USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 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 180:sc= 0 USER MOD Set 1.2: A 101 SER OG : rot 79:sc= -0.0687 USER MOD Set 2.1: A 70 SER OG : rot -52:sc= -0.473! USER MOD Set 2.2: A 92 HIS :FLIP no HE2:sc= -9.86! C(o=-13!,f=-10!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -109:sc= 0.863 (180deg=0) USER MOD Set 3.2: A 17 ASN : amide:sc= -1.84! C(o=-0.98!,f=-8.1!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.102 (180deg=-0.244) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.00682 X(o=-0.0068,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= 0.214 (180deg=0) USER MOD Single : A 50 CYS SG : rot -121:sc= 0.815 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.153 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc=-0.00222 USER MOD Single : A 108 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.9!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 115 MET CE :methyl 180:sc= -0.0502 (180deg=-0.0502) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.549 4.394 -6.900 1.00 0.00 N ATOM 177 CA LYS A 15 -12.502 3.320 -6.647 1.00 0.00 C ATOM 178 C LYS A 15 -12.000 1.999 -7.222 1.00 0.00 C ATOM 179 O LYS A 15 -11.181 1.983 -8.141 1.00 0.00 O ATOM 180 CB LYS A 15 -13.865 3.666 -7.252 1.00 0.00 C ATOM 181 CG LYS A 15 -13.880 3.640 -8.770 1.00 0.00 C ATOM 182 CD LYS A 15 -15.268 3.333 -9.308 1.00 0.00 C ATOM 183 CE LYS A 15 -15.526 1.835 -9.363 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.889 1.526 -9.876 1.00 0.00 N ATOM 0 HA LYS A 15 -12.607 3.210 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.609 2.963 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.164 4.657 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.544 4.603 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.175 2.890 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.018 3.809 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.375 3.759 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.781 1.361 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.408 1.409 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.479 1.167 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.317 2.390 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.824 0.805 -10.622 1.00 0.00 H new ATOM 198 N ARG A 16 -12.496 0.894 -6.675 1.00 0.00 N ATOM 199 CA ARG A 16 -12.098 -0.431 -7.134 1.00 0.00 C ATOM 200 C ARG A 16 -13.188 -1.058 -7.998 1.00 0.00 C ATOM 201 O ARG A 16 -14.369 -1.010 -7.656 1.00 0.00 O ATOM 202 CB ARG A 16 -11.793 -1.338 -5.940 1.00 0.00 C ATOM 203 CG ARG A 16 -11.588 -2.795 -6.319 1.00 0.00 C ATOM 204 CD ARG A 16 -10.128 -3.089 -6.629 1.00 0.00 C ATOM 205 NE ARG A 16 -9.788 -4.489 -6.385 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.238 -5.494 -7.127 1.00 0.00 C ATOM 207 NH1 ARG A 16 -11.042 -5.257 -8.155 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.884 -6.741 -6.842 1.00 0.00 N ATOM 0 H ARG A 16 -13.174 0.890 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.197 -0.323 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.898 -0.973 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.612 -1.269 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.924 -3.435 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.201 -3.036 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.922 -2.842 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.492 -2.449 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.171 -4.706 -5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.317 -4.300 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.386 -6.032 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.266 -6.928 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.230 -7.512 -7.412 1.00 0.00 H new ATOM 222 N ASN A 17 -12.783 -1.645 -9.119 1.00 0.00 N ATOM 223 CA ASN A 17 -13.726 -2.281 -10.033 1.00 0.00 C ATOM 224 C ASN A 17 -13.501 -3.789 -10.084 1.00 0.00 C ATOM 225 O ASN A 17 -12.369 -4.273 -10.099 1.00 0.00 O ATOM 226 CB ASN A 17 -13.589 -1.686 -11.436 1.00 0.00 C ATOM 227 CG ASN A 17 -14.360 -0.389 -11.591 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.577 -0.353 -11.413 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.652 0.683 -11.926 1.00 0.00 N ATOM 0 H ASN A 17 -11.809 -1.694 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.734 -2.094 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.535 -1.507 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.946 -2.408 -12.170 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.116 1.583 -12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.644 0.606 -12.063 1.00 0.00 H new ATOM 236 N PRO A 18 -14.604 -4.551 -10.112 1.00 0.00 N ATOM 237 CA PRO A 18 -14.554 -6.015 -10.163 1.00 0.00 C ATOM 238 C PRO A 18 -14.045 -6.531 -11.505 1.00 0.00 C ATOM 239 O PRO A 18 -13.534 -7.647 -11.598 1.00 0.00 O ATOM 240 CB PRO A 18 -16.013 -6.428 -9.951 1.00 0.00 C ATOM 241 CG PRO A 18 -16.809 -5.259 -10.418 1.00 0.00 C ATOM 242 CD PRO A 18 -15.986 -4.042 -10.097 1.00 0.00 C ATOM 0 HA PRO A 18 -13.868 -6.425 -9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.257 -7.326 -10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.213 -6.650 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.008 -5.325 -11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.776 -5.220 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.131 -3.253 -10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.250 -3.623 -9.126 1.00 0.00 H new ATOM 250 N ASN A 19 -14.187 -5.712 -12.541 1.00 0.00 N ATOM 251 CA ASN A 19 -13.741 -6.086 -13.878 1.00 0.00 C ATOM 252 C ASN A 19 -12.218 -6.142 -13.948 1.00 0.00 C ATOM 253 O ASN A 19 -11.647 -7.055 -14.544 1.00 0.00 O ATOM 254 CB ASN A 19 -14.273 -5.093 -14.913 1.00 0.00 C ATOM 255 CG ASN A 19 -15.721 -5.359 -15.278 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.085 -6.475 -15.648 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.555 -4.331 -15.175 1.00 0.00 N ATOM 0 H ASN A 19 -14.607 -4.785 -12.481 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.134 -7.078 -14.100 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.180 -4.080 -14.522 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.659 -5.145 -15.812 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.541 -4.449 -15.407 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.209 -3.423 -14.864 1.00 0.00 H new ATOM 264 N ALA A 20 -11.566 -5.160 -13.333 1.00 0.00 N ATOM 265 CA ALA A 20 -10.110 -5.099 -13.323 1.00 0.00 C ATOM 266 C ALA A 20 -9.515 -6.305 -12.603 1.00 0.00 C ATOM 267 O ALA A 20 -9.820 -6.578 -11.443 1.00 0.00 O ATOM 268 CB ALA A 20 -9.641 -3.808 -12.670 1.00 0.00 C ATOM 0 H ALA A 20 -12.024 -4.396 -12.835 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.763 -5.118 -14.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.551 -3.776 -12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.029 -2.956 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.006 -3.766 -11.644 1.00 0.00 H new ATOM 274 N PRO A 21 -8.645 -7.045 -13.307 1.00 0.00 N ATOM 275 CA PRO A 21 -7.989 -8.234 -12.754 1.00 0.00 C ATOM 276 C PRO A 21 -6.970 -7.885 -11.675 1.00 0.00 C ATOM 277 O PRO A 21 -6.160 -6.973 -11.844 1.00 0.00 O ATOM 278 CB PRO A 21 -7.292 -8.851 -13.969 1.00 0.00 C ATOM 279 CG PRO A 21 -7.072 -7.709 -14.900 1.00 0.00 C ATOM 280 CD PRO A 21 -8.234 -6.778 -14.695 1.00 0.00 C ATOM 0 HA PRO A 21 -8.699 -8.903 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.349 -9.320 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.908 -9.624 -14.429 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.128 -7.208 -14.686 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.024 -8.052 -15.934 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.944 -5.737 -14.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.041 -6.981 -15.399 1.00 0.00 H new ATOM 288 N VAL A 22 -7.015 -8.616 -10.566 1.00 0.00 N ATOM 289 CA VAL A 22 -6.095 -8.385 -9.460 1.00 0.00 C ATOM 290 C VAL A 22 -4.649 -8.601 -9.893 1.00 0.00 C ATOM 291 O VAL A 22 -4.245 -9.719 -10.216 1.00 0.00 O ATOM 292 CB VAL A 22 -6.405 -9.311 -8.268 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.429 -10.765 -8.714 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.390 -9.103 -7.154 1.00 0.00 C ATOM 0 H VAL A 22 -7.680 -9.374 -10.410 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.228 -7.349 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.392 -9.058 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.649 -11.404 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.197 -10.899 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.457 -11.035 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.624 -9.765 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.390 -9.328 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.427 -8.067 -6.817 1.00 0.00 H new ATOM 304 N THR A 23 -3.871 -7.522 -9.899 1.00 0.00 N ATOM 305 CA THR A 23 -2.470 -7.592 -10.294 1.00 0.00 C ATOM 306 C THR A 23 -1.672 -8.466 -9.333 1.00 0.00 C ATOM 307 O THR A 23 -1.016 -9.423 -9.747 1.00 0.00 O ATOM 308 CB THR A 23 -1.831 -6.192 -10.348 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.648 -5.310 -11.127 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.434 -6.258 -10.946 1.00 0.00 C ATOM 0 H THR A 23 -4.188 -6.589 -9.635 1.00 0.00 H new ATOM 0 HA THR A 23 -2.444 -8.033 -11.290 1.00 0.00 H new ATOM 0 HB THR A 23 -1.756 -5.812 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.236 -4.421 -11.155 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.003 -5.257 -10.974 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.193 -6.907 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.490 -6.657 -11.959 1.00 0.00 H new ATOM 318 N LYS A 24 -1.731 -8.132 -8.049 1.00 0.00 N ATOM 319 CA LYS A 24 -1.015 -8.888 -7.028 1.00 0.00 C ATOM 320 C LYS A 24 -1.624 -8.651 -5.649 1.00 0.00 C ATOM 321 O LYS A 24 -1.907 -7.515 -5.272 1.00 0.00 O ATOM 322 CB LYS A 24 0.464 -8.496 -7.018 1.00 0.00 C ATOM 323 CG LYS A 24 1.352 -9.491 -6.291 1.00 0.00 C ATOM 324 CD LYS A 24 2.728 -8.909 -6.010 1.00 0.00 C ATOM 325 CE LYS A 24 3.582 -9.867 -5.194 1.00 0.00 C ATOM 326 NZ LYS A 24 4.230 -10.899 -6.050 1.00 0.00 N ATOM 0 H LYS A 24 -2.268 -7.342 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.102 -9.948 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.811 -8.395 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.569 -7.518 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.881 -9.783 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.454 -10.395 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.229 -8.685 -6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.623 -7.966 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.348 -9.305 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.962 -10.356 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.919 -11.436 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.506 -11.547 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.718 -10.436 -6.843 1.00 0.00 H new ATOM 340 N ALA A 25 -1.821 -9.732 -4.901 1.00 0.00 N ATOM 341 CA ALA A 25 -2.392 -9.642 -3.563 1.00 0.00 C ATOM 342 C ALA A 25 -1.617 -10.506 -2.575 1.00 0.00 C ATOM 343 O ALA A 25 -1.342 -11.675 -2.841 1.00 0.00 O ATOM 344 CB ALA A 25 -3.858 -10.049 -3.587 1.00 0.00 C ATOM 0 H ALA A 25 -1.593 -10.680 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.319 -8.606 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.272 -9.977 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.409 -9.386 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.945 -11.076 -3.943 1.00 0.00 H new ATOM 350 N GLY A 26 -1.265 -9.921 -1.434 1.00 0.00 N ATOM 351 CA GLY A 26 -0.523 -10.653 -0.424 1.00 0.00 C ATOM 352 C GLY A 26 -0.560 -9.972 0.930 1.00 0.00 C ATOM 353 O GLY A 26 -0.737 -8.757 1.016 1.00 0.00 O ATOM 0 H GLY A 26 -1.480 -8.954 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.934 -11.658 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.513 -10.760 -0.745 1.00 0.00 H new ATOM 357 N TRP A 27 -0.396 -10.756 1.989 1.00 0.00 N ATOM 358 CA TRP A 27 -0.413 -10.221 3.346 1.00 0.00 C ATOM 359 C TRP A 27 0.856 -9.427 3.635 1.00 0.00 C ATOM 360 O TRP A 27 1.938 -9.998 3.779 1.00 0.00 O ATOM 361 CB TRP A 27 -0.563 -11.355 4.362 1.00 0.00 C ATOM 362 CG TRP A 27 -1.969 -11.856 4.489 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.487 -12.993 3.939 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.038 -11.236 5.213 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.813 -13.117 4.276 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.175 -12.052 5.058 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.144 -10.071 5.978 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.401 -11.739 5.639 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.362 -9.761 6.554 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.476 -10.593 6.383 1.00 0.00 C ATOM 0 H TRP A 27 -0.250 -11.764 1.935 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.267 -9.549 3.434 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.085 -12.182 4.071 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.219 -11.008 5.336 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.935 -13.692 3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.428 -13.879 3.990 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.290 -9.425 6.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.262 -12.378 5.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.456 -8.862 7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.413 -10.324 6.848 1.00 0.00 H new ATOM 381 N LEU A 28 0.718 -8.108 3.718 1.00 0.00 N ATOM 382 CA LEU A 28 1.855 -7.236 3.991 1.00 0.00 C ATOM 383 C LEU A 28 1.633 -6.437 5.271 1.00 0.00 C ATOM 384 O LEU A 28 0.586 -6.543 5.908 1.00 0.00 O ATOM 385 CB LEU A 28 2.085 -6.284 2.815 1.00 0.00 C ATOM 386 CG LEU A 28 2.802 -6.877 1.602 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.705 -5.935 0.412 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.257 -7.172 1.934 1.00 0.00 C ATOM 0 H LEU A 28 -0.170 -7.619 3.600 1.00 0.00 H new ATOM 0 HA LEU A 28 2.738 -7.861 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.118 -5.901 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.662 -5.431 3.172 1.00 0.00 H new ATOM 0 HG LEU A 28 2.314 -7.815 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.221 -6.374 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.657 -5.774 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.168 -4.981 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.752 -7.594 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.758 -6.249 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.305 -7.885 2.757 1.00 0.00 H new ATOM 400 N PHE A 29 2.627 -5.635 5.641 1.00 0.00 N ATOM 401 CA PHE A 29 2.540 -4.816 6.845 1.00 0.00 C ATOM 402 C PHE A 29 2.585 -3.331 6.497 1.00 0.00 C ATOM 403 O PHE A 29 3.521 -2.860 5.851 1.00 0.00 O ATOM 404 CB PHE A 29 3.681 -5.161 7.804 1.00 0.00 C ATOM 405 CG PHE A 29 3.639 -6.578 8.301 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.018 -7.626 7.479 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.218 -6.861 9.591 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.981 -8.931 7.934 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.179 -8.164 10.051 1.00 0.00 C ATOM 410 CZ PHE A 29 3.560 -9.200 9.221 1.00 0.00 C ATOM 0 H PHE A 29 3.501 -5.535 5.125 1.00 0.00 H new ATOM 0 HA PHE A 29 1.588 -5.028 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.632 -4.989 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.645 -4.484 8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.346 -7.422 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.917 -6.055 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.281 -9.739 7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.851 -8.372 11.059 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.529 -10.219 9.578 1.00 0.00 H new ATOM 420 N LYS A 30 1.564 -2.598 6.929 1.00 0.00 N ATOM 421 CA LYS A 30 1.485 -1.166 6.665 1.00 0.00 C ATOM 422 C LYS A 30 1.938 -0.363 7.880 1.00 0.00 C ATOM 423 O LYS A 30 1.176 -0.174 8.828 1.00 0.00 O ATOM 424 CB LYS A 30 0.054 -0.775 6.286 1.00 0.00 C ATOM 425 CG LYS A 30 -0.062 0.629 5.718 1.00 0.00 C ATOM 426 CD LYS A 30 -1.390 0.834 5.009 1.00 0.00 C ATOM 427 CE LYS A 30 -1.634 2.303 4.698 1.00 0.00 C ATOM 428 NZ LYS A 30 -2.341 2.996 5.811 1.00 0.00 N ATOM 0 H LYS A 30 0.780 -2.972 7.463 1.00 0.00 H new ATOM 0 HA LYS A 30 2.150 -0.938 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.326 -1.487 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.581 -0.855 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.039 1.358 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.756 0.809 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.403 0.258 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.199 0.454 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.681 2.797 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.223 2.388 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.488 3.995 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.262 2.541 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.767 2.937 6.676 1.00 0.00 H new ATOM 442 N GLN A 31 3.180 0.107 7.844 1.00 0.00 N ATOM 443 CA GLN A 31 3.733 0.891 8.942 1.00 0.00 C ATOM 444 C GLN A 31 2.750 1.967 9.392 1.00 0.00 C ATOM 445 O GLN A 31 1.973 2.485 8.591 1.00 0.00 O ATOM 446 CB GLN A 31 5.055 1.534 8.523 1.00 0.00 C ATOM 447 CG GLN A 31 5.970 1.863 9.692 1.00 0.00 C ATOM 448 CD GLN A 31 6.935 2.990 9.379 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.569 4.165 9.419 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.176 2.636 9.066 1.00 0.00 N ATOM 0 H GLN A 31 3.823 -0.041 7.066 1.00 0.00 H new ATOM 0 HA GLN A 31 3.915 0.218 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.577 0.861 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.845 2.449 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.365 2.137 10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.535 0.973 9.968 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.435 1.650 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.870 3.350 8.846 1.00 0.00 H new ATOM 459 N ALA A 32 2.789 2.297 10.678 1.00 0.00 N ATOM 460 CA ALA A 32 1.903 3.312 11.234 1.00 0.00 C ATOM 461 C ALA A 32 2.623 4.649 11.380 1.00 0.00 C ATOM 462 O ALA A 32 3.796 4.696 11.752 1.00 0.00 O ATOM 463 CB ALA A 32 1.356 2.857 12.578 1.00 0.00 C ATOM 0 H ALA A 32 3.425 1.876 11.355 1.00 0.00 H new ATOM 0 HA ALA A 32 1.071 3.450 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.696 3.625 12.981 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.797 1.930 12.449 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.182 2.689 13.269 1.00 0.00 H new ATOM 536 N GLN A 38 3.212 1.131 15.223 1.00 0.00 N ATOM 537 CA GLN A 38 3.226 -0.326 15.167 1.00 0.00 C ATOM 538 C GLN A 38 2.725 -0.823 13.815 1.00 0.00 C ATOM 539 O GLN A 38 1.664 -0.413 13.346 1.00 0.00 O ATOM 540 CB GLN A 38 2.366 -0.909 16.289 1.00 0.00 C ATOM 541 CG GLN A 38 0.871 -0.781 16.039 1.00 0.00 C ATOM 542 CD GLN A 38 0.045 -1.087 17.273 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.094 -0.357 18.264 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.720 -2.171 17.219 1.00 0.00 N ATOM 0 HA GLN A 38 4.255 -0.660 15.298 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.616 -1.962 16.417 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.614 -0.407 17.224 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.649 0.230 15.699 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.581 -1.458 15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.730 -2.747 16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.298 -2.428 18.019 1.00 0.00 H new ATOM 553 N TRP A 39 3.496 -1.709 13.194 1.00 0.00 N ATOM 554 CA TRP A 39 3.130 -2.262 11.895 1.00 0.00 C ATOM 555 C TRP A 39 1.819 -3.035 11.983 1.00 0.00 C ATOM 556 O TRP A 39 1.695 -3.979 12.762 1.00 0.00 O ATOM 557 CB TRP A 39 4.241 -3.176 11.375 1.00 0.00 C ATOM 558 CG TRP A 39 5.557 -2.477 11.213 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.464 -2.199 12.195 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.111 -1.966 9.996 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.549 -1.546 11.662 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.358 -1.392 10.315 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.677 -1.939 8.668 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.171 -0.798 9.353 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.486 -1.348 7.715 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.721 -0.785 8.061 1.00 0.00 C ATOM 0 H TRP A 39 4.378 -2.059 13.569 1.00 0.00 H new ATOM 0 HA TRP A 39 2.996 -1.433 11.200 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.364 -4.013 12.062 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.939 -3.594 10.415 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.346 -2.455 13.238 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.365 -1.228 12.185 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.727 -2.372 8.