.726 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.143 5.584 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.580 6.654 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.805 4.671 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.148 6.202 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.711 5.929 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.428 6.236 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.557 8.338 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.656 8.219 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.163 8.004 -8.907 1.00 0.00 H new ATOM 198 N ARG A 16 -12.481 1.739 -7.079 1.00 0.00 N ATOM 199 CA ARG A 16 -12.128 0.374 -7.451 1.00 0.00 C ATOM 200 C ARG A 16 -13.259 -0.285 -8.235 1.00 0.00 C ATOM 201 O ARG A 16 -14.422 0.095 -8.105 1.00 0.00 O ATOM 202 CB ARG A 16 -11.810 -0.451 -6.203 1.00 0.00 C ATOM 203 CG ARG A 16 -11.806 -1.951 -6.449 1.00 0.00 C ATOM 204 CD ARG A 16 -10.575 -2.385 -7.229 1.00 0.00 C ATOM 205 NE ARG A 16 -10.741 -3.709 -7.822 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.711 -4.837 -7.121 1.00 0.00 C ATOM 207 NH1 ARG A 16 -10.522 -4.801 -5.809 1.00 0.00 N ATOM 208 NH2 ARG A 16 -10.870 -6.004 -7.732 1.00 0.00 N ATOM 0 H ARG A 16 -13.443 1.854 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.243 0.414 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.835 -0.152 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.542 -0.220 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.838 -2.477 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.704 -2.233 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.370 -1.659 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.709 -2.391 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.888 -3.771 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.399 -3.906 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.499 -5.669 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.015 -6.036 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.847 -6.869 -7.193 1.00 0.00 H new ATOM 222 N ASN A 17 -12.909 -1.275 -9.050 1.00 0.00 N ATOM 223 CA ASN A 17 -13.894 -1.986 -9.856 1.00 0.00 C ATOM 224 C ASN A 17 -13.715 -3.496 -9.727 1.00 0.00 C ATOM 225 O ASN A 17 -12.598 -4.009 -9.652 1.00 0.00 O ATOM 226 CB ASN A 17 -13.779 -1.571 -11.324 1.00 0.00 C ATOM 227 CG ASN A 17 -14.055 -0.094 -11.531 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.194 0.308 -11.769 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.011 0.721 -11.440 1.00 0.00 N ATOM 0 H ASN A 17 -11.951 -1.603 -9.169 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.886 -1.723 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.778 -1.805 -11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.480 -2.156 -11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.135 1.725 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.085 0.343 -11.241 1.00 0.00 H new ATOM 236 N PRO A 18 -14.840 -4.226 -9.703 1.00 0.00 N ATOM 237 CA PRO A 18 -14.833 -5.687 -9.585 1.00 0.00 C ATOM 238 C PRO A 18 -14.303 -6.368 -10.842 1.00 0.00 C ATOM 239 O PRO A 18 -13.591 -7.368 -10.764 1.00 0.00 O ATOM 240 CB PRO A 18 -16.309 -6.032 -9.371 1.00 0.00 C ATOM 241 CG PRO A 18 -17.056 -4.903 -9.994 1.00 0.00 C ATOM 242 CD PRO A 18 -16.205 -3.681 -9.789 1.00 0.00 C ATOM 0 HA PRO A 18 -14.180 -6.028 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.565 -6.982 -9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.544 -6.125 -8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.227 -5.086 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.035 -4.779 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.306 -2.978 -10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.482 -3.146 -8.881 1.00 0.00 H new ATOM 250 N ASN A 19 -14.654 -5.818 -12.000 1.00 0.00 N ATOM 251 CA ASN A 19 -14.213 -6.374 -13.274 1.00 0.00 C ATOM 252 C ASN A 19 -12.692 -6.335 -13.387 1.00 0.00 C ATOM 253 O ASN A 19 -12.071 -7.284 -13.866 1.00 0.00 O ATOM 254 CB ASN A 19 -14.842 -5.601 -14.436 1.00 0.00 C ATOM 255 CG ASN A 19 -16.280 -6.008 -14.690 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.572 -6.740 -15.635 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.187 -5.533 -13.845 1.00 0.00 N ATOM 0 H ASN A 19 -15.242 -4.989 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.536 -7.414 -13.320 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.802 -4.533 -14.222 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.255 -5.767 -15.339 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.171 -5.772 -13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.900 -4.929 -13.075 1.00 0.00 H new ATOM 264 N ALA A 20 -12.099 -5.233 -12.941 1.00 0.00 N ATOM 265 CA ALA A 20 -10.651 -5.072 -12.989 1.00 0.00 C ATOM 266 C ALA A 20 -9.945 -6.263 -12.352 1.00 0.00 C ATOM 267 O ALA A 20 -10.171 -6.601 -11.190 1.00 0.00 O ATOM 268 CB ALA A 20 -10.240 -3.780 -12.298 1.00 0.00 C ATOM 0 H ALA A 20 -12.599 -4.438 -12.542 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.350 -5.022 -14.036 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.156 -3.673 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.709 -2.934 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.560 -3.807 -11.256 1.00 0.00 H new ATOM 274 N PRO A 21 -9.068 -6.918 -13.128 1.00 0.00 N ATOM 275 CA PRO A 21 -8.311 -8.082 -12.660 1.00 0.00 C ATOM 276 C PRO A 21 -7.260 -7.710 -11.619 1.00 0.00 C ATOM 277 O PRO A 21 -6.477 -6.782 -11.817 1.00 0.00 O ATOM 278 CB PRO A 21 -7.641 -8.605 -13.933 1.00 0.00 C ATOM 279 CG PRO A 21 -7.542 -7.416 -14.825 1.00 0.00 C ATOM 280 CD PRO A 21 -8.748 -6.571 -14.523 1.00 0.00 C ATOM 0 HA PRO A 21 -8.952 -8.814 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.657 -9.023 -13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.231 -9.398 -14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.621 -6.863 -14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.527 -7.715 -15.873 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.532 -5.508 -14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.576 -6.799 -15.194 1.00 0.00 H new ATOM 288 N VAL A 22 -7.249 -8.441 -10.509 1.00 0.00 N ATOM 289 CA VAL A 22 -6.294 -8.189 -9.437 1.00 0.00 C ATOM 290 C VAL A 22 -4.866 -8.460 -9.898 1.00 0.00 C ATOM 291 O VAL A 22 -4.517 -9.589 -10.244 1.00 0.00 O ATOM 292 CB VAL A 22 -6.595 -9.056 -8.200 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.619 -10.530 -8.575 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.574 -8.793 -7.104 1.00 0.00 C ATOM 0 H VAL A 22 -7.891 -9.213 -10.329 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.393 -7.138 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.580 -8.786 -7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.833 -11.127 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.392 -10.702 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.649 -10.818 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.802 -9.414 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.576 -9.034 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.611 -7.742 -6.817 1.00 0.00 H new ATOM 304 N THR A 23 -4.043 -7.416 -9.901 1.00 0.00 N ATOM 305 CA THR A 23 -2.652 -7.540 -10.320 1.00 0.00 C ATOM 306 C THR A 23 -1.869 -8.436 -9.368 1.00 0.00 C ATOM 307 O THR A 23 -1.327 -9.465 -9.771 1.00 0.00 O ATOM 308 CB THR A 23 -1.964 -6.164 -10.396 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.804 -5.233 -11.087 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.623 -6.269 -11.108 1.00 0.00 C ATOM 0 H THR A 23 -4.316 -6.475 -9.618 1.00 0.00 H new ATOM 0 HA THR A 23 -2.659 -7.989 -11.313 1.00 0.00 H new ATOM 0 HB THR A 23 -1.792 -5.812 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.360 -4.360 -11.129 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.155 -5.285 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.025 -6.956 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.777 -6.641 -12.121 1.00 0.00 H new ATOM 318 N LYS A 24 -1.813 -8.039 -8.101 1.00 0.00 N ATOM 319 CA LYS A 24 -1.097 -8.807 -7.089 1.00 0.00 C ATOM 320 C LYS A 24 -1.695 -8.574 -5.705 1.00 0.00 C ATOM 321 O LYS A 24 -1.931 -7.434 -5.305 1.00 0.00 O ATOM 322 CB LYS A 24 0.386 -8.429 -7.086 1.00 0.00 C ATOM 323 CG LYS A 24 1.247 -9.350 -6.240 1.00 0.00 C ATOM 324 CD LYS A 24 2.602 -8.730 -5.943 1.00 0.00 C ATOM 325 CE LYS A 24 3.481 -9.672 -5.136 1.00 0.00 C ATOM 326 NZ LYS A 24 3.944 -10.831 -5.948 1.00 0.00 N ATOM 0 H LYS A 24 -2.255 -7.189 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.195 -9.864 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.757 -8.439 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.491 -7.408 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.734 -9.571 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.386 -10.298 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.101 -8.477 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.465 -7.799 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.345 -9.127 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.926 -10.034 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.646 -11.375 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.133 -11.441 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.377 -10.487 -6.829 1.00 0.00 H new ATOM 340 N ALA A 25 -1.936 -9.660 -4.979 1.00 0.00 N ATOM 341 CA ALA A 25 -2.502 -9.573 -3.639 1.00 0.00 C ATOM 342 C ALA A 25 -1.711 -10.424 -2.652 1.00 0.00 C ATOM 343 O ALA A 25 -1.307 -11.543 -2.966 1.00 0.00 O ATOM 344 CB ALA A 25 -3.963 -9.999 -3.654 1.00 0.00 C ATOM 0 H ALA A 25 -1.748 -10.611 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.441 -8.535 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.373 -9.929 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.526 -9.346 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.038 -11.028 -4.006 1.00 0.00 H new ATOM 350 N GLY A 26 -1.492 -9.887 -1.455 1.00 0.00 N ATOM 351 CA GLY A 26 -0.749 -10.611 -0.441 1.00 0.00 C ATOM 352 C GLY A 26 -0.753 -9.901 0.898 1.00 0.00 C ATOM 353 O GLY A 26 -0.838 -8.675 0.958 1.00 0.00 O ATOM 0 H GLY A 26 -1.816 -8.963 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.177 -11.606 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.280 -10.745 -0.775 1.00 0.00 H new ATOM 357 N TRP A 27 -0.663 -10.673 1.975 1.00 0.00 N ATOM 358 CA TRP A 27 -0.658 -10.110 3.321 1.00 0.00 C ATOM 359 C TRP A 27 0.646 -9.371 3.597 1.00 0.00 C ATOM 360 O TRP A 27 1.686 -9.991 3.827 1.00 0.00 O ATOM 361 CB TRP A 27 -0.863 -11.215 4.358 1.00 0.00 C ATOM 362 CG TRP A 27 -2.290 -11.656 4.483 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.870 -12.735 3.878 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.317 -11.028 5.258 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.196 -12.815 4.232 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.494 -11.780 5.078 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.355 -9.905 6.089 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.695 -11.443 5.697 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.548 -9.571 6.703 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.704 -10.338 6.505 1.00 0.00 C ATOM 0 H TRP A 27 -0.593 -11.690 1.943 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.479 -9.397 3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.247 -12.074 4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.513 -10.862 5.328 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.362 -13.423 3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.852 -13.529 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.469 -9.309 6.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.587 -12.032 5.