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.123 -0.363 9.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.160 -1.320 6.686 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.330 -0.332 7.293 1.00 0.00 H new ATOM 577 N ASN A 40 0.842 -2.630 11.177 1.00 0.00 N ATOM 578 CA ASN A 40 -0.461 -3.285 11.165 1.00 0.00 C ATOM 579 C ASN A 40 -0.616 -4.164 9.927 1.00 0.00 C ATOM 580 O ASN A 40 -0.925 -3.675 8.840 1.00 0.00 O ATOM 581 CB ASN A 40 -1.580 -2.243 11.208 1.00 0.00 C ATOM 582 CG ASN A 40 -1.602 -1.471 12.513 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.045 -1.982 13.542 1.00 0.00 O ATOM 584 ND2 ASN A 40 -1.121 -0.234 12.477 1.00 0.00 N ATOM 0 H ASN A 40 0.928 -1.851 10.524 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.530 -3.918 12.050 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.456 -1.546 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.540 -2.739 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.109 0.333 13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.764 0.149 11.602 1.00 0.00 H new ATOM 591 N LYS A 41 -0.399 -5.463 10.100 1.00 0.00 N ATOM 592 CA LYS A 41 -0.516 -6.412 8.999 1.00 0.00 C ATOM 593 C LYS A 41 -1.923 -6.392 8.411 1.00 0.00 C ATOM 594 O LYS A 41 -2.901 -6.659 9.109 1.00 0.00 O ATOM 595 CB LYS A 41 -0.171 -7.824 9.476 1.00 0.00 C ATOM 596 CG LYS A 41 -0.324 -8.885 8.400 1.00 0.00 C ATOM 597 CD LYS A 41 -0.051 -10.276 8.945 1.00 0.00 C ATOM 598 CE LYS A 41 -0.857 -11.333 8.205 1.00 0.00 C ATOM 599 NZ LYS A 41 -2.184 -11.565 8.840 1.00 0.00 N ATOM 0 H LYS A 41 -0.141 -5.883 10.993 1.00 0.00 H new ATOM 0 HA LYS A 41 0.188 -6.116 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.856 -7.834 9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.812 -8.080 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.333 -8.846 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.362 -8.674 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.012 -10.500 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.297 -10.307 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.999 -11.022 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.297 -12.268 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.348 -12.587 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.202 -11.120 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.930 -11.150 8.246 1.00 0.00 H new ATOM 613 N ARG A 42 -2.018 -6.077 7.123 1.00 0.00 N ATOM 614 CA ARG A 42 -3.306 -6.023 6.442 1.00 0.00 C ATOM 615 C ARG A 42 -3.209 -6.632 5.047 1.00 0.00 C ATOM 616 O ARG A 42 -2.122 -6.731 4.477 1.00 0.00 O ATOM 617 CB ARG A 42 -3.796 -4.577 6.347 1.00 0.00 C ATOM 618 CG ARG A 42 -4.164 -3.968 7.690 1.00 0.00 C ATOM 619 CD ARG A 42 -5.475 -4.530 8.216 1.00 0.00 C ATOM 620 NE ARG A 42 -5.590 -4.386 9.665 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.936 -3.253 10.266 1.00 0.00 C ATOM 622 NH1 ARG A 42 -6.199 -2.171 9.546 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.019 -3.201 11.589 1.00 0.00 N ATOM 0 H ARG A 42 -1.218 -5.855 6.530 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.022 -6.604 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.019 -3.969 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.665 -4.539 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.369 -4.163 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.245 -2.886 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.308 -4.019 7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.550 -5.584 7.949 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.394 -5.200 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.136 -2.208 8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.465 -1.302 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.817 -4.031 12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.285 -2.331 12.050 1.00 0.00 H new ATOM 637 N TRP A 43 -4.350 -7.038 4.503 1.00 0.00 N ATOM 638 CA TRP A 43 -4.394 -7.638 3.175 1.00 0.00 C ATOM 639 C TRP A 43 -4.200 -6.580 2.094 1.00 0.00 C ATOM 640 O TRP A 43 -5.006 -5.660 1.961 1.00 0.00 O ATOM 641 CB TRP A 43 -5.723 -8.363 2.963 1.00 0.00 C ATOM 642 CG TRP A 43 -5.781 -9.135 1.680 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.726 -9.026 0.700 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.857 -10.135 1.239 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.445 -9.898 -0.324 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.303 -10.590 -0.018 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.695 -10.690 1.782 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.627 -11.572 -0.737 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.026 -11.666 1.068 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.493 -12.098 -0.181 1.00 0.00 C ATOM 0 H TRP A 43 -5.258 -6.963 4.962 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.580 -8.359 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.894 -9.044 3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.533 -7.633 2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.570 -8.353 0.726 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.997 -10.012 -1.174 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.326 -10.362 2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.985 -11.907 -1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.128 -12.103 1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.947 -12.861 -0.715 1.00 0.00 H new ATOM 661 N PHE A 44 -3.126 -6.718 1.323 1.00 0.00 N ATOM 662 CA PHE A 44 -2.827 -5.773 0.253 1.00 0.00 C ATOM 663 C PHE A 44 -3.249 -6.334 -1.102 1.00 0.00 C ATOM 664 O PHE A 44 -3.044 -7.514 -1.389 1.00 0.00 O ATOM 665 CB PHE A 44 -1.333 -5.444 0.238 1.00 0.00 C ATOM 666 CG PHE A 44 -0.957 -4.323 1.165 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.397 -4.316 2.479 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.164 -3.277 0.722 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.054 -3.285 3.333 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.184 -2.244 1.572 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.261 -2.248 2.880 1.00 0.00 C ATOM 0 H PHE A 44 -2.449 -7.475 1.419 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.392 -4.860 0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.770 -6.336 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.037 -5.180 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.015 -5.125 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.186 -3.269 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.406 -3.290 4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.803 -1.435 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.010 -1.443 3.547 1.00 0.00 H new ATOM 681 N VAL A 45 -3.840 -5.480 -1.931 1.00 0.00 N ATOM 682 CA VAL A 45 -4.291 -5.889 -3.256 1.00 0.00 C ATOM 683 C VAL A 45 -4.010 -4.805 -4.291 1.00 0.00 C ATOM 684 O VAL A 45 -4.360 -3.640 -4.097 1.00 0.00 O ATOM 685 CB VAL A 45 -5.797 -6.211 -3.262 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.251 -6.618 -4.656 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.112 -7.302 -2.250 1.00 0.00 C ATOM 0 H VAL A 45 -4.018 -4.501 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.734 -6.789 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.344 -5.313 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.318 -6.842 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.062 -5.802 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.699 -7.503 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.180 -7.517 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.556 -8.205 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.826 -6.967 -1.253 1.00 0.00 H new ATOM 697 N LEU A 46 -3.376 -5.196 -5.391 1.00 0.00 N ATOM 698 CA LEU A 46 -3.047 -4.258 -6.459 1.00 0.00 C ATOM 699 C LEU A 46 -4.003 -4.417 -7.637 1.00 0.00 C ATOM 700 O LEU A 46 -4.012 -5.449 -8.308 1.00 0.00 O ATOM 701 CB LEU A 46 -1.606 -4.469 -6.925 1.00 0.00 C ATOM 702 CG LEU A 46 -1.094 -3.494 -7.986 1.00 0.00 C ATOM 703 CD1 LEU A 46 -1.114 -2.069 -7.455 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.310 -3.879 -8.431 1.00 0.00 C ATOM 0 H LEU A 46 -3.079 -6.156 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.150 -3.247 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.951 -4.406 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.517 -5.482 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.756 -3.548 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.746 -1.389 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.134 -1.795 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.476 -2.000 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.658 -3.174 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.983 -3.854 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.295 -4.884 -8.852 1.00 0.00 H new ATOM 716 N VAL A 47 -4.807 -3.387 -7.884 1.00 0.00 N ATOM 717 CA VAL A 47 -5.765 -3.411 -8.983 1.00 0.00 C ATOM 718 C VAL A 47 -5.880 -2.041 -9.641 1.00 0.00 C ATOM 719 O VAL A 47 -5.977 -1.020 -8.960 1.00 0.00 O ATOM 720 CB VAL A 47 -7.159 -3.856 -8.503 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.224 -3.455 -9.511 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.183 -5.357 -8.258 1.00 0.00 C ATOM 0 H VAL A 47 -4.814 -2.526 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.393 -4.131 -9.712 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.378 -3.353 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.202 -3.778 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.221 -2.372 -9.632 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.013 -3.928 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.175 -5.655 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.943 -5.881 -9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.447 -5.613 -7.495 1.00 0.00 H new ATOM 732 N ASP A 48 -5.868 -2.026 -10.970 1.00 0.00 N ATOM 733 CA ASP A 48 -5.973 -0.781 -11.722 1.00 0.00 C ATOM 734 C ASP A 48 -4.834 0.168 -11.362 1.00 0.00 C ATOM 735 O ASP A 48 -5.064 1.327 -11.017 1.00 0.00 O ATOM 736 CB ASP A 48 -7.319 -0.108 -11.450 1.00 0.00 C ATOM 737 CG ASP A 48 -7.738 0.821 -12.572 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.955 0.330 -13.699 1.00 0.00 O ATOM 739 OD2 ASP A 48 -7.848 2.040 -12.323 1.00 0.00 O ATOM 0 H ASP A 48 -5.787 -2.862 -11.548 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.903 -1.019 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.083 -0.873 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.259 0.455 -10.519 1.00 0.00 H new ATOM 744 N ARG A 49 -3.605 -0.332 -11.445 1.00 0.00 N ATOM 745 CA ARG A 49 -2.431 0.471 -11.126 1.00 0.00 C ATOM 746 C ARG A 49 -2.623 1.217 -9.809 1.00 0.00 C ATOM 747 O ARG A 49 -2.053 2.289 -9.602 1.00 0.00 O ATOM 748 CB ARG A 49 -2.147 1.467 -12.252 1.00 0.00 C ATOM 749 CG ARG A 49 -1.233 0.917 -13.335 1.00 0.00 C ATOM 750 CD ARG A 49 -0.489 2.031 -14.055 1.00 0.00 C ATOM 751 NE ARG A 49 -0.011 1.610 -15.369 1.00 0.00 N ATOM 752 CZ ARG A 49 0.933 2.253 -16.048 1.00 0.00 C ATOM 753 NH1 ARG A 49 1.497 3.340 -15.539 1.00 0.00 N ATOM 754 NH2 ARG A 49 1.315 1.808 -17.238 1.00 0.00 N ATOM 0 H ARG A 49 -3.397 -1.289 -11.730 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.580 -0.202 -11.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.091 1.770 -12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.695 2.363 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.516 0.227 -12.891 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.821 0.347 -14.054 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.147 2.893 -14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.357 2.353 -13.448 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.424 0.777 -15.788 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.206 3.685 -14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.221 3.831 -16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.884 0.972 -17.632 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.040 2.302 -17.759 1.00 0.00 H new ATOM 768 N CYS A 50 -3.429 0.643 -8.923 1.00 0.00 N ATOM 769 CA CYS A 50 -3.698 1.254 -7.626 1.00 0.00 C ATOM 770 C CYS A 50 -3.570 0.228 -6.504 1.00 0.00 C ATOM 771 O CYS A 50 -3.796 -0.965 -6.711 1.00 0.00 O ATOM 772 CB CYS A 50 -5.096 1.873 -7.610 1.00 0.00 C ATOM 773 SG CYS A 50 -5.408 2.958 -6.198 1.00 0.00 S ATOM 0 H CYS A 50 -3.908 -0.244 -9.079 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.959 2.039 -7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.241 2.441 -8.529 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.836 1.073 -7.610 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.422 2.508 -5.520 1.00 0.00 H new ATOM 779 N LEU A 51 -3.206 0.700 -5.317 1.00 0.00 N ATOM 780 CA LEU A 51 -3.046 -0.176 -4.162 1.00 0.00 C ATOM 781 C LEU A 51 -4.256 -0.086 -3.238 1.00 0.00 C ATOM 782 O LEU A 51 -4.681 1.006 -2.859 1.00 0.00 O ATOM 783 CB LEU A 51 -1.775 0.187 -3.393 1.00 0.00 C ATOM 784 CG LEU A 51 -1.147 -0.934 -2.564 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.302 -0.610 -2.237 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.945 -1.166 -1.289 1.00 0.00 C ATOM 0 H LEU A 51 -3.016 1.684 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.964 -1.201 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.032 0.543 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.003 1.020 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.168 -1.850 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.732 -1.419 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.867 -0.496 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.348 0.318 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.484 -1.967 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.957 -0.252 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.967 -1.446 -1.545 1.00 0.00 H new ATOM 798 N PHE A 52 -4.806 -1.240 -2.877 1.00 0.00 N ATOM 799 CA PHE A 52 -5.967 -1.292 -1.996 1.00 0.00 C ATOM 800 C PHE A 52 -5.747 -2.291 -0.864 1.00 0.00 C ATOM 801 O PHE A 52 -5.550 -3.483 -1.103 1.00 0.00 O ATOM 802 CB PHE A 52 -7.220 -1.670 -2.789 1.00 0.00 C ATOM 803 CG PHE A 52 -7.465 -0.786 -3.979 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.724 0.565 -3.813 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.438 -1.307 -5.263 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.950 1.381 -4.906 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.663 -0.496 -6.359 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.921 0.850 -6.180 1.00 0.00 C ATOM 0 H PHE A 52 -4.466 -2.153 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.106 -0.302 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.129 -2.703 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.086 -1.625 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.750 0.985 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.239 -2.358 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.149 2.433 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.637 -0.914 -7.355 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.100 1.485 -7.035 1.00 0.00 H new ATOM 818 N TYR A 53 -5.782 -1.797 0.368 1.00 0.00 N ATOM 819 CA TYR A 53 -5.584 -2.645 1.538 1.00 0.00 C ATOM 820 C TYR A 53 -6.891 -2.834 2.302 1.00 0.00 C ATOM 821 O TYR A 53 -7.501 -1.868 2.760 1.00 0.00 O ATOM 822 CB TYR A 53 -4.524 -2.039 2.459 1.00 0.00 C ATOM 823 CG TYR A 53 -5.022 -0.856 3.258 1.00 0.00 C ATOM 824 CD1 TYR A 53 -4.949 0.434 2.745 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.566 -1.027 4.525 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.401 1.518 3.471 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.022 0.052 5.258 1.00 0.00 C ATOM 828 CZ TYR A 53 -5.937 1.322 4.727 1.00 0.00 C ATOM 829 OH TYR A 53 -6.391 2.399 5.453 1.00 0.00 O ATOM 0 H TYR A 53 -5.946 -0.813 0.583 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.242 -3.621 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.169 -2.807 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.669 -1.728 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.531 0.591 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.634 -2.020 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.335 2.514 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.443 -0.098 6.241 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.739 2.089 6.315 1.00 0.00 H new ATOM 839 N TYR A 54 -7.315 -4.086 2.435 1.00 0.00 N ATOM 840 CA TYR A 54 -8.550 -4.403 3.142 1.00 0.00 C ATOM 841 C TYR A 54 -8.255 -4.980 4.523 1.00 0.00 C ATOM 842 O TYR A 54 -7.181 -5.533 4.761 1.00 0.00 O ATOM 843 CB TYR A 54 -9.386 -5.395 2.330 1.00 0.00 C ATOM 844 CG TYR A 54 -9.736 -4.900 0.945 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.879 -5.116 -0.127 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.922 -4.217 0.709 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.194 -4.665 -1.395 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.246 -3.764 -0.556 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.379 -3.991 -1.604 1.00 0.00 C ATOM 850 OH TYR A 54 -10.697 -3.540 -2.865 1.00 0.00 O ATOM 0 H TYR A 54 -6.822 -4.897 2.063 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.114 -3.479 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.838 -6.334 2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.306 -5.612 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.951 -5.645 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.603 -4.037 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.516 -4.839 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.173 -3.235 -0.723 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.566 -3.087 -2.841 1.00 0.00 H new ATOM 860 N LYS A 55 -9.217 -4.848 5.430 1.00 0.00 N ATOM 861 CA LYS A 55 -9.064 -5.357 6.788 1.00 0.00 C ATOM 862 C LYS A 55 -8.597 -6.810 6.775 1.00 0.00 C ATOM 863 O LYS A 55 -7.768 -7.212 7.592 1.00 0.00 O ATOM 864 CB LYS A 55 -10.386 -5.242 7.549 1.00 0.00 C ATOM 865 CG LYS A 55 -11.548 -5.934 6.858 1.00 0.00 C ATOM 866 CD LYS A 55 -12.885 -5.417 7.364 1.00 0.00 C ATOM 867 CE LYS A 55 -14.017 -6.375 7.025 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.119 -7.484 8.014 1.00 0.00 N ATOM 0 H LYS A 55 -10.112 -4.393 5.249 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.308 -4.755 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.261 -5.668 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.629 -4.188 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.479 -5.776 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.485 -7.009 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.837 -5.276 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.089 -4.441 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.959 -5.828 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.857 -6.789 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.902 -8.115 7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.229 -8.022 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.298 -7.090 8.960 1.00 0.00 H new ATOM 882 N ASP A 56 -9.133 -7.590 5.843 1.00 0.00 N ATOM 883 CA ASP A 56 -8.769 -8.997 5.722 1.00 0.00 C ATOM 884 C ASP A 56 -9.000 -9.498 4.300 1.00 0.00 C ATOM 885 O ASP A 56 -9.409 -8.738 3.423 1.00 0.00 O ATOM 886 CB ASP A 56 -9.575 -9.841 6.711 1.00 0.00 C ATOM 887 CG ASP A 56 -9.392 -9.385 8.145 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.406 -9.813 8.782 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.233 -8.601 8.630 1.00 0.00 O ATOM 0 H ASP A 56 -9.821 -7.272 5.160 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.708 -9.094 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.632 -9.792 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.273 -10.885 6.623 1.00 0.00 H new ATOM 894 N GLU A 57 -8.733 -10.782 4.080 1.00 0.00 N ATOM 895 CA GLU A 57 -8.910 -11.383 2.763 1.00 0.00 C ATOM 896 C GLU A 57 -10.365 -11.287 2.312 1.00 0.00 C ATOM 897 O GLU A 57 -10.670 -11.416 1.127 1.00 0.00 O ATOM 898 CB GLU A 57 -8.467 -12.847 2.783 1.00 0.00 C ATOM 899 CG GLU A 57 -9.326 -13.732 3.671 1.00 0.00 C ATOM 900 CD GLU A 57 -10.589 -14.205 2.977 1.00 0.00 C ATOM 901 OE1 GLU A 57 -10.557 -14.380 1.741 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.609 -14.399 3.671 1.00 0.00 O ATOM 0 H GLU A 57 -8.394 -11.425 4.796 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.291 -10.833 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.488 -13.238 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.433 -12.900 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.744 -14.598 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.596 -13.183 4.573 1.00 0.00 H new ATOM 909 N LYS A 58 -11.260 -11.059 3.268 1.00 0.00 N ATOM 910 CA LYS A 58 -12.683 -10.945 2.971 1.00 0.00 C ATOM 911 C LYS A 58 -12.934 -9.879 1.909 1.00 0.00 C ATOM 912 O LYS A 58 -13.822 -10.024 1.070 1.00 0.00 O ATOM 913 CB LYS A 58 -13.464 -10.606 4.243 1.00 0.00 C ATOM 914 CG LYS A 58 -13.705 -11.803 5.146 1.00 0.00 C ATOM 915 CD LYS A 58 -14.921 -11.597 6.034 1.00 0.00 C ATOM 916 CE LYS A 58 -15.601 -12.917 6.364 1.00 0.00 C ATOM 917 NZ LYS A 58 -14.738 -13.789 7.208 1.00 0.00 N ATOM 0 H LYS A 58 -11.025 -10.950 4.254 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.026 -11.905 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.920 -9.844 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.424 -10.172 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.845 -12.696 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.825 -11.975 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.619 -11.101 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.630 -10.936 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.539 -12.722 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.851 -13.438 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.237 -14.679 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.853 -13.996 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.521 -13.302 8.101 1.00 0.00 H new ATOM 931 N GLU A 59 -12.145 -8.810 1.952 1.00 0.00 N ATOM 932 CA GLU A 59 -12.282 -7.721 0.992 1.00 0.00 C ATOM 933 C GLU A 59 -13.685 -7.123 1.045 1.00 0.00 C ATOM 934 O GLU A 59 -14.315 -6.901 0.012 1.00 0.00 O ATOM 935 CB GLU A 59 -11.981 -8.218 -0.423 1.00 0.00 C ATOM 936 CG GLU A 59 -10.504 -8.463 -0.681 1.00 0.00 C ATOM 937 CD GLU A 59 -10.232 -8.966 -2.085 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.264 -8.146 -3.027 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.988 -10.181 -2.243 1.00 0.00 O ATOM 0 H GLU A 59 -11.405 -8.675 2.641 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.564 -6.945 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.530 -9.143 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.350 -7.487 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.952 -7.537 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.129 -9.189 0.040 1.00 0.00 H new ATOM 946 N GLU A 60 -14.167 -6.865 2.257 1.00 0.00 N ATOM 947 CA GLU A 60 -15.495 -6.294 2.445 1.00 0.00 C ATOM 948 C GLU A 60 -15.567 -4.882 1.871 1.00 0.00 C ATOM 949 O GLU A 60 -16.321 -4.619 0.934 1.00 0.00 O ATOM 950 CB GLU A 60 -15.859 -6.271 3.931 1.00 0.00 C ATOM 951 CG GLU A 60 -16.199 -7.640 4.496 1.00 0.00 C ATOM 952 CD GLU A 60 -17.609 -8.080 4.151 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.551 -7.300 4.403 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.769 -9.203 3.629 1.00 0.00 O ATOM 0 H GLU A 60 -13.658 -7.042 3.123 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.210 -6.921 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.025 -5.852 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.710 -5.605 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.490 -8.373 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.083 -7.621 5.580 1.00 0.00 H new ATOM 961 N SER A 61 -14.776 -3.977 2.440 1.00 0.00 N ATOM 962 CA SER A 61 -14.752 -2.591 1.988 1.00 0.00 C ATOM 963 C SER A 61 -13.340 -2.020 2.062 1.00 0.00 C ATOM 964 O SER A 61 -12.556 -2.385 2.939 1.00 0.00 O ATOM 965 CB SER A 61 -15.703 -1.741 2.833 1.00 0.00 C ATOM 966 OG SER A 61 -16.225 -0.659 2.080 1.00 0.00 O ATOM 0 H SER A 61 -14.144 -4.179 3.214 1.00 0.00 H new ATOM 0 HA SER A 61 -15.080 -2.568 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.521 -2.361 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.175 -1.359 3.707 1.00 0.00 H new ATOM 0 HG SER A 61 -16.831 -0.132 2.642 1.00 0.00 H new ATOM 972 N ILE A 62 -13.022 -1.122 1.135 1.00 0.00 N ATOM 973 CA ILE A 62 -11.705 -0.499 1.095 1.00 0.00 C ATOM 974 C ILE A 62 -11.500 0.429 2.287 1.00 0.00 C ATOM 975 O ILE A 62 -12.264 1.374 2.492 1.00 0.00 O ATOM 976 CB ILE A 62 -11.499 0.300 -0.205 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.509 -0.639 -1.413 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.195 1.082 -0.145 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.620 0.082 -2.738 1.00 0.00 C ATOM 0 H ILE A 62 -13.659 -0.810 0.402 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.973 -1.306 1.135 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.320 1.009 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.596 -1.234 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.343 -1.334 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.063 1.642 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.224 1.774 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.362 0.391 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.621 -0.646 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.547 0.655 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.772 0.757 -2.857 1.00 0.00 H new ATOM 991 N LEU A 63 -10.462 0.156 3.071 1.00 0.00 N ATOM 992 CA LEU A 63 -10.154 0.969 4.243 1.00 0.00 C ATOM 993 C LEU A 63 -9.434 2.252 3.842 1.00 0.00 C ATOM 994 O LEU A 63 -9.700 3.322 4.388 1.00 0.00 O ATOM 995 CB LEU A 63 -9.294 0.174 5.227 1.00 0.00 C ATOM 996 CG LEU A 63 -9.829 -1.202 5.628 1.00 0.00 C ATOM 997 CD1 LEU A 63 -8.814 -1.940 6.486 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.154 -1.064 6.364 1.00 0.00 C ATOM 0 H LEU A 63 -9.820 -0.621 2.916 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.094 1.238 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.304 0.043 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.167 0.770 6.131 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.998 -1.784 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.212 -2.917 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.889 -2.070 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.612 -1.363 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.520 -2.052 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.010 -0.464 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.882 -0.577 5.715 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.521 2.137 2.882 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.778 3.296 2.423 1.00 0.00 C ATOM 1012 C GLY A 64 -7.072 3.047 1.104 1.00 0.00 C ATOM 1013 O GLY A 64 -6.162 2.222 1.026 1.00 0.00 O ATOM 0 H GLY A 64 -8.283 1.262 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.459 4.140 2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.043 3.575 3.178 1.00 0.00 H new ATOM 1017 N SER A 65 -7.494 3.761 0.065 1.00 0.00 N ATOM 1018 CA SER A 65 -6.900 3.609 -1.258 1.00 0.00 C ATOM 1019 C SER A 65 -5.707 4.545 -1.428 1.00 0.00 C ATOM 1020 O SER A 65 -5.726 5.683 -0.960 1.00 0.00 O ATOM 1021 CB SER A 65 -7.942 3.889 -2.343 1.00 0.00 C ATOM 1022 OG SER A 65 -8.556 5.151 -2.147 1.00 0.00 O ATOM 0 H SER A 65 -8.245 4.450 0.114 1.00 0.00 H new ATOM 0 HA SER A 65 -6.550 2.581 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.467 3.861 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.701 3.107 -2.333 1.00 0.00 H new ATOM 0 HG SER A 65 -9.216 5.307 -2.854 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.672 4.056 -2.102 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.471 4.848 -2.336 1.00 0.00 C ATOM 1030 C ILE A 66 -2.950 4.650 -3.755 1.00 0.00 C ATOM 1031 O ILE A 66 -2.479 3.574 -4.126 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.356 4.488 -1.337 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.837 4.706 0.099 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.109 5.314 -1.614 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.087 3.880 1.120 1.00 0.00 C ATOM 0 H ILE A 66 -4.641 3.116 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.750 5.892 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.105 3.434 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.734 5.761 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.899 4.466 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.330 5.048 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.757 5.113 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.345 6.374 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.481 4.086 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.210 2.821 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.028 4.137 1.089 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.032 5.713 -4.570 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.572 5.682 -5.961 1.00 0.00 C ATOM 1049 C PRO A 67 -1.053 5.596 -6.067 1.00 0.00 C ATOM 1050 O PRO A 67 -0.339 6.512 -5.656 1.00 0.00 O ATOM 1051 CB PRO A 67 -3.073 7.012 -6.530 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.191 7.910 -5.347 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.581 7.027 -4.194 1.00 0.00 C ATOM 0 HA PRO A 67 -2.944 4.807 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.377 7.415 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.033 6.891 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.248 8.418 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.940 8.683 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.160 7.384 -3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.663 6.989 -4.065 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.565 4.491 -6.620 1.00 0.00 N ATOM 1062 CA LEU A 68 0.871 4.285 -6.780 1.00 0.00 C ATOM 1063 C LEU A 68 1.376 4.947 -8.058 1.00 0.00 C ATOM 1064 O LEU A 68 2.498 5.453 -8.107 1.00 0.00 O ATOM 1065 CB LEU A 68 1.192 2.790 -6.806 1.00 0.00 C ATOM 1066 CG LEU A 68 1.201 2.083 -5.450 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.240 0.574 -5.636 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.382 2.549 -4.613 1.00 0.00 C ATOM 0 H LEU A 68 -1.142 3.724 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 68 1.376 4.744 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.464 2.293 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.169 2.656 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 68 0.283 2.340 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.246 0.087 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.362 0.254 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.141 0.298 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.372 2.035 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.311 2.322 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.311 3.624 -4.450 1.00 0.00 H new ATOM 1080 N LEU A 69 0.540 4.943 -9.091 1.00 0.00 N ATOM 1081 CA LEU A 69 0.900 5.546 -10.369 1.00 0.00 C ATOM 1082 C LEU A 69 1.617 6.876 -10.162 1.00 0.00 C ATOM 