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.590 -8.704 7.346 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.620 -10.052 7.000 1.00 0.00 H new ATOM 381 N LEU A 28 0.586 -8.045 3.574 1.00 0.00 N ATOM 382 CA LEU A 28 1.764 -7.221 3.823 1.00 0.00 C ATOM 383 C LEU A 28 1.710 -6.601 5.216 1.00 0.00 C ATOM 384 O LEU A 28 0.745 -6.792 5.955 1.00 0.00 O ATOM 385 CB LEU A 28 1.873 -6.120 2.766 1.00 0.00 C ATOM 386 CG LEU A 28 2.597 -6.499 1.474 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.398 -5.425 0.416 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.079 -6.720 1.739 1.00 0.00 C ATOM 0 H LEU A 28 -0.266 -7.517 3.385 1.00 0.00 H new ATOM 0 HA LEU A 28 2.644 -7.861 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.867 -5.788 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.387 -5.267 3.210 1.00 0.00 H new ATOM 0 HG LEU A 28 2.171 -7.431 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.920 -5.712 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.334 -5.314 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.796 -4.478 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.579 -6.989 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.518 -5.805 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.203 -7.525 2.463 1.00 0.00 H new ATOM 400 N PHE A 29 2.753 -5.856 5.566 1.00 0.00 N ATOM 401 CA PHE A 29 2.825 -5.207 6.870 1.00 0.00 C ATOM 402 C PHE A 29 2.998 -3.698 6.718 1.00 0.00 C ATOM 403 O PHE A 29 4.089 -3.214 6.415 1.00 0.00 O ATOM 404 CB PHE A 29 3.982 -5.784 7.688 1.00 0.00 C ATOM 405 CG PHE A 29 3.858 -7.259 7.945 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.120 -7.728 9.020 1.00 0.00 C ATOM 407 CD2 PHE A 29 4.477 -8.175 7.111 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.005 -9.085 9.259 1.00 0.00 C ATOM 409 CE2 PHE A 29 4.365 -9.533 7.345 1.00 0.00 C ATOM 410 CZ PHE A 29 3.627 -9.988 8.419 1.00 0.00 C ATOM 0 H PHE A 29 3.560 -5.687 4.965 1.00 0.00 H new ATOM 0 HA PHE A 29 1.888 -5.397 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.918 -5.592 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.038 -5.261 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.629 -7.026 9.678 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.054 -7.824 6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.429 -9.439 10.102 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.854 -10.237 6.688 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.536 -11.048 8.602 1.00 0.00 H new ATOM 420 N LYS A 30 1.914 -2.960 6.930 1.00 0.00 N ATOM 421 CA LYS A 30 1.943 -1.507 6.817 1.00 0.00 C ATOM 422 C LYS A 30 2.588 -0.879 8.049 1.00 0.00 C ATOM 423 O LYS A 30 2.639 -1.493 9.114 1.00 0.00 O ATOM 424 CB LYS A 30 0.525 -0.960 6.636 1.00 0.00 C ATOM 425 CG LYS A 30 0.485 0.453 6.081 1.00 0.00 C ATOM 426 CD LYS A 30 -0.904 0.817 5.583 1.00 0.00 C ATOM 427 CE LYS A 30 -0.963 2.257 5.098 1.00 0.00 C ATOM 428 NZ LYS A 30 -0.790 3.226 6.216 1.00 0.00 N ATOM 0 H LYS A 30 1.003 -3.345 7.181 1.00 0.00 H new ATOM 0 HA LYS A 30 2.540 -1.247 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.027 -1.620 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.012 -0.978 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.792 1.157 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.201 0.545 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.188 0.147 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.628 0.672 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.186 2.421 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.919 2.436 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.052 4.179 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.400 2.950 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.203 3.226 6.525 1.00 0.00 H new ATOM 442 N GLN A 31 3.077 0.347 7.894 1.00 0.00 N ATOM 443 CA GLN A 31 3.717 1.058 8.995 1.00 0.00 C ATOM 444 C GLN A 31 2.814 2.165 9.527 1.00 0.00 C ATOM 445 O GLN A 31 2.229 2.926 8.757 1.00 0.00 O ATOM 446 CB GLN A 31 5.053 1.648 8.540 1.00 0.00 C ATOM 447 CG GLN A 31 6.046 1.850 9.673 1.00 0.00 C ATOM 448 CD GLN A 31 6.991 3.009 9.421 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.581 4.067 8.943 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.265 2.815 9.743 1.00 0.00 N ATOM 0 H GLN A 31 3.042 0.868 7.018 1.00 0.00 H new ATOM 0 HA GLN A 31 3.897 0.344 9.799 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.496 0.989 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.871 2.606 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.502 2.025 10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.625 0.937 9.810 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.561 1.922 10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.947 3.559 9.597 1.00 0.00 H new ATOM 459 N ALA A 32 2.704 2.249 10.849 1.00 0.00 N ATOM 460 CA ALA A 32 1.874 3.264 11.485 1.00 0.00 C ATOM 461 C ALA A 32 2.660 4.549 11.719 1.00 0.00 C ATOM 462 O ALA A 32 3.658 4.555 12.439 1.00 0.00 O ATOM 463 CB ALA A 32 1.312 2.740 12.798 1.00 0.00 C ATOM 0 H ALA A 32 3.180 1.625 11.501 1.00 0.00 H new ATOM 0 HA ALA A 32 1.046 3.493 10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.694 3.509 13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.706 1.854 12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.132 2.481 13.467 1.00 0.00 H new ATOM 536 N GLN A 38 3.237 1.260 15.521 1.00 0.00 N ATOM 537 CA GLN A 38 3.636 -0.119 15.268 1.00 0.00 C ATOM 538 C GLN A 38 2.972 -0.655 14.003 1.00 0.00 C ATOM 539 O GLN A 38 1.780 -0.444 13.779 1.00 0.00 O ATOM 540 CB GLN A 38 3.275 -1.005 16.462 1.00 0.00 C ATOM 541 CG GLN A 38 1.785 -1.041 16.763 1.00 0.00 C ATOM 542 CD GLN A 38 1.466 -1.803 18.034 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.788 -1.357 19.136 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.829 -2.959 17.888 1.00 0.00 N ATOM 0 HA GLN A 38 4.716 -0.137 15.125 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.623 -2.020 16.269 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.807 -0.647 17.344 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.411 -0.021 16.852 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.260 -1.501 15.926 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.581 -3.291 16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.587 -3.515 18.708 1.00 0.00 H new ATOM 553 N TRP A 39 3.751 -1.348 13.181 1.00 0.00 N ATOM 554 CA TRP A 39 3.238 -1.914 11.938 1.00 0.00 C ATOM 555 C TRP A 39 1.898 -2.604 12.167 1.00 0.00 C ATOM 556 O TRP A 39 1.563 -2.973 13.291 1.00 0.00 O ATOM 557 CB TRP A 39 4.243 -2.906 11.352 1.00 0.00 C ATOM 558 CG TRP A 39 5.602 -2.314 11.130 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.575 -2.119 12.068 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.137 -1.838 9.890 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.682 -1.550 11.487 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.440 -1.369 10.151 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.644 -1.765 8.584 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.251 -0.834 9.154 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.451 -1.234 7.596 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.743 -0.774 7.885 1.00 0.00 C ATOM 0 H TRP A 39 4.740 -1.532 13.352 1.00 0.00 H new ATOM 0 HA TRP A 39 3.089 -1.098 11.230 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.332 -3.761 12.023 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.860 -3.283 10.404 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.487 -2.375 13.114 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.545 -1.302 11.972 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.650 -2.117 8.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.247 -0.479 9.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.080 -1.172 6.584 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.349 -0.364 7.091 1.00 0.00 H new ATOM 577 N ASN A 40 1.134 -2.775 11.092 1.00 0.00 N ATOM 578 CA ASN A 40 -0.170 -3.421 11.177 1.00 0.00 C ATOM 579 C ASN A 40 -0.399 -4.345 9.984 1.00 0.00 C ATOM 580 O ASN A 40 -0.551 -3.887 8.851 1.00 0.00 O ATOM 581 CB ASN A 40 -1.280 -2.370 11.242 1.00 0.00 C ATOM 582 CG ASN A 40 -1.459 -1.803 12.637 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.685 -0.774 12.961 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.283 -2.286 13.414 1.00 0.00 N flip ATOM 0 H ASN A 40 1.396 -2.475 10.153 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.192 -4.020 12.087 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.050 -1.560 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.218 -2.815 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.857 -3.077 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.392 -1.895 14.350 1.00 0.00 H new ATOM 591 N LYS A 41 -0.422 -5.647 10.247 1.00 0.00 N ATOM 592 CA LYS A 41 -0.634 -6.636 9.196 1.00 0.00 C ATOM 593 C LYS A 41 -2.024 -6.492 8.585 1.00 0.00 C ATOM 594 O LYS A 41 -3.033 -6.606 9.281 1.00 0.00 O ATOM 595 CB LYS A 41 -0.455 -8.049 9.755 1.00 0.00 C ATOM 596 CG LYS A 41 -0.346 -9.118 8.682 1.00 0.00 C ATOM 597 CD LYS A 41 -0.238 -10.508 9.288 1.00 0.00 C ATOM 598 CE LYS A 41 -0.769 -11.572 8.339 1.00 0.00 C ATOM 599 NZ LYS A 41 -2.230 -11.796 8.519 1.00 0.00 N ATOM 0 H LYS A 41 -0.296 -6.042 11.179 1.00 0.00 H new ATOM 0 HA LYS A 41 0.106 -6.464 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.442 -8.075 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.298 -8.283 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.219 -9.071 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.527 -8.923 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.803 -10.721 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.796 -10.543 10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.572 -11.272 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.235 -12.507 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.444 -12.807 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.513 -11.493 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.756 -11.245 7.810 1.00 0.00 H new ATOM 613 N ARG A 42 -2.069 -6.241 7.281 1.00 0.00 N ATOM 614 CA ARG A 42 -3.335 -6.082 6.576 1.00 0.00 C ATOM 615 C ARG A 42 -3.256 -6.679 5.175 1.00 0.00 C ATOM 616 O ARG A 42 -2.176 -6.786 4.595 1.00 0.00 O ATOM 617 CB ARG A 42 -3.713 -4.602 6.491 1.00 0.00 C ATOM 618 CG ARG A 42 -3.936 -3.951 7.846 1.00 0.00 C ATOM 619 CD ARG A 42 -5.234 -4.422 8.483 1.00 0.00 C ATOM 620 NE ARG A 42 -5.244 -4.210 9.928 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.604 -3.067 10.501 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.983 -2.038 9.755 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.586 -2.951 11.822 1.00 0.00 N ATOM 0 H ARG A 42 -1.243 -6.143 6.691 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.103 -6.615 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.925 -4.064 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.620 -4.501 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.100 -4.185 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.958 -2.867 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.072 -3.890 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.378 -5.481 8.271 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.959 -4.982 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.999 -2.123 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.259 -1.161 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.295 -3.740 12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.863 -2.073 12.261 1.00 0.00 H new ATOM 637 N TRP A 43 -4.407 -7.067 4.637 1.00 0.00 N ATOM 638 CA TRP A 43 -4.469 -7.654 3.303 1.00 0.00 C ATOM 639 C TRP A 43 -4.254 -6.592 2.231 1.00 0.00 C ATOM 640 O TRP A 43 -5.017 -5.631 2.133 1.00 0.00 O ATOM 641 CB TRP A 43 -5.815 -8.347 3.090 1.00 0.00 C ATOM 642 CG TRP A 43 -5.911 -9.069 1.780 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.847 -8.876 0.805 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.039 -10.100 1.304 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.610 -9.725 -0.249 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.506 -10.486 0.032 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.909 -10.733 1.827 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.881 -11.476 -0.720 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.290 -11.717 1.079 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.777 -12.080 -0.184 1.00 0.00 C ATOM 0 H TRP A 43 -5.310 -6.986 5.104 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.672 -8.393 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.983 -9.056 3.901 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.611 -7.604 3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.655 -8.161 0.855 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.166 -9.780 -1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.526 -10.458 2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.255 -11.758 -1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.417 -12.214 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.271 -12.852 -0.745 1.00 0.00 H new ATOM 661 N PHE A 44 -3.211 -6.772 1.426 1.00 0.00 N ATOM 662 CA PHE A 44 -2.896 -5.828 0.360 1.00 0.00 C ATOM 663 C PHE A 44 -3.336 -6.373 -0.996 1.00 0.00 C ATOM 664 O PHE A 44 -3.150 -7.553 -1.293 1.00 0.00 O ATOM 665 CB PHE A 44 -1.395 -5.531 0.341 1.00 0.00 C ATOM 666 CG PHE A 44 -0.996 -4.400 1.245 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.444 -4.352 2.555 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.174 -3.384 0.784 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.079 -3.311 3.389 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.194 -2.341 1.613 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.258 -2.306 2.918 1.00 0.00 C ATOM 0 H PHE A 44 -2.570 -7.563 1.492 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.440 -4.903 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.851 -6.429 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.093 -5.294 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.085 -5.136 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.183 -3.407 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.436 -3.284 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.834 -1.555 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.030 -1.494 3.569 1.00 0.00 H new ATOM 681 N VAL A 45 -3.920 -5.503 -1.814 1.00 0.00 N ATOM 682 CA VAL A 45 -4.386 -5.895 -3.139 1.00 0.00 C ATOM 683 C VAL A 45 -4.074 -4.819 -4.172 1.00 0.00 C ATOM 684 O VAL A 45 -4.393 -3.645 -3.978 1.00 0.00 O ATOM 685 CB VAL A 45 -5.902 -6.170 -3.142 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.386 -6.480 -4.550 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.239 -7.308 -2.191 1.00 0.00 C ATOM 0 H VAL A 45 -4.082 -4.523 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.857 -6.811 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.417 -5.274 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.459 -6.671 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.180 -5.630 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.867 -7.361 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.314 -7.488 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.715 -8.211 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.930 -7.041 -1.180 1.00 0.00 H new ATOM 697 N LEU A 46 -3.449 -5.226 -5.271 1.00 0.00 N ATOM 698 CA LEU A 46 -3.093 -4.296 -6.338 1.00 0.00 C ATOM 699 C LEU A 46 -4.052 -4.426 -7.516 1.00 0.00 C ATOM 700 O LEU A 46 -4.080 -5.451 -8.197 1.00 0.00 O ATOM 701 CB LEU A 46 -1.658 -4.548 -6.803 1.00 0.00 C ATOM 702 CG LEU A 46 -1.143 -3.635 -7.917 1.00 0.00 C ATOM 703 CD1 LEU A 46 -1.127 -2.187 -7.454 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.246 -4.070 -8.363 1.00 0.00 C ATOM 0 H LEU A 46 -3.178 -6.193 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.168 -3.283 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.996 -4.448 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.584 -5.581 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.818 -3.715 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.758 -1.552 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.137 -1.880 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.474 -2.090 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.597 -3.410 -9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.932 -4.019 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.205 -5.094 -8.735 1.00 0.00 H new ATOM 716 N VAL A 47 -4.836 -3.379 -7.752 1.00 0.00 N ATOM 717 CA VAL A 47 -5.795 -3.374 -8.851 1.00 0.00 C ATOM 718 C VAL A 47 -5.846 -2.010 -9.530 1.00 0.00 C ATOM 719 O VAL A 47 -5.898 -0.976 -8.865 1.00 0.00 O ATOM 720 CB VAL A 47 -7.208 -3.747 -8.364 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.239 -3.456 -9.444 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.260 -5.208 -7.946 1.00 0.00 C ATOM 0 H VAL A 47 -4.826 -2.523 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.458 -4.121 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.446 -3.136 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.231 -3.726 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.219 -2.394 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.007 -4.039 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.266 -5.453 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.001 -5.839 -8.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.550 -5.380 -7.137 1.00 0.00 H new ATOM 732 N ASP A 48 -5.832 -2.016 -10.858 1.00 0.00 N ATOM 733 CA ASP A 48 -5.878 -0.779 -11.629 1.00 0.00 C ATOM 734 C ASP A 48 -4.697 0.122 -11.282 1.00 0.00 C ATOM 735 O ASP A 48 -4.877 1.281 -10.910 1.00 0.00 O ATOM 736 CB ASP A 48 -7.192 -0.041 -11.370 1.00 0.00 C ATOM 737 CG ASP A 48 -8.316 -0.527 -12.263 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.203 -0.371 -13.497 1.00 0.00 O ATOM 739 OD2 ASP A 48 -9.308 -1.065 -11.729 1.00 0.00 O ATOM 0 H ASP A 48 -5.789 -2.864 -11.423 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.817 -1.036 -12.686 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.479 -0.172 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.042 1.027 -11.528 1.00 0.00 H new ATOM 744 N ARG A 49 -3.490 -0.420 -11.406 1.00 0.00 N ATOM 745 CA ARG A 49 -2.279 0.334 -11.104 1.00 0.00 C ATOM 746 C ARG A 49 -2.427 1.094 -9.789 1.00 0.00 C ATOM 747 O ARG A 49 -1.792 2.130 -9.584 1.00 0.00 O ATOM 748 CB ARG A 49 -1.965 1.312 -12.238 1.00 0.00 C ATOM 749 CG ARG A 49 -1.215 0.678 -13.398 1.00 0.00 C ATOM 750 CD ARG A 49 -0.316 1.686 -14.097 1.00 0.00 C ATOM 751 NE ARG A 49 -0.092 1.340 -15.498 1.00 0.00 N ATOM 752 CZ ARG A 49 0.928 1.801 -16.214 1.00 0.00 C ATOM 753 NH1 ARG A 49 1.812 2.621 -15.664 1.00 0.00 N ATOM 754 NH2 ARG A 49 1.064 1.441 -17.484 1.00 0.00 N ATOM 0 H ARG A 49 -3.325 -1.378 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.455 -0.373 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.898 1.737 -12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.374 2.137 -11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.614 -0.155 -13.033 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.928 0.267 -14.113 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.766 2.677 -14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.642 1.738 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.754 0.710 -15.951 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.711 2.900 -14.688 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.594 2.973 -16.217 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.385 0.810 -17.911 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.847 1.795 -18.033 1.00 0.00 H new ATOM 768 N CYS A 50 -3.267 0.573 -8.901 1.00 0.00 N ATOM 769 CA CYS A 50 -3.498 1.202 -7.606 1.00 0.00 C ATOM 770 C CYS A 50 -3.396 0.180 -6.479 1.00 0.00 C ATOM 771 O CYS A 50 -3.527 -1.023 -6.703 1.00 0.00 O ATOM 772 CB CYS A 50 -4.873 1.872 -7.580 1.00 0.00 C ATOM 773 SG CYS A 50 -5.000 3.338 -8.632 1.00 0.00 S ATOM 0 H CYS A 50 -3.799 -0.283 -9.055 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.729 1.960 -7.455 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.624 1.147 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.109 2.153 -6.554 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.010 2.976 -9.881 1.00 0.00 H new ATOM 779 N LEU A 51 -3.158 0.668 -5.266 1.00 0.00 N ATOM 780 CA LEU A 51 -3.036 -0.203 -4.102 1.00 0.00 C ATOM 781 C LEU A 51 -4.278 -0.112 -3.221 1.00 0.00 C ATOM 782 O LEU A 51 -4.765 0.980 -2.928 1.00 0.00 O ATOM 783 CB LEU A 51 -1.793 0.167 -3.291 1.00 0.00 C ATOM 784 CG LEU A 51 -1.165 -0.961 -2.472 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.295 -0.654 -2.173 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.941 -1.179 -1.182 1.00 0.00 C ATOM 0 H LEU A 51 -3.046 1.661 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.939 -1.229 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.039 0.555 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.055 0.979 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.210 -1.879 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.726 -1.468 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.844 -0.549 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.363 0.275 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.480 -1.985 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.929 -0.263 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.972 -1.445 -1.418 1.00 0.00 H new ATOM 798 N PHE A 52 -4.784 -1.266 -2.798 1.00 0.00 N ATOM 799 CA PHE A 52 -5.968 -1.317 -1.949 1.00 0.00 C ATOM 800 C PHE A 52 -5.779 -2.317 -0.812 1.00 0.00 C ATOM 801 O PHE A 52 -5.575 -3.508 -1.046 1.00 0.00 O ATOM 802 CB PHE A 52 -7.199 -1.694 -2.776 1.00 0.00 C ATOM 803 CG PHE A 52 -7.463 -0.756 -3.919 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.744 0.581 -3.685 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.431 -1.211 -5.227 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.988 1.447 -4.734 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.673 -0.349 -6.281 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.953 0.981 -6.034 1.00 0.00 C ATOM 0 H PHE A 52 -4.392 -2.179 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.118 -0.327 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.069 -2.703 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.072 -1.715 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.773 0.950 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.215 -2.250 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.206 2.486 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.643 -0.715 -7.297 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.144 1.655 -6.856 1.00 0.00 H new ATOM 818 N TYR A 53 -5.849 -1.824 0.419 1.00 0.00 N ATOM 819 CA TYR A 53 -5.683 -2.672 1.593 1.00 0.00 C ATOM 820 C TYR A 53 -7.009 -2.855 2.325 1.00 0.00 C ATOM 821 O TYR A 53 -7.672 -1.881 2.685 1.00 0.00 O ATOM 822 CB TYR A 53 -4.643 -2.071 2.540 1.00 0.00 C ATOM 823 CG TYR A 53 -5.139 -0.855 3.290 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.141 0.400 2.694 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.605 -0.962 4.595 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.592 1.513 3.376 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.059 0.146 5.284 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.050 1.381 4.670 1.00 0.00 C ATOM 829 OH TYR A 53 -6.502 2.488 5.353 1.00 0.00 O ATOM 0 H TYR A 53 -6.020 -0.841 0.630 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.336 -3.649 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.336 -2.831 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.757 -1.798 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.784 0.507 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.612 -1.928 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.586 2.482 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.419 0.046 6.297 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.790 2.223 6.251 1.00 0.00 H new ATOM 839 N TYR A 54 -7.389 -4.109 2.543 1.00 0.00 N ATOM 840 CA TYR A 54 -8.637 -4.421 3.231 1.00 0.00 C ATOM 841 C TYR A 54 -8.366 -5.112 4.563 1.00 0.00 C ATOM 842 O TYR A 54 -7.501 -5.983 4.660 1.00 0.00 O ATOM 843 CB TYR A 54 -9.519 -5.309 2.352 1.00 0.00 C ATOM 844 CG TYR A 54 -9.809 -4.718 0.991 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.882 -4.812 -0.040 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.008 -4.064 0.736 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.142 -4.273 -1.286 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.277 -3.524 -0.506 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.341 -3.630 -1.514 1.00 0.00 C ATOM 850 OH TYR A 54 -10.604 -3.092 -2.752 1.00 0.00 O ATOM 0 H TYR A 54 -6.851 -4.926 2.254 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.158 -3.484 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.032 -6.276 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.462 -5.493 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.942 -5.315 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.742 -3.976 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.411 -4.355 -2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.215 -3.021 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.569 -3.114 -2.920 1.00 0.00 H new ATOM 860 N LYS A 55 -9.113 -4.719 5.589 1.00 0.00 N ATOM 861 CA LYS A 55 -8.958 -5.300 6.917 1.00 0.00 C ATOM 862 C LYS A 55 -8.688 -6.799 6.827 1.00 0.00 C ATOM 863 O LYS A 55 -7.908 -7.347 7.606 1.00 0.00 O ATOM 864 CB LYS A 55 -10.211 -5.046 7.758 1.00 0.00 C ATOM 865 CG LYS A 55 -11.498 -5.476 7.075 1.00 0.00 C ATOM 866 CD LYS A 55 -12.707 -5.237 7.964 1.00 0.00 C ATOM 867 CE LYS A 55 -14.007 -5.508 7.222 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.463 -4.319 6.450 1.00 0.00 N ATOM 0 H LYS A 55 -9.833 -3.999 5.526 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.104 -4.823 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.117 -5.577 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.272 -3.983 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.617 -4.926 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.438 -6.533 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.647 -5.880 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.699 -4.207 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.869 -6.350 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.779 -5.796 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.352 -4.544 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.619 -3.522 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.737 -4.059 5.752 1.00 0.00 H new ATOM 882 N ASP A 56 -9.337 -7.455 5.871 1.00 0.00 N ATOM 883 CA ASP A 56 -9.165 -8.890 5.677 1.00 0.00 C ATOM 884 C ASP A 56 -9.269 -9.256 4.200 1.00 0.00 C ATOM 885 O ASP A 56 -9.588 -8.411 3.363 1.00 0.00 O ATOM 886 CB ASP A 56 -10.212 -9.664 6.481 1.00 0.00 C ATOM 887 CG ASP A 56 -9.962 -9.596 7.974 1.00 0.00 C ATOM 888 OD1 ASP A 56 -9.064 -10.316 8.460 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.663 -8.821 8.658 1.00 0.00 O ATOM 0 H ASP A 56 -9.987 -7.016 5.219 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.171 -9.162 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.202 -9.264 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.212 -10.707 6.163 1.00 0.00 H new ATOM 894 N GLU A 57 -8.995 -10.518 3.887 1.00 0.00 N ATOM 895 CA GLU A 57 -9.055 -10.993 2.509 1.00 0.00 C ATOM 896 C GLU A 57 -10.462 -10.835 1.941 1.00 0.00 C ATOM 897 O GLU A 57 -10.643 -10.685 0.732 1.00 0.00 O ATOM 898 CB GLU A 57 -8.624 -12.459 2.433 1.00 0.00 C ATOM 899 CG GLU A 57 -7.134 -12.668 2.648 1.00 0.00 C ATOM 900 CD GLU A 57 -6.758 -14.133 2.747 1.00 0.00 C ATOM 901 OE1 GLU A 57 -6.491 -14.750 1.695 1.00 0.00 O ATOM 902 OE2 GLU A 57 -6.731 -14.663 3.878 1.00 0.00 O ATOM 0 H GLU A 57 -8.730 -11.230 4.568 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.371 -10.389 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.174 -13.030 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.902 -12.860 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.585 -12.211 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.827 -12.156 3.560 1.00 0.00 H new ATOM 909 N LYS A 58 -11.457 -10.871 2.821 1.00 0.00 N ATOM 910 CA LYS A 58 -12.849 -10.732 2.409 1.00 0.00 C ATOM 911 C LYS A 58 -13.017 -9.560 1.447 1.00 0.00 C ATOM 912 O LYS A 58 -13.767 -9.646 0.475 1.00 0.00 O ATOM 913 CB LYS A 58 -13.747 -10.534 3.632 1.00 0.00 C ATOM 914 CG LYS A 58 -13.040 -9.876 4.805 1.00 0.00 C ATOM 915 CD LYS A 58 -14.003 -9.056 5.647 1.00 0.00 C ATOM 916 CE LYS A 58 -14.644 -9.897 6.740 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.964 -9.350 7.159 1.00 0.00 N ATOM 0 H LYS A 58 -11.325 -10.995 3.825 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.143 -11.647 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.605 -9.925 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.134 -11.502 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.573 -10.641 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.241 -9.234 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.471 -8.217 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.779 -8.635 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.771 -10.919 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.979 -9.940 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.337 -9.911 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.850 -8.361 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.628 -9.395 6.360 1.00 0.00 H new ATOM 931 N GLU A 59 -12.312 -8.467 1.723 1.00 0.00 N ATOM 932 CA GLU A 59 -12.384 -7.279 0.881 1.00 0.00 C ATOM 933 C GLU A 59 -13.803 -6.720 0.850 1.00 0.00 C ATOM 934 O GLU A 59 -14.304 -6.329 -0.205 1.00 0.00 O ATOM 935 CB GLU A 59 -11.922 -7.606 -0.541 1.00 0.00 C ATOM 936 CG GLU A 59 -10.429 -7.871 -0.649 1.00 0.00 C ATOM 937 CD GLU A 59 -10.067 -8.666 -1.888 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.420 -8.225 -3.002 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.429 -9.730 -1.744 1.00 0.00 O ATOM 0 H GLU A 59 -11.685 -8.380 2.523 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.723 -6.523 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.465 -8.481 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.184 -6.778 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.895 -6.921 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.095 -8.412 0.236 1.00 0.00 H new ATOM 946 N GLU A 60 -14.445 -6.685 2.013 1.00 0.00 N ATOM 947 CA GLU A 60 -15.807 -6.175 2.118 1.00 0.00 C ATOM 948 C GLU A 60 -15.867 -4.700 1.730 1.00 0.00 C ATOM 949 O GLU A 60 -16.621 -4.312 0.838 1.00 0.00 O ATOM 950 CB GLU A 60 -16.337 -6.360 3.542 1.00 0.00 C ATOM 951 CG GLU A 60 -16.871 -7.756 3.815 1.00 0.00 C ATOM 952 CD GLU A 60 -18.141 -8.056 3.044 1.00 0.00 C ATOM 953 OE1 GLU A 60 -19.089 -7.246 3.124 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.189 -9.100 2.361 1.00 0.00 O ATOM 0 H GLU A 60 -14.044 -7.003 2.895 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.433 -6.741 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.537 -6.141 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.130 -5.635 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.109 -8.490 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.064 -7.865 4.882 1.00 0.00 H new ATOM 961 N SER A 61 -15.067 -3.883 2.407 1.00 0.00 N ATOM 962 CA SER A 61 -15.031 -2.450 2.137 1.00 0.00 C ATOM 963 C SER A 61 -13.598 -1.928 2.160 1.00 0.00 C ATOM 964 O SER A 61 -12.804 -2.303 3.024 1.00 0.00 O ATOM 965 CB SER A 61 -15.878 -1.695 3.163 1.00 0.00 C ATOM 966 OG SER A 61 -17.250 -1.722 2.811 1.00 0.00 O ATOM 0 H SER A 61 -14.435 -4.189 3.147 1.00 0.00 H new ATOM 0 HA SER A 61 -15.444 -2.282 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.743 -2.141 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.537 -0.662 3.231 1.00 0.00 H new ATOM 0 HG SER A 61 -17.770 -1.234 3.483 1.00 0.00 H new ATOM 972 N ILE A 62 -13.274 -1.063 1.206 1.00 0.00 N ATOM 973 CA ILE A 62 -11.938 -0.488 1.117 1.00 0.00 C ATOM 974 C ILE A 62 -11.662 0.446 2.290 1.00 0.00 C ATOM 975 O ILE A 62 -12.419 1.384 2.542 1.00 0.00 O ATOM 976 CB ILE A 62 -11.745 0.288 -0.199 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.929 -0.645 -1.398 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.370 0.939 -0.234 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.958 0.078 -2.727 1.00 0.00 C ATOM 0 H ILE A 62 -13.919 -0.744 0.483 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.234 -1.320 1.145 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.499 1.074 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.119 -1.375 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.858 -1.202 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.249 1.484 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.273 1.630 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.601 0.170 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.091 -0.645 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.785 0.788 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.019 0.612 -2.871 1.00 0.00 H new ATOM 991 N LEU A 63 -10.572 0.185 3.003 1.00 0.00 N ATOM 992 CA LEU A 63 -10.194 1.004 4.150 1.00 0.00 C ATOM 993 C LEU A 63 -9.528 2.300 3.698 1.00 0.00 C ATOM 994 O LEU A 63 -9.800 3.371 4.239 1.00 0.00 O ATOM 995 CB LEU A 63 -9.249 0.226 5.068 1.00 0.00 C ATOM 996 CG LEU A 63 -9.697 -1.185 5.451 1.00 0.00 C ATOM 997 CD1 LEU A 63 -8.579 -1.923 6.170 1.00 0.00 C ATOM 998 CD2 LEU A 63 -10.947 -1.132 6.317 1.00 0.00 C ATOM 0 H LEU A 63 -9.934 -0.587 2.807 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.101 1.255 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.276 0.157 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.107 0.802 5.983 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.936 -1.730 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.916 -2.925 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.710 -1.993 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.308 -1.380 7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.251 -2.145 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.736 -0.569 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.751 -0.643 5.766 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.656 2.194 2.699 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.967 3.365 2.190 1.00 0.00 C ATOM 1012 C GLY A 64 -7.253 3.094 0.881 1.00 0.00 C ATOM 1013 O GLY A 64 -6.517 2.114 0.759 1.00 0.00 O ATOM 0 H GLY A 64 -8.415 1.319 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.685 4.172 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.244 3.708 2.930 1.00 0.00 H new ATOM 1017 N SER A 65 -7.470 3.962 -0.102 1.00 0.00 N ATOM 1018 CA SER A 65 -6.846 3.808 -1.411 1.00 0.00 C ATOM 1019 C SER A 65 -5.626 4.715 -1.541 1.00 0.00 C ATOM 1020 O SER A 65 -5.579 5.797 -0.954 1.00 0.00 O ATOM 1021 CB SER A 65 -7.851 4.123 -2.520 1.00 0.00 C ATOM 1022 OG SER A 65 -8.498 5.362 -2.284 1.00 0.00 O ATOM 0 H SER A 65 -8.074 4.780 -0.017 1.00 0.00 H new ATOM 0 HA SER A 65 -6.520 2.773 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.339 4.154 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.593 3.327 -2.580 1.00 0.00 H new ATOM 0 HG SER A 65 -9.134 5.542 -3.007 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.643 4.267 -2.314 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.424 5.038 -2.523 1.00 0.00 C ATOM 1030 C ILE A 66 -2.895 4.857 -3.941 1.00 0.00 C ATOM 1031 O ILE A 66 -2.521 3.759 -4.355 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.325 4.636 -1.521 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.793 4.893 -0.087 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.041 5.399 -1.810 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.049 4.076 0.946 1.00 0.00 C ATOM 0 H ILE A 66 -4.667 3.374 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.682 6.085 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.124 3.570 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.671 5.952 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.858 4.672 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.274 5.104 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.701 5.170 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.227 6.470 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.433 4.309 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.191 3.015 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.986 4.315 0.902 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.859 5.959 -4.705 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.375 5.947 -6.089 1.00 0.00 C ATOM 1049 C PRO A 67 -0.869 5.721 -6.174 1.00 0.00 C ATOM 1050 O PRO A 67 -0.084 6.477 -5.600 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.736 7.344 -6.602 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.792 8.194 -5.380 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.289 7.300 -4.277 1.00 0.00 C ATOM 0 HA PRO A 67 -2.817 5.137 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.990 7.712 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.692 7.339 -7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.809 8.599 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.460 9.043 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.857 7.572 -3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.372 7.359 -4.169 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.473 4.677 -6.893 1.00 0.00 N ATOM 1062 CA LEU A 68 0.940 4.351 -7.054 1.00 0.00 C ATOM 1063 C