1083 O LEU A 69 2.368 7.329 -11.025 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.349 5.755 -11.227 1.00 0.00 C ATOM 1085 CG LEU A 69 -1.033 7.116 -11.096 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -0.278 8.172 -11.888 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -2.480 7.032 -11.559 1.00 0.00 C ATOM 0 H LEU A 69 -0.392 4.529 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 69 1.578 4.866 -10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.077 5.607 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.073 4.981 -10.974 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.025 7.406 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.780 9.134 -11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.741 8.251 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.253 7.889 -12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.951 8.010 -11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.510 6.720 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.016 6.306 -10.947 1.00 0.00 H new ATOM 1099 N SER A 70 1.381 7.496 -9.010 1.00 0.00 N ATOM 1100 CA SER A 70 2.003 8.775 -8.689 1.00 0.00 C ATOM 1101 C SER A 70 2.934 8.641 -7.488 1.00 0.00 C ATOM 1102 O SER A 70 2.943 9.491 -6.597 1.00 0.00 O ATOM 1103 CB SER A 70 0.932 9.830 -8.404 1.00 0.00 C ATOM 1104 OG SER A 70 1.515 11.103 -8.185 1.00 0.00 O ATOM 0 H SER A 70 0.764 7.133 -8.284 1.00 0.00 H new ATOM 0 HA SER A 70 2.593 9.090 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.238 9.884 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.352 9.537 -7.529 1.00 0.00 H new ATOM 0 HG SER A 70 2.212 11.030 -7.500 1.00 0.00 H new ATOM 1110 N PHE A 71 3.715 7.566 -7.470 1.00 0.00 N ATOM 1111 CA PHE A 71 4.649 7.318 -6.378 1.00 0.00 C ATOM 1112 C PHE A 71 5.941 6.695 -6.898 1.00 0.00 C ATOM 1113 O PHE A 71 6.058 6.381 -8.082 1.00 0.00 O ATOM 1114 CB PHE A 71 4.012 6.402 -5.331 1.00 0.00 C ATOM 1115 CG PHE A 71 3.180 7.135 -4.318 1.00 0.00 C ATOM 1116 CD1 PHE A 71 1.966 7.698 -4.676 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.613 7.262 -3.008 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.199 8.374 -3.746 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.850 7.936 -2.074 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.641 8.492 -2.443 1.00 0.00 C ATOM 0 H PHE A 71 3.720 6.853 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 71 4.889 8.275 -5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.388 5.665 -5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.799 5.853 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.615 7.608 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.558 6.829 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.255 8.810 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.199 8.028 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.042 9.018 -1.714 1.00 0.00 H new ATOM 1130 N ARG A 72 6.908 6.518 -6.003 1.00 0.00 N ATOM 1131 CA ARG A 72 8.192 5.934 -6.371 1.00 0.00 C ATOM 1132 C ARG A 72 8.613 4.868 -5.363 1.00 0.00 C ATOM 1133 O ARG A 72 9.241 5.173 -4.348 1.00 0.00 O ATOM 1134 CB ARG A 72 9.264 7.021 -6.459 1.00 0.00 C ATOM 1135 CG ARG A 72 9.279 7.756 -7.789 1.00 0.00 C ATOM 1136 CD ARG A 72 10.581 8.514 -7.993 1.00 0.00 C ATOM 1137 NE ARG A 72 10.771 9.555 -6.987 1.00 0.00 N ATOM 1138 CZ ARG A 72 11.689 10.511 -7.082 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.497 10.556 -8.133 1.00 0.00 N ATOM 1140 NH2 ARG A 72 11.801 11.423 -6.126 1.00 0.00 N ATOM 0 H ARG A 72 6.826 6.771 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 72 8.082 5.462 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.105 7.742 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.242 6.569 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.141 7.043 -8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.441 8.452 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.417 7.816 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.587 8.964 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 72 10.166 9.548 -6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.414 9.856 -8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.201 11.291 -8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.182 11.391 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.506 12.156 -6.201 1.00 0.00 H new ATOM 1154 N VAL A 73 8.263 3.618 -5.649 1.00 0.00 N ATOM 1155 CA VAL A 73 8.606 2.508 -4.768 1.00 0.00 C ATOM 1156 C VAL A 73 10.095 2.190 -4.839 1.00 0.00 C ATOM 1157 O VAL A 73 10.704 2.253 -5.906 1.00 0.00 O ATOM 1158 CB VAL A 73 7.804 1.242 -5.124 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.051 0.147 -4.098 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.320 1.563 -5.227 1.00 0.00 C ATOM 0 H VAL A 73 7.742 3.349 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 73 8.352 2.817 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 73 8.142 0.880 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.476 -0.739 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.112 -0.101 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.742 0.495 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.768 0.657 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.964 1.950 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.163 2.312 -6.004 1.00 0.00 H new ATOM 1170 N ALA A 74 10.676 1.847 -3.694 1.00 0.00 N ATOM 1171 CA ALA A 74 12.094 1.516 -3.625 1.00 0.00 C ATOM 1172 C ALA A 74 12.475 1.019 -2.235 1.00 0.00 C ATOM 1173 O ALA A 74 12.185 1.670 -1.232 1.00 0.00 O ATOM 1174 CB ALA A 74 12.937 2.724 -4.006 1.00 0.00 C ATOM 0 H ALA A 74 10.186 1.791 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 74 12.289 0.712 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.994 2.463 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.693 3.032 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.729 3.544 -3.319 1.00 0.00 H new ATOM 1180 N ALA A 75 13.126 -0.139 -2.184 1.00 0.00 N ATOM 1181 CA ALA A 75 13.548 -0.722 -0.917 1.00 0.00 C ATOM 1182 C ALA A 75 14.103 0.344 0.021 1.00 0.00 C ATOM 1183 O ALA A 75 14.491 1.428 -0.416 1.00 0.00 O ATOM 1184 CB ALA A 75 14.585 -1.810 -1.155 1.00 0.00 C ATOM 0 H ALA A 75 13.372 -0.691 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 75 12.674 -1.167 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.891 -2.236 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.155 -2.592 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.453 -1.382 -1.656 1.00 0.00 H new ATOM 1190 N VAL A 76 14.139 0.030 1.312 1.00 0.00 N ATOM 1191 CA VAL A 76 14.648 0.962 2.312 1.00 0.00 C ATOM 1192 C VAL A 76 16.169 1.053 2.255 1.00 0.00 C ATOM 1193 O VAL A 76 16.818 0.298 1.531 1.00 0.00 O ATOM 1194 CB VAL A 76 14.222 0.548 3.733 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.837 1.089 4.054 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.260 -0.965 3.880 1.00 0.00 C ATOM 0 H VAL A 76 13.822 -0.863 1.690 1.00 0.00 H new ATOM 0 HA VAL A 76 14.220 1.938 2.082 1.00 0.00 H new ATOM 0 HB VAL A 76 14.927 0.977 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.553 0.786 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.848 2.177 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.116 0.692 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.956 -1.240 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.578 -1.418 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.273 -1.323 3.696 1.00 0.00 H new ATOM 1206 N GLN A 77 16.730 1.980 3.023 1.00 0.00 N ATOM 1207 CA GLN A 77 18.175 2.169 3.059 1.00 0.00 C ATOM 1208 C GLN A 77 18.743 1.767 4.417 1.00 0.00 C ATOM 1209 O GLN A 77 18.030 1.692 5.417 1.00 0.00 O ATOM 1210 CB GLN A 77 18.528 3.627 2.758 1.00 0.00 C ATOM 1211 CG GLN A 77 18.707 3.915 1.276 1.00 0.00 C ATOM 1212 CD GLN A 77 19.417 5.230 1.019 1.00 0.00 C ATOM 1213 OE1 GLN A 77 20.578 5.405 1.389 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.721 6.164 0.381 1.00 0.00 N ATOM 0 H GLN A 77 16.206 2.612 3.629 1.00 0.00 H new ATOM 0 HA GLN A 77 18.618 1.530 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.743 4.271 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.447 3.886 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.274 3.105 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.730 3.933 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.761 5.976 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.147 7.069 0.180 1.00 0.00 H new ATOM 1223 N PRO A 78 20.057 1.502 4.454 1.00 0.00 N ATOM 1224 CA PRO A 78 20.750 1.103 5.683 1.00 0.00 C ATOM 1225 C PRO A 78 20.852 2.245 6.687 1.00 0.00 C ATOM 1226 O PRO A 78 21.253 2.042 7.834 1.00 0.00 O ATOM 1227 CB PRO A 78 22.141 0.697 5.190 1.00 0.00 C ATOM 1228 CG PRO A 78 22.332 1.459 3.924 1.00 0.00 C ATOM 1229 CD PRO A 78 20.969 1.572 3.299 1.00 0.00 C ATOM 0 HA PRO A 78 20.221 0.309 6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.909 0.947 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.202 -0.378 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.754 2.445 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.025 0.943 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.854 2.508 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.783 0.764 2.591 1.00 0.00 H new ATOM 1237 N SER A 79 20.487 3.446 6.250 1.00 0.00 N ATOM 1238 CA SER A 79 20.542 4.622 7.111 1.00 0.00 C ATOM 1239 C SER A 79 19.216 4.825 7.838 1.00 0.00 C ATOM 1240 O SER A 79 19.154 5.505 8.862 1.00 0.00 O ATOM 1241 CB SER A 79 20.881 5.867 6.289 1.00 0.00 C ATOM 1242 OG SER A 79 19.852 6.161 5.361 1.00 0.00 O ATOM 0 H SER A 79 20.150 3.630 5.305 1.00 0.00 H new ATOM 0 HA SER A 79 21.324 4.462 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.028 6.717 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.820 5.711 5.758 1.00 0.00 H new ATOM 0 HG SER A 79 20.092 6.962 4.849 1.00 0.00 H new ATOM 1248 N ASP A 80 18.157 4.230 7.300 1.00 0.00 N ATOM 1249 CA ASP A 80 16.831 4.343 7.896 1.00 0.00 C ATOM 1250 C ASP A 80 16.773 3.616 9.236 1.00 0.00 C ATOM 1251 O ASP A 80 17.564 2.710 9.496 1.00 0.00 O ATOM 1252 CB ASP A 80 15.772 3.777 6.949 1.00 0.00 C ATOM 1253 CG ASP A 80 14.400 4.377 7.189 1.00 0.00 C ATOM 1254 OD1 ASP A 80 14.266 5.196 8.122 1.00 0.00 O ATOM 1255 OD2 ASP A 80 13.461 4.027 6.444 1.00 0.00 O ATOM 0 H ASP A 80 18.191 3.664 6.452 1.00 0.00 H new ATOM 0 HA ASP A 80 16.626 5.400 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.072 3.966 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.719 