LEU A 68 1.495 4.957 -8.340 1.00 0.00 C ATOM 1064 O LEU A 68 2.672 5.314 -8.412 1.00 0.00 O ATOM 1065 CB LEU A 68 1.136 2.834 -7.066 1.00 0.00 C ATOM 1066 CG LEU A 68 1.194 2.154 -5.697 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.188 0.642 -5.852 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.425 2.609 -4.928 1.00 0.00 C ATOM 0 H LEU A 68 -1.110 4.042 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 68 1.484 4.774 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.322 2.387 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.060 2.611 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 68 0.309 2.444 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.230 0.175 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.276 0.332 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.054 0.333 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.450 2.115 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.322 2.349 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.386 3.689 -4.785 1.00 0.00 H new ATOM 1080 N LEU A 69 0.641 5.071 -9.351 1.00 0.00 N ATOM 1081 CA LEU A 69 1.046 5.636 -10.634 1.00 0.00 C ATOM 1082 C LEU A 69 1.667 7.016 -10.449 1.00 0.00 C ATOM 1083 O LEU A 69 2.285 7.557 -11.366 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.157 5.727 -11.575 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.951 7.032 -11.525 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -2.173 6.949 -12.426 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.362 7.352 -10.095 1.00 0.00 C ATOM 0 H LEU A 69 -0.336 4.780 -9.308 1.00 0.00 H new ATOM 0 HA LEU A 69 1.795 4.977 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.194 5.577 -12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.834 4.904 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.312 7.837 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.726 7.887 -12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.856 6.768 -13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.815 6.132 -12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.926 8.284 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.983 6.545 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.471 7.456 -9.475 1.00 0.00 H new ATOM 1099 N SER A 70 1.500 7.580 -9.257 1.00 0.00 N ATOM 1100 CA SER A 70 2.043 8.899 -8.952 1.00 0.00 C ATOM 1101 C SER A 70 2.961 8.840 -7.735 1.00 0.00 C ATOM 1102 O SER A 70 2.936 9.726 -6.880 1.00 0.00 O ATOM 1103 CB SER A 70 0.910 9.895 -8.703 1.00 0.00 C ATOM 1104 OG SER A 70 0.004 9.404 -7.730 1.00 0.00 O ATOM 0 H SER A 70 0.993 7.144 -8.487 1.00 0.00 H new ATOM 0 HA SER A 70 2.627 9.232 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.325 10.847 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.379 10.087 -9.635 1.00 0.00 H new ATOM 0 HG SER A 70 -0.710 10.060 -7.588 1.00 0.00 H new ATOM 1110 N PHE A 71 3.772 7.790 -7.664 1.00 0.00 N ATOM 1111 CA PHE A 71 4.699 7.613 -6.551 1.00 0.00 C ATOM 1112 C PHE A 71 6.009 6.992 -7.027 1.00 0.00 C ATOM 1113 O PHE A 71 6.183 6.721 -8.215 1.00 0.00 O ATOM 1114 CB PHE A 71 4.068 6.734 -5.469 1.00 0.00 C ATOM 1115 CG PHE A 71 3.216 7.499 -4.497 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.005 8.043 -4.895 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.625 7.673 -3.185 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.220 8.747 -4.002 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.844 8.376 -2.287 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.639 8.913 -2.697 1.00 0.00 C ATOM 0 H PHE A 71 3.807 7.049 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 71 4.915 8.595 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.460 5.965 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.859 6.221 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.671 7.915 -5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.566 7.254 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.279 9.167 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.175 8.505 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.026 9.462 -1.998 1.00 0.00 H new ATOM 1130 N ARG A 72 6.926 6.771 -6.092 1.00 0.00 N ATOM 1131 CA ARG A 72 8.221 6.185 -6.415 1.00 0.00 C ATOM 1132 C ARG A 72 8.587 5.091 -5.416 1.00 0.00 C ATOM 1133 O ARG A 72 9.233 5.354 -4.401 1.00 0.00 O ATOM 1134 CB ARG A 72 9.305 7.264 -6.427 1.00 0.00 C ATOM 1135 CG ARG A 72 10.465 6.951 -7.358 1.00 0.00 C ATOM 1136 CD ARG A 72 11.216 8.213 -7.755 1.00 0.00 C ATOM 1137 NE ARG A 72 12.506 7.911 -8.371 1.00 0.00 N ATOM 1138 CZ ARG A 72 13.462 8.815 -8.554 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.275 10.070 -8.169 1.00 0.00 N ATOM 1140 NH2 ARG A 72 14.608 8.463 -9.122 1.00 0.00 N ATOM 0 H ARG A 72 6.796 6.989 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 72 8.152 5.739 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.858 8.213 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.687 7.394 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.149 6.258 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.091 6.452 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.609 8.793 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.372 8.835 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 72 12.682 6.954 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.395 10.343 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.011 10.762 -8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.755 7.498 -9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.342 9.157 -9.262 1.00 0.00 H new ATOM 1154 N VAL A 73 8.169 3.864 -5.710 1.00 0.00 N ATOM 1155 CA VAL A 73 8.453 2.730 -4.838 1.00 0.00 C ATOM 1156 C VAL A 73 9.933 2.364 -4.878 1.00 0.00 C ATOM 1157 O VAL A 73 10.572 2.434 -5.927 1.00 0.00 O ATOM 1158 CB VAL A 73 7.619 1.497 -5.231 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.926 0.328 -4.307 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.135 1.829 -5.210 1.00 0.00 C ATOM 0 H VAL A 73 7.633 3.630 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 73 8.184 3.033 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 73 7.888 1.206 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.327 -0.534 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.984 0.076 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.687 0.604 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.561 0.946 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.847 2.146 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.932 2.633 -5.917 1.00 0.00 H new ATOM 1170 N ALA A 74 10.471 1.971 -3.728 1.00 0.00 N ATOM 1171 CA ALA A 74 11.874 1.591 -3.631 1.00 0.00 C ATOM 1172 C ALA A 74 12.200 1.039 -2.247 1.00 0.00 C ATOM 1173 O ALA A 74 11.563 1.401 -1.259 1.00 0.00 O ATOM 1174 CB ALA A 74 12.767 2.781 -3.951 1.00 0.00 C ATOM 0 H ALA A 74 9.955 1.908 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 74 12.062 0.803 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.812 2.482 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.562 3.128 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.567 3.586 -3.244 1.00 0.00 H new ATOM 1180 N ALA A 75 13.195 0.161 -2.184 1.00 0.00 N ATOM 1181 CA ALA A 75 13.606 -0.440 -0.921 1.00 0.00 C ATOM 1182 C ALA A 75 14.106 0.621 0.053 1.00 0.00 C ATOM 1183 O ALA A 75 14.773 1.577 -0.343 1.00 0.00 O ATOM 1184 CB ALA A 75 14.681 -1.489 -1.161 1.00 0.00 C ATOM 0 H ALA A 75 13.732 -0.150 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 75 12.736 -0.923 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.978 -1.929 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.289 -2.268 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.547 -1.022 -1.631 1.00 0.00 H new ATOM 1190 N VAL A 76 13.781 0.446 1.330 1.00 0.00 N ATOM 1191 CA VAL A 76 14.198 1.388 2.362 1.00 0.00 C ATOM 1192 C VAL A 76 15.685 1.704 2.248 1.00 0.00 C ATOM 1193 O VAL A 76 16.379 1.166 1.387 1.00 0.00 O ATOM 1194 CB VAL A 76 13.907 0.841 3.772 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.430 0.987 4.107 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.345 -0.612 3.881 1.00 0.00 C ATOM 0 H VAL A 76 13.230 -0.340 1.675 1.00 0.00 H new ATOM 0 HA VAL A 76 13.622 2.301 2.209 1.00 0.00 H new ATOM 0 HB VAL A 76 14.479 1.424 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.243 0.595 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.151 2.040 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.836 0.430 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.132 -0.982 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.802 -1.211 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.415 -0.685 3.687 1.00 0.00 H new ATOM 1206 N GLN A 77 16.166 2.580 3.124 1.00 0.00 N ATOM 1207 CA GLN A 77 17.572 2.968 3.122 1.00 0.00 C ATOM 1208 C GLN A 77 18.314 2.333 4.293 1.00 0.00 C ATOM 1209 O GLN A 77 17.712 1.850 5.252 1.00 0.00 O ATOM 1210 CB GLN A 77 17.702 4.491 3.185 1.00 0.00 C ATOM 1211 CG GLN A 77 17.803 5.151 1.820 1.00 0.00 C ATOM 1212 CD GLN A 77 18.307 6.578 1.897 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.315 6.859 2.545 1.00 0.00 O ATOM 1214 NE2 GLN A 77 17.605 7.490 1.234 1.00 0.00 N ATOM 0 H GLN A 77 15.604 3.034 3.844 1.00 0.00 H new ATOM 0 HA GLN A 77 18.021 2.610 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.840 4.899 3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.585 4.748 3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.472 4.567 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.823 5.141 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.775 7.213 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.896 8.468 1.249 1.00 0.00 H new ATOM 1223 N PRO A 78 19.653 2.332 4.215 1.00 0.00 N ATOM 1224 CA PRO A 78 20.506 1.759 5.260 1.00 0.00 C ATOM 1225 C PRO A 78 20.484 2.583 6.543 1.00 0.00 C ATOM 1226 O PRO A 78 20.847 3.760 6.543 1.00 0.00 O ATOM 1227 CB PRO A 78 21.902 1.785 4.632 1.00 0.00 C ATOM 1228 CG PRO A 78 21.845 2.884 3.628 1.00 0.00 C ATOM 1229 CD PRO A 78 20.437 2.890 3.101 1.00 0.00 C ATOM 0 HA PRO A 78 20.175 0.764 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.670 1.973 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.143 0.831 4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.095 3.842 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.562 2.716 2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.109 3.897 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.343 2.284 2.200 1.00 0.00 H new ATOM 1237 N SER A 79 20.056 1.958 7.635 1.00 0.00 N ATOM 1238 CA SER A 79 19.983 2.636 8.925 1.00 0.00 C ATOM 1239 C SER A 79 18.795 3.591 8.970 1.00 0.00 C ATOM 1240 O SER A 79 18.895 4.699 9.498 1.00 0.00 O ATOM 1241 CB SER A 79 21.279 3.402 9.196 1.00 0.00 C ATOM 1242 OG SER A 79 21.501 3.553 10.587 1.00 0.00 O ATOM 0 H SER A 79 19.755 0.984 7.653 1.00 0.00 H new ATOM 0 HA SER A 79 19.848 1.880 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.119 2.873 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.231 4.383 8.724 1.00 0.00 H new ATOM 0 HG SER A 79 22.336 4.044 10.734 1.00 0.00 H new ATOM 1248 N ASP A 80 17.671 3.154 8.413 1.00 0.00 N ATOM 1249 CA ASP A 80 16.462 3.969 8.390 1.00 0.00 C ATOM 1250 C ASP A 80 15.644 3.764 9.661 1.00 0.00 C ATOM 1251 O ASP A 80 14.457 4.084 9.706 1.00 0.00 O ATOM 1252 CB ASP A 80 15.614 3.627 7.163 1.00 0.00 C ATOM 1253 CG ASP A 80 15.991 4.455 5.950 1.00 0.00 C ATOM 1254 OD1 ASP A 80 17.140 4.941 5.898 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.137 4.618 5.054 1.00 0.00 O ATOM 0 H ASP A 80 17.572 2.240 7.971 1.00 0.00 H new ATOM 0 HA ASP A 80 16.760 5.016 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.731 2.569 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.561 3.788 7.396 1.00 0.00 H new ATOM 1260 N ASN A 81 16.289 3.228 10.693 1.00 0.00 N ATOM 1261 CA ASN A 81 15.621 2.979 11.965 1.00 0.00 C ATOM 1262 C ASN A 81 14.486 1.973 11.796 1.00 0.00 C ATOM 1263 O ASN A 81 13.448 2.078 12.450 1.00 0.00 O ATOM 1264 CB ASN A 81 15.076 4.287 12.544 1.00 0.00 C ATOM 1265 CG ASN A 81 16.099 5.406 12.508 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.937 6.387 11.783 1.00 0.00 O ATOM 1267 ND2 ASN A 81 17.160 5.262 13.294 1.00 0.00 N ATOM 0 H ASN A 81 17.272 2.958 10.673 1.00 0.00 H new ATOM 0 HA ASN A 81 16.354 2.561 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.192 4.589 11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.759 4.121 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.882 5.982 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.253 4.431 13.879 1.00 0.00 H new ATOM 1274 N ILE A 82 14.693 0.999 10.917 1.00 0.00 N ATOM 1275 CA ILE A 82 13.688 -0.026 10.663 1.00 0.00 C ATOM 1276 C ILE A 82 14.176 -1.397 11.119 1.00 0.00 C ATOM 1277 O ILE A 82 14.910 -2.076 10.402 1.00 0.00 O ATOM 1278 CB ILE A 82 13.319 -0.095 9.170 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.772 1.252 8.694 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.302 -1.201 8.926 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.413 1.589 9.267 1.00 0.00 C ATOM 0 H ILE A 82 15.547 0.898 10.369 1.00 0.00 H new ATOM 0 HA ILE A 82 12.802 0.251 11.235 1.00 0.00 H new ATOM 0 HB ILE A 82 14.219 -0.323 8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.477 2.038 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.707 1.245 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.051 -1.237 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.725 -2.158 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.401 -1.001 9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.088 2.557 8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.694 0.824 8.974 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.476 1.629 10.354 1.00 0.00 H new ATOM 1293 N SER A 83 13.760 -1.800 12.316 1.00 0.00 N ATOM 1294 CA SER A 83 14.155 -3.090 12.869 1.00 0.00 C ATOM 1295 C SER A 83 14.194 -4.158 11.780 1.00 0.00 C ATOM 1296 O SER A 83 15.130 -4.955 11.711 1.00 0.00 O ATOM 1297 CB SER A 83 13.190 -3.510 13.978 1.00 0.00 C ATOM 1298 OG SER A 83 13.054 -2.488 14.950 1.00 0.00 O ATOM 0 H SER A 83 13.149 -1.251 12.921 1.00 0.00 H new ATOM 0 HA SER A 83 15.156 -2.987 13.289 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.215 -3.739 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.552 -4.422 14.453 1.00 0.00 H new ATOM 0 HG SER A 83 12.430 -2.781 15.647 1.00 0.00 H new ATOM 1304 N ARG A 84 13.171 -4.167 10.932 1.00 0.00 N ATOM 1305 CA ARG A 84 13.087 -5.138 9.848 1.00 0.00 C ATOM 1306 C ARG A 84 14.208 -4.922 8.836 1.00 0.00 C ATOM 1307 O ARG A 84 14.985 -3.973 8.947 1.00 0.00 O ATOM 1308 CB ARG A 84 11.729 -5.038 9.150 1.00 0.00 C ATOM 1309 CG ARG A 84 10.547 -5.122 10.102 1.00 0.00 C ATOM 1310 CD ARG A 84 9.260 -5.453 9.363 1.00 0.00 C ATOM 1311 NE ARG A 84 9.176 -6.869 9.016 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.932 -7.829 9.901 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.747 -7.527 11.179 1.00 0.00 N ATOM 1314 NH2 ARG A 84 8.871 -9.095 9.509 1.00 0.00 N ATOM 0 H ARG A 84 12.389 -3.513 10.975 1.00 0.00 H new ATOM 0 HA ARG A 84 13.195 -6.134 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.679 -4.096 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.649 -5.837 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.740 -5.883 10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.433 -4.174 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.406 -5.181 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.199 -4.853 8.455 1.00 0.00 H new ATOM 0 HE ARG A 84 9.312 -7.135 8.041 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.792 -6.555 11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.560 -8.267 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.012 -9.332 8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.684 -9.831 10.190 1.00 0.00 H new ATOM 1328 N LYS A 85 14.287 -5.808 7.849 1.00 0.00 N ATOM 1329 CA LYS A 85 15.312 -5.715 6.816 1.00 0.00 C ATOM 1330 C LYS A 85 14.684 -5.496 5.444 1.00 0.00 C ATOM 1331 O LYS A 85 14.829 -4.429 4.847 1.00 0.00 O ATOM 1332 CB LYS A 85 16.166 -6.985 6.801 1.00 0.00 C ATOM 1333 CG LYS A 85 17.269 -6.989 7.845 1.00 0.00 C ATOM 1334 CD LYS A 85 18.403 -7.922 7.454 1.00 0.00 C ATOM 1335 CE LYS A 85 19.515 -7.912 8.493 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.179 -8.758 9.672 1.00 0.00 N ATOM 0 H LYS A 85 13.653 -6.600 7.743 1.00 0.00 H new ATOM 0 HA LYS A 85 15.947 -4.859 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.521 -7.848 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.612 -7.101 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.656 -5.978 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.859 -7.296 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.019 -8.936 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.805 -7.623 6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.439 -8.271 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.697 -6.888 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.961 -8.725 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.311 -8.400 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.030 -9.740 9.364 1.00 0.00 H new ATOM 1350 N HIS A 86 13.983 -6.511 4.950 1.00 0.00 N ATOM 1351 CA HIS A 86 13.330 -6.428 3.648 1.00 0.00 C ATOM 1352 C HIS A 86 12.112 -5.511 3.709 1.00 0.00 C ATOM 1353 O HIS A 86 10.982 -5.971 3.877 1.00 0.00 O ATOM 1354 CB HIS A 86 12.912 -7.820 3.173 1.00 0.00 C ATOM 1355 CG HIS A 86 13.780 -8.919 3.703 1.00 0.00 C ATOM 1356 ND1 HIS A 86 15.074 -9.129 3.274 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.535 -9.872 4.633 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.586 -10.164 3.916 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.672 -10.632 4.747 1.00 0.00 N ATOM 0 H HIS A 86 13.852 -7.401 5.431 1.00 0.00 H new ATOM 0 HA HIS A 86 14.043 -6.010 2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.881 -8.004 3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.933 -7.845 2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.616 -10.009 5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.582 -10.560 3.784 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.792 -11.429 5.372 1.00 0.00 H new ATOM 1368 N THR A 87 12.349 -4.210 3.571 1.00 0.00 N ATOM 1369 CA THR A 87 11.273 -3.229 3.612 1.00 0.00 C ATOM 1370 C THR A 87 11.324 -2.305 2.401 1.00 0.00 C ATOM 1371 O THR A 87 12.380 -2.117 1.796 1.00 0.00 O ATOM 1372 CB THR A 87 11.336 -2.379 4.896 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.327 -3.229 6.048 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.163 -1.412 4.963 1.00 0.00 C ATOM 0 H THR A 87 13.277 -3.812 3.430 1.00 0.00 H new ATOM 0 HA THR A 87 10.337 -3.787 3.600 1.00 0.00 H new ATOM 0 HB THR A 87 12.261 -1.803 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.902 -2.761 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.229 -0.823 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.190 -0.747 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.228 -1.973 4.959 1.00 0.00 H new ATOM 1382 N PHE A 88 10.179 -1.728 2.053 1.00 0.00 N ATOM 1383 CA PHE A 88 10.094 -0.823 0.913 1.00 0.00 C ATOM 1384 C PHE A 88 9.066 0.276 1.166 1.00 0.00 C ATOM 1385 O PHE A 88 7.937 0.004 1.576 1.00 0.00 O ATOM 1386 CB PHE A 88 9.726 -1.598 -0.354 1.00 0.00 C ATOM 1387 CG PHE A 88 8.461 -2.397 -0.223 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.421 -3.528 0.576 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.313 -2.017 -0.898 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.258 -4.266 0.698 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.147 -2.750 -0.780 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.120 -3.875 0.020 1.00 0.00 C ATOM 0 H PHE A 88 9.297 -1.871 2.544 1.00 0.00 H new ATOM 0 HA PHE A 88 11.071 -0.359 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.619 -0.896 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.545 -2.270 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.308 -3.837 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.329 -1.137 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.240 -5.147 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.259 -2.443 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.210 -4.449 0.116 1.00 0.00 H new ATOM 1402 N LYS A 89 9.465 1.519 0.920 1.00 0.00 N ATOM 1403 CA LYS A 89 8.581 2.661 1.120 1.00 0.00 C ATOM 1404 C LYS A 89 8.391 3.436 -0.180 1.00 0.00 C ATOM 1405 O LYS A 89 9.309 3.538 -0.992 1.00 0.00 O ATOM 1406 CB LYS A 89 9.146 3.586 2.201 1.00 0.00 C ATOM 1407 CG LYS A 89 10.270 4.480 1.708 1.00 0.00 C ATOM 1408 CD LYS A 89 11.622 3.796 1.832 1.00 0.00 C ATOM 1409 CE LYS A 89 12.597 4.293 0.776 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.061 5.680 1.058 1.00 0.00 N ATOM 0 H LYS A 89 10.396 1.761 0.581 1.00 0.00 H new ATOM 0 HA LYS A 89 7.610 2.286 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.341 4.209 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.511 2.981 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.092 4.750 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.276 5.407 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.034 3.979 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.496 2.718 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.457 3.624 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.119 4.262 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.724 5.982 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.244 6.323 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.540 5.705 1.981 1.00 0.00 H new ATOM 1424 N ALA A 90 7.194 3.982 -0.368 1.00 0.00 N ATOM 1425 CA ALA A 90 6.885 4.751 -1.567 1.00 0.00 C ATOM 1426 C ALA A 90 6.885 6.247 -1.275 1.00 0.00 C ATOM 1427 O ALA A 90 6.664 6.667 -0.139 1.00 0.00 O ATOM 1428 CB ALA A 90 5.541 4.323 -2.137 1.00 0.00 C ATOM 0 H ALA A 90 6.422 3.906 0.295 1.00 0.00 H new ATOM 0 HA ALA A 90 7.661 4.552 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.323 4.906 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.575 3.264 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.761 4.492 -1.395 1.00 0.00 H new ATOM 1434 N GLU A 91 7.135 7.047 -2.307 1.00 0.00 N ATOM 1435 CA GLU A 91 7.166 8.498 -2.158 1.00 0.00 C ATOM 1436 C GLU A 91 6.760 9.186 -3.459 1.00 0.00 C ATOM 1437 O GLU A 91 7.246 8.839 -4.536 1.00 0.00 O ATOM 1438 CB GLU A 91 8.562 8.960 -1.737 1.00 0.00 C ATOM 1439 CG GLU A 91 8.985 10.275 -2.372 1.00 0.00 C ATOM 1440 CD GLU A 91 10.011 11.020 -1.541 1.00 0.00 C ATOM 1441 OE1 GLU A 91 10.982 10.382 -1.084 1.00 0.00 O ATOM 1442 OE2 GLU A 91 9.843 12.243 -1.349 1.00 0.00 O ATOM 0 H GLU A 91 7.319 6.716 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 91 6.452 8.774 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.589 9.065 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.286 8.189 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.397 10.080 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.107 10.906 -2.511 1.00 0.00 H new ATOM 1449 N HIS A 92 5.866 10.164 -3.350 1.00 0.00 N ATOM 1450 CA HIS A 92 5.395 10.902 -4.517 1.00 0.00 C ATOM 1451 C HIS A 92 6.087 12.257 -4.618 1.00 0.00 C ATOM 1452 O HIS A 92 6.059 12.902 -5.666 1.00 0.00 O ATOM 1453 CB HIS A 92 3.880 11.094 -4.447 1.00 0.00 C ATOM 1454 CG HIS A 92 3.381 12.230 -5.286 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.702 13.310 -4.764 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.467 12.449 -6.619 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.390 14.145 -5.739 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.843 13.646 -6.875 1.00 0.00 N ATOM 0 H HIS A 92 5.454 10.464 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 92 5.640 10.322 -5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.390 10.174 -4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.591 11.265 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.938 11.803 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.856 15.077 -5.626 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.745 14.079 -7.793 1.00 0.00 H new ATOM 1467 N ALA A 93 6.708 12.683 -3.523 1.00 0.00 N ATOM 1468 CA ALA A 93 7.408 13.961 -3.489 1.00 0.00 C ATOM 1469 C ALA A 93 6.428 15.126 -3.562 1.00 0.00 C ATOM 1470 O ALA A 93 6.607 16.052 -4.353 1.00 0.00 O ATOM 1471 CB ALA A 93 8.414 14.042 -4.629 1.00 0.00 C ATOM 0 H ALA A 93 6.740 12.161 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 93 7.942 14.029 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.930 15.002 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.141 13.235 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.893 13.947 -5.582 1.00 0.00 H new ATOM 1477 N GLY A 94 5.390 15.074 -2.732 1.00 0.00 N ATOM 1478 CA GLY A 94 4.397 16.132 -2.720 1.00 0.00 C ATOM 1479 C GLY A 94 3.252 15.841 -1.770 1.00 0.00 C ATOM 1480 O GLY A 94 2.615 16.759 -1.253 1.00 0.00 O ATOM 0 H GLY A 94 5.220 14.318 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.873 17.070 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.004 16.269 -3.727 1.00 0.00 H new ATOM 1484 N VAL A 95 2.988 14.558 -1.540 1.00 0.00 N ATOM 1485 CA VAL A 95 1.911 14.148 -0.646 1.00 0.00 C ATOM 1486 C VAL A 95 2.465 13.542 0.639 1.00 0.00 C ATOM 1487 O VAL A 95 2.288 14.095 1.724 1.00 0.00 O ATOM 1488 CB VAL A 95 0.979 13.126 -1.323 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.184 12.775 -0.406 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.475 13.664 -2.653 1.00 0.00 C ATOM 0 H VAL A 95 3.505 13.785 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 95 1.340 15.045 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 95 1.546 12.216 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.832 12.052 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.199 12.345 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.753 13.676 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.182 12.929 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.076 14.589 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.322 13.860 -3.311 1.00 0.00 H new ATOM 1500 N ARG A 96 3.136 12.403 0.508 1.00 0.00 N ATOM 1501 CA ARG A 96 3.715 11.720 1.659 1.00 0.00 C ATOM 1502 C ARG A 96 4.527 10.505 1.219 1.00 0.00 C ATOM 1503 O ARG A 96 4.654 10.228 0.025 1.00 0.00 O ATOM 1504 CB ARG A 96 2.615 11.288 2.629 1.00 0.00 C ATOM 1505 CG ARG A 96 1.844 10.062 2.169 1.00 0.00 C ATOM 1506 CD ARG A 96 0.475 9.985 2.827 1.00 0.00 C ATOM 1507 NE ARG A 96 0.566 9.628 4.240 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.466 9.664 5.075 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.662 10.038 4.641 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -0.304 9.324 6.348 1.00 0.00 N ATOM 0 H ARG A 96 3.292 11.933 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 96 4.383 12.417 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.061 11.082 3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.918 12.115 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.727 10.090 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.413 9.163 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.029 10.946 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.137 9.249 2.306 1.00 0.00 H new ATOM 0 HE ARG A 96 1.472 9.335 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.791 10.299 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.453 10.065 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.614 9.035 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.097 9.352 6.988 1.00 0.00 H new ATOM 1524 N THR A 97 5.075 9.782 2.191 1.00 0.00 N ATOM 1525 CA THR A 97 5.875 8.598 1.904 1.00 0.00 C ATOM 1526 C THR A 97 5.373 7.393 2.691 1.00 0.00 C ATOM 1527 O THR A 97 5.611 7.281 3.893 1.00 0.00 O ATOM 1528 CB THR A 97 7.361 8.831 2.236 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.831 10.012 1.577 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.203 7.638 1.811 1.00 0.00 C ATOM 0 H THR A 97 4.979 9.996 3.184 1.00 0.00 H new ATOM 0 HA THR A 97 5.776 8.399 0.837 1.00 0.00 H new ATOM 0 HB THR A 97 7.454 8.956 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.776 10.154 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.249 7.825 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.862 6.746 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.103 7.487 0.736 1.00 0.00 H new ATOM 1538 N TYR A 98 4.678 6.492 2.004 1.00 0.00 N ATOM 1539 CA TYR A 98 4.141 5.295 2.640 1.00 0.00 C ATOM 1540 C TYR A 98 5.226 4.236 2.811 1.00 0.00 C ATOM 1541 O TYR A 98 6.217 4.222 2.081 1.00 0.00 O ATOM 1542 CB TYR A 98 2.986 4.728 1.813 1.00 0.00 C ATOM 1543 CG TYR A 98 1.689 5.488 1.982 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.890 5.296 3.102 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.265 6.398 1.022 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.295 5.988 3.261 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.082 7.096 1.173 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.695 6.886 2.294 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.874 7.578 2.449 1.00 0.00 O ATOM 0 H TYR A 98 4.474 6.568 1.008 1.00 0.00 H new ATOM 0 HA TYR A 98 3.771 5.573 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.267 4.735 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.826 3.687 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.201 4.594 3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.870 6.563 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.905 5.827 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.233 7.802 0.418 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.009 8.171 1.680 1.00 0.00 H new ATOM 1559 N PHE A 99 5.030 3.350 3.782 1.00 0.00 N ATOM 1560 CA PHE A 99 5.991 2.287 4.051 1.00 0.00 C ATOM 1561 C PHE A 99 5.322 0.917 3.979 1.00 0.00 C ATOM 1562 O PHE A 99 4.144 0.771 4.308 1.00 0.00 O ATOM 1563 CB PHE A 99 6.628 2.483 5.429 1.00 0.00 C ATOM 1564 CG PHE A 99 7.847 3.360 5.406 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.726 4.739 5.476 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.114 2.806 5.314 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.846 5.549 5.456 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.237 3.611 5.294 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.103 4.984 5.364 1.00 0.00 C ATOM 0 H PHE A 99 4.215 3.347 4.395 1.00 0.00 H new ATOM 0 HA PHE A 99 6.768 2.333 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.890 2.918 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.898 1.509 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.745 5.186 5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.225 1.733 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.738 6.622 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.219 3.167 5.224 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.980 5.615 5.347 1.00 0.00 H new ATOM 1579 N PHE A 100 6.081 -0.083 3.544 1.00 0.00 N ATOM 1580 CA PHE A 100 5.562 -1.441 3.426 1.00 0.00 C ATOM 1581 C PHE A 100 6.691 -2.464 3.509 1.00 0.00 C ATOM 1582 O PHE A 100 7.651 -2.409 2.741 1.00 0.00 O ATOM 1583 CB PHE A 100 4.804 -1.607 2.107 1.00 0.00 C ATOM 1584 CG PHE A 100 3.818 -0.505 1.840 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.588 -0.488 2.477 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.122 0.513 0.950 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.679 0.524 2.233 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.217 1.528 0.703 1.00 0.00 C ATOM 1589 CZ PHE A 100 1.994 1.533 1.344 1.00 0.00 C ATOM 0 H PHE A 100 7.057 0.021 3.267 1.00 0.00 H new ATOM 0 HA PHE A 100 4.877 -1.615 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.521 -1.648 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.277 -2.561 2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.336 -1.275 3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.076 0.513 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.724 0.526 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.466 2.317 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.285 2.324 1.151 1.00 0.00 H new ATOM 1599 N SER A 101 6.568 -3.397 4.448 1.00 0.00 N ATOM 1600 CA SER A 101 7.580 -4.430 4.636 1.00 0.00 C ATOM 1601 C SER A 101 7.051 -5.793 4.200 1.00 0.00 C ATOM 1602 O SER A 101 5.859 -5.955 3.940 1.00 0.00 O ATOM 1603 CB SER A 101 8.018 -4.485 6.100 1.00 0.00 C ATOM 1604 OG SER A 101 9.061 -5.426 6.286 1.00 0.00 O ATOM 0 H SER A 101 5.778 -3.459 5.090 1.00 0.00 H new ATOM 0 HA SER A 101 8.441 -4.178 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.353 -3.498 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.167 -4.752 6.727 1.00 0.00 H new ATOM 0 HG SER A 101 9.927 -4.969 6.235 1.00 0.00 H new ATOM 1610 N ALA A 102 7.947 -6.772 4.123 1.00 0.00 N ATOM 1611 CA ALA A 102 7.572 -8.122 3.721 1.00 0.00 C ATOM 1612 C ALA A 102 8.206 -9.163 4.637 1.00 0.00 C ATOM 1613 O ALA A 102 9.401 -9.103 4.926 1.00 0.00 O ATOM 1614 CB ALA A 102 7.973 -8.373 2.275 1.00 0.00 C ATOM 0 H ALA A 102 8.938 -6.655 4.334 1.00 0.00 H new ATOM 0 HA ALA A 102 6.489 -8.213 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.687 -9.385 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.468 -7.656 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.052 -8.258 2.171 1.00 0.00 H new ATOM 1620 N GLU A 103 7.398 -10.117 5.090 1.00 0.00 N ATOM 1621 CA GLU A 103 7.882 -11.170 5.974 1.00 0.00 C ATOM 1622 C GLU A 103 9.120 -11.845 5.390 1.00 0.00 C ATOM 1623 O GLU A 103 9.879 -12.500 6.104 1.00 0.00 O ATOM 1624 CB GLU A 103 6.786 -12.210 6.213 1.00 0.00 C ATOM 1625 CG GLU A 103 5.999 -12.564 4.962 1.00 0.00 C ATOM 1626 CD GLU A 103 5.420 -13.964 5.013 1.00 0.00 C ATOM 1627 OE1 GLU A 103 6.158 -14.922 4.700 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.230 -14.103 5.365 1.00 0.00 O ATOM 0 H GLU A 103 6.407 -10.182 4.859 1.00 0.00 H new ATOM 0 HA GLU A 103 8.153 -10.713 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.238 -13.116 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.098 -11.833 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.190 -11.845 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.649 -12.475 4.091 1.00 0.00 H new ATOM 1635 N SER A 104 9.316 -11.681 4.086 1.00 0.00 N ATOM 1636 CA SER A 104 10.458 -12.278 3.403 1.00 0.00 C ATOM 1637 C SER A 104 10.949 -11.376 2.275 1.00 0.00 C ATOM 1638 O SER A 104 10.224 -10.516 1.773 1.00 0.00 O ATOM 1639 CB SER A 104 10.085 -13.653 2.847 1.00 0.00 C ATOM 1640 OG SER A 104 10.310 -14.670 3.807 1.00 0.00 O ATOM 0 H SER A 104 8.699 -11.140 3.481 1.00 0.00 H new ATOM 0 HA SER A 104 11.264 -12.394 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.037 -13.656 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.672 -13.858 1.951 1.00 0.00 H new ATOM 0 HG SER A 104 10.242 -14.290 4.708 1.00 0.00 H new ATOM 1646 N PRO A 105 12.210 -11.575 1.865 1.00 0.00 N ATOM 1647 CA PRO A 105 12.827 -10.790 0.791 1.00 0.00 C ATOM 1648 C PRO A 105 12.229 -11.108 -0.575 1.00 0.00 C ATOM 1649 O PRO A 105 12.099 -10.227 -1.425 1.00 0.00 O ATOM 1650 CB PRO A 105 14.297 -11.213 0.843 1.00 0.00 C ATOM 1651 CG PRO A 105 14.279 -12.575 1.447 1.00 0.00 C ATOM 1652 CD PRO A 105 13.131 -12.582 2.418 1.00 0.00 C ATOM 0 HA PRO A 105 12.672 -9.720 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.740 -11.228 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.887 -10.521 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.147 -13.340 0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.220 -12.790 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.663 -13.564 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.455 -12.320 3.425 1.00 0.00 H new ATOM 1660 N GLU A 106 11.868 -12.371 -0.779 1.00 0.00 N ATOM 1661 CA GLU A 106 11.284 -12.803 -2.044 1.00 0.00 C ATOM 1662 C GLU A 106 10.004 -12.029 -2.345 1.00 0.00 C ATOM 1663 O GLU A 106 9.700 -11.738 -3.501 1.00 0.00 O ATOM 1664 CB GLU A 106 10.990 -14.304 -2.008 1.00 0.00 C ATOM 1665 CG GLU A 106 12.215 -15.170 -2.246 1.00 0.00 C ATOM 1666 CD GLU A 106 13.066 -15.331 -1.001 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.503 -15.653 0.066 1.00 0.00 O ATOM 1668 OE2 GLU A 106 14.296 -15.135 -1.095 1.00 0.00 O ATOM 0 H GLU A 106 11.969 -13.112 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 106 12.005 -12.600 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.559 -14.558 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.239 -14.537 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.898 -16.153 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.818 -14.729 -3.040 1.00 0.00 H new ATOM 1675 N GLU A 107 9.257 -11.700 -1.295 1.00 0.00 N ATOM 1676 CA GLU A 107 8.009 -10.962 -1.447 1.00 0.00 C ATOM 1677 C GLU A 107 8.280 -9.480 -1.690 1.00 0.00 C ATOM 1678 O GLU A 107 7.617 -8.844 -2.508 1.00 0.00 O ATOM 1679 CB GLU A 107 7.134 -11.134 -0.204 1.00 0.00 C ATOM 1680 CG GLU A 107 6.343 -12.431 -0.192 1.00 0.00 C ATOM 1681 CD GLU A 107 5.123 -12.363 0.706 1.00 0.00 C ATOM 1682 OE1 GLU A 107 5.278 -12.555 1.931 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.015 -12.117 0.186 1.00 0.00 O ATOM 0 H GLU A 107 9.495 -11.933 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 107 7.482 -11.364 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.766 -11.095 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.441 -10.295 -0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.029 -12.670 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.989 -13.243 0.141 1.00 0.00 H new ATOM 1690 N GLN A 108 9.259 -8.938 -0.973 1.00 0.00 N ATOM 1691 CA GLN A 108 9.617 -7.531 -1.109 1.00 0.00 C ATOM 1692 C GLN A 108 9.998 -7.203 -2.549 1.00 0.00 C ATOM 1693 O GLN A 108 9.467 -6.266 -3.143 1.00 0.00 O ATOM 1694 CB GLN A 108 10.774 -7.184 -0.171 1.00 0.00 C ATOM 1695 CG GLN A 108 11.343 -5.792 -0.396 1.00 0.00 C ATOM 1696 CD GLN A 108 12.818 -5.703 -0.057 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.450 -6.704 0.284 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.375 -4.501 -0.147 1.00 0.00 N ATOM 0 H GLN A 108 9.818 -9.452 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 108 8.747 -6.933 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.431 -7.265 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.569 -7.918 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.196 -5.507 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.791 -5.075 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.814 -3.699 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.364 -4.380 0.070 1.00 0.00 H new ATOM 1707 N GLU A 109 10.922 -7.982 -3.103 1.00 0.00 N ATOM 1708 CA GLU A 109 11.374 -7.773 -4.473 1.00 0.00 C ATOM 1709 C GLU A 109 10.219 -7.932 -5.458 1.00 0.00 C ATOM 1710 O GLU A 109 10.003 -7.080 -6.320 1.00 0.00 O ATOM 1711 CB GLU A 109 12.493 -8.757 -4.820 1.00 0.00 C ATOM 1712 CG GLU A 109 11.990 -10.083 -5.366 1.00 0.00 C ATOM 1713 CD GLU A 109 13.118 -11.023 -5.747 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.038 -10.583 -6.469 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.081 -12.197 -5.323 1.00 0.00 O ATOM 0 H GLU A 109 11.371 -8.763 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 109 11.757 -6.756 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.154 -8.298 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.090 -8.944 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.359 -10.563 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.365 -9.898 -6.240 1.00 0.00 H new ATOM 1722 N ALA A 110 9.481 -9.029 -5.324 1.00 0.00 N ATOM 1723 CA ALA A 110 8.348 -9.299 -6.199 1.00 0.00 C ATOM 1724 C ALA A 110 7.343 -8.152 -6.167 1.00 0.00 C ATOM 1725 O ALA A 110 6.887 -7.685 -7.210 1.00 0.00 O ATOM 1726 CB ALA A 110 7.674 -10.605 -5.803 1.00 0.00 C ATOM 0 H ALA A 110 9.648 -9.745 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 110 8.723 -9.391 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.829 -10.794 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.389 -11.423 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.320 -10.534 -4.775 1.00 0.00 H new ATOM 1732 N TRP A 111 7.002 -7.705 -4.964 1.00 0.00 N ATOM 1733 CA TRP A 111 6.050 -6.613 -4.796 1.00 0.00 C ATOM 1734 C TRP A 111 6.500 -5.376 -5.566 1.00 0.00 C ATOM 1735 O TRP A 111 5.713 -4.762 -6.287 1.00 0.00 O ATOM 1736 CB TRP A 111 5.886 -6.275 -3.314 1.00 0.00 C ATOM 1737 CG TRP A 111 4.780 -7.038 -2.650 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.910 -8.002 -1.691 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.376 -6.902 -2.896 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.672 -8.474 -1.327 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.714 -7.814 -2.051 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.614 -6.097 -3.747 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.328 -7.942 -2.035 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.238 -6.225 -3.730 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.607 -7.141 -2.878 1.00 0.00 C ATOM 0 H TRP A 111 7.370 -8.082 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 111 5.089 -6.937 -5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.822 -6.482 -2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.694 -5.207 -3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.848 -8.343 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.495 -9.198 -0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.092 -5.387 -4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.839 -8.648 -1.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.639 -5.609 -4.384 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.470 -7.216 -2.887 1.00 0.00 H new ATOM 1756 N ILE A 112 7.769 -5.015 -5.407 1.00 0.00 N ATOM 1757 CA ILE A 112 8.323 -3.851 -6.088 1.00 0.00 C ATOM 1758 C ILE A 112 8.172 -3.976 -7.601 1.00 0.00 C ATOM 1759 O ILE A 112 7.842 -3.007 -8.283 1.00 0.00 O ATOM 1760 CB ILE A 112 9.811 -3.654 -5.746 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.975 -3.306 -4.265 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.416 -2.566 -6.621 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.412 -3.337 -3.793 1.00 0.00 C ATOM 0 H ILE A 112 8.433 -5.512 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 112 7.761 -2.984 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 112 10.340 -4.587 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.563 -2.313 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.390 -4.006 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.468 -2.438 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.327 -2.851 -7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.886 -1.628 -6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.453 -3.080 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.822 -4.336 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.998 -2.617 -4.364 1.00 0.00 H new ATOM 1775 N GLN A 113 8.415 -5.177 -8.116 1.00 0.00 N ATOM 1776 CA GLN A 113 8.305 -5.429 -9.548 1.00 0.00 C ATOM 1777 C GLN A 113 6.954 -4.963 -10.081 1.00 0.00 C ATOM 1778 O GLN A 113 6.880 -4.297 -11.114 1.00 0.00 O ATOM 1779 CB GLN A 113 8.496 -6.918 -9.842 1.00 0.00 C ATOM 1780 CG GLN A 113 9.860 -7.449 -9.431 1.00 0.00 C ATOM 1781 CD GLN A 113 10.314 -8.614 -10.289 1.00 0.00 C ATOM 1782 OE1 GLN A 113 10.040 -8.662 -11.488 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.014 -9.562 -9.676 1.00 0.00 N ATOM 0 H GLN A 113 8.689 -5.990 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 113 9.089 -4.863 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.723 -7.485 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.355 -7.090 -10.909 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.594 -6.646 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.825 -7.763 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.218 -9.482 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.347 -10.370 -10.201 1.00 0.00 H new ATOM 1792 N ALA A 114 5.889 -5.317 -9.370 1.00 0.00 N ATOM 1793 CA ALA A 114 4.541 -4.933 -9.771 1.00 0.00 C ATOM 1794 C ALA A 114 4.245 -3.487 -9.388 1.00 0.00 C ATOM 1795 O ALA A 114 3.864 -2.677 -10.232 1.00 0.00 O ATOM 1796 CB ALA A 114 3.518 -5.868 -9.143 1.00 0.00 C ATOM 0 H ALA A 114 5.933 -5.869 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 114 4.474 -5.014 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.516 -5.570 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.709 -6.890 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.595 -5.815 -8.057 1.00 0.00 H new ATOM 1802 N MET A 115 4.422 -3.170 -8.109 1.00 0.00 N ATOM 1803 CA MET A 115 4.174 -1.821 -7.615 1.00 0.00 C ATOM 1804 C MET A 115 5.101 -0.816 -8.292 1.00 0.00 C ATOM 1805 O MET A 115 4.645 0.119 -8.949 1.00 0.00 O ATOM 1806 CB MET A 115 4.364 -1.767 -6.098 1.00 0.00 C ATOM 1807 CG MET A 115 3.121 -2.158 -5.316 1.00 0.00 C ATOM 1808 SD MET A 115 3.084 -1.437 -3.664 1.00 0.00 S ATOM 1809 CE MET A 115 2.875 -2.904 -2.658 1.00 0.00 C ATOM 0 H MET A 115 4.736 -3.829 -7.397 1.00 0.00 H new ATOM 0 HA MET A 115 3.144 -1.557 -7.854 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.183 -2.430 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.660 -0.758 -5.813 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.235 -1.841 -5.867 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.074 -3.244 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.834 -2.621 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.948 -3.406 -2.935 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.715 -3.579 -2.820 1.00 0.00 H new ATOM 1819 N GLY A 116 6.405 -1.014 -8.125 1.00 0.00 N ATOM 1820 CA GLY A 116 7.375 -0.117 -8.725 1.00 0.00 C ATOM 1821 C GLY A 116 7.029 0.236 -10.158 1.00 0.00 C ATOM 1822 O GLY A 116 6.981 1.412 -10.519 1.00 0.00 O ATOM 0 H GLY A 116 6.807 -1.780 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.435 0.796 -8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.361 -0.581 -8.696 1.00 0.00 H new ATOM 1826 N GLU A 117 6.790 -0.783 -10.976 1.00 0.00 N ATOM 1827 CA GLU A 117 6.449 -0.573 -12.378 1.00 0.00 C ATOM 1828 C GLU A 117 5.112 0.150 -12.511 1.00 0.00 C ATOM 1829 O GLU A 117 5.016 1.182 -13.175 1.00 0.00 O ATOM 1830 CB GLU A 117 6.393 -1.911 -13.118 1.00 0.00 C ATOM 1831 CG GLU A 117 7.761 -2.459 -13.490 1.00 0.00 C ATOM 1832 CD GLU A 117 8.669 -1.403 -14.088 1.00 0.00 C ATOM 1833 OE1 GLU A 117 9.384 -0.728 -13.318 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.666 -1.252 -15.328 1.00 0.00 O ATOM 0 H GLU A 117 6.826 -1.762 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 117 7.225 0.049 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.876 -2.640 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.800 -1.790 -14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.234 -2.879 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.640 -3.275 -14.203 1.00 0.00 H new ATOM 1841 N ALA A 118 4.083 -0.399 -11.874 1.00 0.00 N ATOM 1842 CA ALA A 118 2.752 0.194 -11.919 1.00 0.00 C ATOM 1843 C ALA A 118 2.797 1.672 -11.546 1.00 0.00 C ATOM 1844 O ALA A 118 1.984 2.466 -12.019 1.00 0.00 O ATOM 1845 CB ALA A 118 1.808 -0.558 -10.993 1.00 0.00 C ATOM 0 H ALA A 118 4.146 -1.254 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 118 2.380 0.115 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.818 -0.105 -11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.744 -1.600 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.185 -0.509 -9.971 1.00 0.00 H new ATOM 1851 N ALA A 119 3.751 2.034 -10.695 1.00 0.00 N ATOM 1852 CA ALA A 119 3.901 3.417 -10.260 1.00 0.00 C ATOM 1853 C ALA A 119 4.422 4.295 -11.392 1.00 0.00 C ATOM 1854 O ALA A 119 3.863 5.355 -11.676 1.00 0.00 O ATOM 1855 CB ALA A 119 4.833 3.494 -9.059 1.00 0.00 C ATOM 0 H ALA A 119 4.431 1.389 -10.293 1.00 0.00 H new ATOM 0 HA ALA A 119 2.919 3.789 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.936 4.533 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.420 2.906 -8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.811 3.099 -9.332 1.00 0.00 H new ATOM 1861 N ARG A 120 5.495 3.848 -12.036 1.00 0.00 N ATOM 1862 CA ARG A 120 6.092 4.595 -13.137 1.00 0.00 C ATOM 1863 C ARG A 120 5.014 5.206 -14.027 1.00 0.00 C ATOM 1864 O ARG A 120 3.928 4.646 -14.178 1.00 0.00 O ATOM 1865 CB ARG A 120 6.999 3.684 -13.967 1.00 0.00 C ATOM 1866 CG ARG A 120 8.389 3.509 -13.378 1.00 0.00 C ATOM 1867 CD ARG A 120 9.053 2.239 -13.887 1.00 0.00 C ATOM 1868 NE ARG A 120 10.488 2.225 -13.615 1.00 0.00 N ATOM 1869 CZ ARG A 120 11.006 2.004 -12.411 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.210 1.780 -11.375 1.00 0.00 N ATOM 1871 NH2 ARG A 120 12.322 2.007 -12.243 1.00 0.00 N ATOM 0 H ARG A 120 5.969 2.972 -11.815 1.00 0.00 H new ATOM 0 HA ARG A 120 6.689 5.402 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.528 2.706 -14.062 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.089 4.094 -14.973 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.005 4.371 -13.634 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.323 3.476 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.587 1.373 -13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.887 2.148 -14.960 1.00 0.00 H new ATOM 0 HE ARG A 120 11.128 2.394 -14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.198 1.777 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.610 1.611 -10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.937 2.179 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.719 1.837 -11.319 1.00 0.00 H new