2.695 7.073 1.00 0.00 H new ATOM 1260 N ASN A 81 15.833 4.021 10.084 1.00 0.00 N ATOM 1261 CA ASN A 81 15.674 3.409 11.398 1.00 0.00 C ATOM 1262 C ASN A 81 14.632 2.295 11.357 1.00 0.00 C ATOM 1263 O ASN A 81 13.753 2.222 12.216 1.00 0.00 O ATOM 1264 CB ASN A 81 15.269 4.464 12.429 1.00 0.00 C ATOM 1265 CG ASN A 81 16.274 5.596 12.524 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.922 6.767 12.380 1.00 0.00 O ATOM 1267 ND2 ASN A 81 17.533 5.250 12.767 1.00 0.00 N ATOM 0 H ASN A 81 15.170 4.770 9.885 1.00 0.00 H new ATOM 0 HA ASN A 81 16.631 2.976 11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.293 4.870 12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.164 3.992 13.406 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.254 5.968 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.779 4.267 12.879 1.00 0.00 H new ATOM 1274 N ILE A 82 14.737 1.431 10.353 1.00 0.00 N ATOM 1275 CA ILE A 82 13.805 0.321 10.201 1.00 0.00 C ATOM 1276 C ILE A 82 14.479 -1.010 10.516 1.00 0.00 C ATOM 1277 O ILE A 82 15.232 -1.544 9.701 1.00 0.00 O ATOM 1278 CB ILE A 82 13.224 0.265 8.776 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.312 1.468 8.526 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.463 -1.036 8.565 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.139 1.160 7.622 1.00 0.00 C ATOM 0 H ILE A 82 15.458 1.478 9.633 1.00 0.00 H new ATOM 0 HA ILE A 82 12.994 0.491 10.909 1.00 0.00 H new ATOM 0 HB ILE A 82 14.047 0.302 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.937 1.834 9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.899 2.273 8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.058 -1.061 7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.139 -1.880 8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.646 -1.101 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.536 2.058 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.506 0.822 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.529 0.377 8.072 1.00 0.00 H new ATOM 1293 N SER A 83 14.202 -1.542 11.702 1.00 0.00 N ATOM 1294 CA SER A 83 14.783 -2.811 12.126 1.00 0.00 C ATOM 1295 C SER A 83 14.396 -3.933 11.168 1.00 0.00 C ATOM 1296 O SER A 83 15.244 -4.710 10.729 1.00 0.00 O ATOM 1297 CB SER A 83 14.328 -3.156 13.545 1.00 0.00 C ATOM 1298 OG SER A 83 12.935 -3.412 13.585 1.00 0.00 O ATOM 0 H SER A 83 13.579 -1.114 12.387 1.00 0.00 H new ATOM 0 HA SER A 83 15.868 -2.707 12.116 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.872 -4.030 13.902 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.569 -2.333 14.218 1.00 0.00 H new ATOM 0 HG SER A 83 12.669 -3.632 14.502 1.00 0.00 H new ATOM 1304 N ARG A 84 13.108 -4.011 10.848 1.00 0.00 N ATOM 1305 CA ARG A 84 12.606 -5.038 9.943 1.00 0.00 C ATOM 1306 C ARG A 84 13.341 -4.991 8.607 1.00 0.00 C ATOM 1307 O ARG A 84 13.586 -3.917 8.057 1.00 0.00 O ATOM 1308 CB ARG A 84 11.104 -4.860 9.718 1.00 0.00 C ATOM 1309 CG ARG A 84 10.270 -5.082 10.969 1.00 0.00 C ATOM 1310 CD ARG A 84 8.881 -4.479 10.827 1.00 0.00 C ATOM 1311 NE ARG A 84 7.905 -5.146 11.684 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.469 -6.384 11.478 1.00 0.00 C ATOM 1313 NH1 ARG A 84 7.922 -7.086 10.449 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.580 -6.922 12.303 1.00 0.00 N ATOM 0 H ARG A 84 12.393 -3.375 11.202 1.00 0.00 H new ATOM 0 HA ARG A 84 12.784 -6.010 10.402 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.918 -3.854 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.776 -5.555 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.185 -6.151 11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.774 -4.638 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.919 -3.419 11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.559 -4.550 9.788 1.00 0.00 H new ATOM 0 HE ARG A 84 7.537 -4.633 12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.607 -6.676 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.586 -8.036 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.230 -6.385 13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.246 -7.873 12.144 1.00 0.00 H new ATOM 1328 N LYS A 85 13.691 -6.164 8.089 1.00 0.00 N ATOM 1329 CA LYS A 85 14.398 -6.258 6.816 1.00 0.00 C ATOM 1330 C LYS A 85 13.419 -6.463 5.665 1.00 0.00 C ATOM 1331 O LYS A 85 12.216 -6.619 5.879 1.00 0.00 O ATOM 1332 CB LYS A 85 15.405 -7.409 6.854 1.00 0.00 C ATOM 1333 CG LYS A 85 16.399 -7.311 7.998 1.00 0.00 C ATOM 1334 CD LYS A 85 16.962 -8.674 8.367 1.00 0.00 C ATOM 1335 CE LYS A 85 17.353 -8.737 9.835 1.00 0.00 C ATOM 1336 NZ LYS A 85 16.218 -9.177 10.693 1.00 0.00 N ATOM 0 H LYS A 85 13.497 -7.063 8.531 1.00 0.00 H new ATOM 0 HA LYS A 85 14.931 -5.321 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.864 -8.352 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.951 -7.434 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.214 -6.644 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.912 -6.870 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.221 -9.445 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.833 -8.889 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.190 -9.425 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.696 -7.755 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.525 -9.207 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.429 -8.507 10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.907 -10.124 10.398 1.00 0.00 H new ATOM 1350 N HIS A 86 13.941 -6.462 4.442 1.00 0.00 N ATOM 1351 CA HIS A 86 13.113 -6.650 3.257 1.00 0.00 C ATOM 1352 C HIS A 86 11.936 -5.678 3.256 1.00 0.00 C ATOM 1353 O HIS A 86 10.787 -6.077 3.066 1.00 0.00 O ATOM 1354 CB HIS A 86 12.601 -8.089 3.189 1.00 0.00 C ATOM 1355 CG HIS A 86 13.604 -9.103 3.644 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.873 -9.197 3.113 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.520 -10.071 4.587 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.526 -10.180 3.708 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.727 -10.725 4.607 1.00 0.00 N ATOM 0 H HIS A 86 14.934 -6.333 4.246 1.00 0.00 H new ATOM 0 HA HIS A 86 13.728 -6.449 2.380 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.704 -8.176 3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.309 -8.314 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.663 -10.288 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.540 -10.485 3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.968 -11.506 5.218 1.00 0.00 H new ATOM 1368 N THR A 87 12.231 -4.400 3.472 1.00 0.00 N ATOM 1369 CA THR A 87 11.198 -3.372 3.499 1.00 0.00 C ATOM 1370 C THR A 87 11.312 -2.446 2.293 1.00 0.00 C ATOM 1371 O THR A 87 12.368 -2.354 1.666 1.00 0.00 O ATOM 1372 CB THR A 87 11.277 -2.530 4.786 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.859 -3.313 5.910 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.405 -1.288 4.675 1.00 0.00 C ATOM 0 H THR A 87 13.177 -4.052 3.631 1.00 0.00 H new ATOM 0 HA THR A 87 10.238 -3.888 3.469 1.00 0.00 H new ATOM 0 HB THR A 87 12.312 -2.217 4.926 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.914 -2.771 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.477 -0.709 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.744 -0.679 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.369 -1.584 4.513 1.00 0.00 H new ATOM 1382 N PHE A 88 10.219 -1.763 1.972 1.00 0.00 N ATOM 1383 CA PHE A 88 10.196 -0.844 0.840 1.00 0.00 C ATOM 1384 C PHE A 88 9.150 0.248 1.046 1.00 0.00 C ATOM 1385 O PHE A 88 8.007 -0.031 1.409 1.00 0.00 O ATOM 1386 CB PHE A 88 9.907 -1.605 -0.456 1.00 0.00 C ATOM 1387 CG PHE A 88 8.597 -2.340 -0.440 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.359 -3.338 0.491 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.603 -2.031 -1.355 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.155 -4.016 0.507 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.396 -2.705 -1.343 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.172 -3.699 -0.410 1.00 0.00 C ATOM 0 H PHE A 88 9.337 -1.828 2.480 1.00 0.00 H new ATOM 0 HA PHE A 88 11.176 -0.374 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.910 -0.902 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.712 -2.317 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.123 -3.589 1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.773 -1.254 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.983 -4.794 1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.630 -2.455 -2.062 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.230 -4.227 -0.398 1.00 0.00 H new ATOM 1402 N LYS A 89 9.550 1.493 0.812 1.00 0.00 N ATOM 1403 CA LYS A 89 8.649 2.629 0.971 1.00 0.00 C ATOM 1404 C LYS A 89 8.456 3.359 -0.354 1.00 0.00 C ATOM 1405 O LYS A 89 9.371 3.430 -1.174 1.00 0.00 O ATOM 1406 CB LYS A 89 9.196 3.597 2.023 1.00 0.00 C ATOM 1407 CG LYS A 89 10.376 4.421 1.537 1.00 0.00 C ATOM 1408 CD LYS A 89 11.697 3.727 1.824 1.00 0.00 C ATOM 1409 CE LYS A 89 12.759 4.107 0.804 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.216 5.514 0.977 1.00 0.00 N ATOM 0 H LYS A 89 10.493 1.741 0.511 1.00 0.00 H new ATOM 0 HA LYS A 89 7.682 2.250 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.398 4.270 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.498 3.030 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.282 4.597 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.364 5.397 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.039 3.993 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.551 2.647 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.611 3.434 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.360 3.976 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.939 5.734 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.408 6.158 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.620 5.633 1.928 1.00 0.00 H new ATOM 1424 N ALA A 90 7.259 3.901 -0.557 1.00 0.00 N ATOM 1425 CA ALA A 90 6.947 4.629 -1.780 1.00 0.00 C ATOM 1426 C ALA A 90 6.847 6.128 -1.518 1.00 0.00 C ATOM 1427 O ALA A 90 6.188 6.558 -0.572 1.00 0.00 O ATOM 1428 CB ALA A 90 5.653 4.109 -2.388 1.00 0.00 C ATOM 0 H ALA A 90 6.490 3.849 0.111 1.00 0.00 H new ATOM 0 HA ALA A 90 7.760 4.465 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.432 4.662 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.761 3.050 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.838 4.242 -1.677 1.00 0.00 H new ATOM 1434 N GLU A 91 7.505 6.917 -2.361 1.00 0.00 N ATOM 1435 CA GLU A 91 7.490 8.368 -2.217 1.00 0.00 C ATOM 1436 C GLU A 91 7.010 9.037 -3.502 1.00 0.00 C ATOM 1437 O GLU A 91 7.393 8.639 -4.603 1.00 0.00 O ATOM 1438 CB GLU A 91 8.884 8.882 -1.851 1.00 0.00 C ATOM 1439 CG GLU A 91 9.734 9.247 -3.057 1.00 0.00 C ATOM 1440 CD GLU A 91 11.219 9.230 -2.750 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.749 10.279 -2.328 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.851 8.168 -2.932 1.00 0.00 O ATOM 0 H GLU A 91 8.055 6.577 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 91 6.796 8.620 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.782 9.758 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.402 8.120 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.526 8.549 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.451 10.239 -3.410 1.00 0.00 H new ATOM 1449 N HIS A 92 6.170 10.056 -3.354 1.00 0.00 N ATOM 1450 CA HIS A 92 5.637 10.781 -4.502 1.00 0.00 C ATOM 1451 C HIS A 92 6.284 12.158 -4.623 1.00 0.00 C ATOM 1452 O HIS A 92 6.058 12.877 -5.596 1.00 0.00 O ATOM 1453 CB HIS A 92 4.120 10.927 -4.382 1.00 0.00 C ATOM 1454 CG HIS A 92 3.535 11.919 -5.339 1.00 0.00 C ATOM 1455 ND1 HIS A 92 3.559 11.964 -6.692 1.00 0.00 N flip ATOM 1456 CD2 HIS A 92 2.827 13.030 -4.933 1.00 0.00 C flip ATOM 1457 CE1 HIS A 92 2.870 13.088 -7.074 1.00 0.00 C flip ATOM 1458 NE2 HIS A 92 2.438 13.714 -5.994 1.00 0.00 N flip ATOM 0 H HIS A 92 5.844 10.399 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 92 5.869 10.209 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.656 9.955 -4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.872 11.227 -3.364 1.00 0.00 H new ATOM 0 HD1 HIS A 92 4.006 11.288 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.622 13.299 -3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.707 13.409 -8.092 1.00 0.00 H new ATOM 1467 N ALA A 93 7.089 12.517 -3.628 1.00 0.00 N ATOM 1468 CA ALA A 93 7.769 13.807 -3.624 1.00 0.00 C ATOM 1469 C ALA A 93 6.777 14.951 -3.798 1.00 0.00 C ATOM 1470 O ALA A 93 6.947 15.807 -4.665 1.00 0.00 O ATOM 1471 CB ALA A 93 8.825 13.850 -4.719 1.00 0.00 C ATOM 0 H ALA A 93 7.286 11.933 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 93 8.258 13.929 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.325 14.819 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.558 13.061 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.350 13.701 -5.689 1.00 0.00 H new ATOM 1477 N GLY A 94 5.738 14.960 -2.968 1.00 0.00 N ATOM 1478 CA GLY A 94 4.733 16.004 -3.048 1.00 0.00 C ATOM 1479 C GLY A 94 3.642 15.839 -2.008 1.00 0.00 C ATOM 1480 O GLY A 94 3.125 16.823 -1.480 1.00 0.00 O ATOM 0 H GLY A 94 5.575 14.263 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.211 16.975 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.287 15.999 -4.042 1.00 0.00 H new ATOM 1484 N VAL A 95 3.290 14.591 -1.715 1.00 0.00 N ATOM 1485 CA VAL A 95 2.253 14.301 -0.732 1.00 0.00 C ATOM 1486 C VAL A 95 2.848 13.683 0.528 1.00 0.00 C ATOM 1487 O VAL A 95 2.891 14.317 1.582 1.00 0.00 O ATOM 1488 CB VAL A 95 1.188 13.347 -1.305 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.026 13.290 -0.390 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.788 13.777 -2.708 1.00 0.00 C ATOM 0 H VAL A 95 3.708 13.765 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 95 1.781 15.251 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 95 1.616 12.346 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.768 12.611 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.277 12.932 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.458 14.286 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.035 13.092 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.378 14.787 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.664 13.761 -3.357 1.00 0.00 H new ATOM 1500 N ARG A 96 3.306 12.441 0.412 1.00 0.00 N ATOM 1501 CA ARG A 96 3.898 11.736 1.542 1.00 0.00 C ATOM 1502 C ARG A 96 4.676 10.510 1.072 1.00 0.00 C ATOM 1503 O ARG A 96 4.786 10.254 -0.128 1.00 0.00 O ATOM 1504 CB ARG A 96 2.812 11.314 2.533 1.00 0.00 C ATOM 1505 CG ARG A 96 2.002 10.113 2.074 1.00 0.00 C ATOM 1506 CD ARG A 96 0.872 10.526 1.144 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.230 11.155 1.867 1.00 0.00 N ATOM 1508 CZ ARG A 96 -1.482 11.178 1.423 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.789 10.609 0.265 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -2.430 11.770 2.138 1.00 0.00 N ATOM 0 H ARG A 96 3.278 11.902 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 96 4.590 12.416 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.277 11.083 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.138 12.154 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.655 9.406 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.591 9.597 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.255 11.218 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.503 9.650 0.611 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.027 11.601 2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.063 10.152 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.751 10.628 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.198 12.208 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.391 11.787 1.796 1.00 0.00 H new ATOM 1524 N THR A 97 5.215 9.756 2.025 1.00 0.00 N ATOM 1525 CA THR A 97 5.984 8.559 1.708 1.00 0.00 C ATOM 1526 C THR A 97 5.489 7.360 2.510 1.00 0.00 C ATOM 1527 O THR A 97 5.763 7.244 3.704 1.00 0.00 O ATOM 1528 CB THR A 97 7.485 8.765 1.988 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.949 9.946 1.324 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.292 7.564 1.521 1.00 0.00 C ATOM 0 H THR A 97 5.133 9.953 3.022 1.00 0.00 H new ATOM 0 HA THR A 97 5.844 8.365 0.645 1.00 0.00 H new ATOM 0 HB THR A 97 7.620 8.877 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.903 10.071 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.349 7.732 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.956 6.672 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.151 7.425 0.449 1.00 0.00 H new ATOM 1538 N TYR A 98 4.761 6.470 1.845 1.00 0.00 N ATOM 1539 CA TYR A 98 4.227 5.280 2.496 1.00 0.00 C ATOM 1540 C TYR A 98 5.304 4.211 2.645 1.00 0.00 C ATOM 1541 O TYR A 98 6.258 4.162 1.869 1.00 0.00 O ATOM 1542 CB TYR A 98 3.046 4.723 1.699 1.00 0.00 C ATOM 1543 CG TYR A 98 1.727 5.385 2.028 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.999 5.009 3.151 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.209 6.388 1.217 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.207 5.611 3.455 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.005 6.996 1.514 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.700 6.604 2.634 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.900 7.206 2.934 1.00 0.00 O ATOM 0 H TYR A 98 4.527 6.550 0.855 1.00 0.00 H new ATOM 0 HA TYR A 98 3.883 5.565 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.248 4.843 0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.963 3.653 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.383 4.233 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.757 6.697 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.761 5.306 4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.383 7.774 0.873 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.104 7.885 2.257 1.00 0.00 H new ATOM 1559 N PHE A 99 5.143 3.354 3.649 1.00 0.00 N ATOM 1560 CA PHE A 99 6.102 2.284 3.901 1.00 0.00 C ATOM 1561 C PHE A 99 5.414 0.922 3.880 1.00 0.00 C ATOM 1562 O PHE A 99 4.211 0.817 4.120 1.00 0.00 O ATOM 1563 CB PHE A 99 6.793 2.498 5.249 1.00 0.00 C ATOM 1564 CG PHE A 99 8.035 3.337 5.160 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.951 4.703 4.944 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.288 2.759 5.290 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.092 5.478 4.861 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.433 3.529 5.209 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.335 4.890 4.993 1.00 0.00 C ATOM 0 H PHE A 99 4.358 3.380 4.300 1.00 0.00 H new ATOM 0 HA PHE A 99 6.851 2.306 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.092 2.972 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.049 1.528 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.982 5.168 4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.371 1.695 5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.012 6.542 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.404 3.067 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.229 5.493 4.927 1.00 0.00 H new ATOM 1579 N PHE A 100 6.186 -0.119 3.588 1.00 0.00 N ATOM 1580 CA PHE A 100 5.653 -1.475 3.533 1.00 0.00 C ATOM 1581 C PHE A 100 6.755 -2.504 3.772 1.00 0.00 C ATOM 1582 O PHE A 100 7.725 -2.575 3.018 1.00 0.00 O ATOM 1583 CB PHE A 100 4.987 -1.729 2.179 1.00 0.00 C ATOM 1584 CG PHE A 100 4.052 -0.633 1.756 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.828 -0.467 2.385 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.396 0.232 0.730 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.965 0.541 1.998 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.538 1.242 0.339 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.320 1.396 0.973 1.00 0.00 C ATOM 0 H PHE A 100 7.183 -0.050 3.386 1.00 0.00 H new ATOM 0 HA PHE A 100 4.908 -1.578 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.760 -1.849 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.436 -2.668 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.545 -1.133 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.346 0.116 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.014 0.660 2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.819 1.910 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.647 2.183 0.668 1.00 0.00 H new ATOM 1599 N SER A 101 6.597 -3.297 4.826 1.00 0.00 N ATOM 1600 CA SER A 101 7.580 -4.319 5.168 1.00 0.00 C ATOM 1601 C SER A 101 7.130 -5.692 4.676 1.00 0.00 C ATOM 1602 O SER A 101 5.941 -5.927 4.462 1.00 0.00 O ATOM 1603 CB SER A 101 7.805 -4.355 6.680 1.00 0.00 C ATOM 1604 OG SER A 101 8.575 -5.484 7.055 1.00 0.00 O ATOM 0 H SER A 101 5.798 -3.252 5.458 1.00 0.00 H new ATOM 0 HA SER A 101 8.518 -4.065 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.312 -3.444 6.997 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.844 -4.380 7.193 1.00 0.00 H new ATOM 0 HG SER A 101 9.522 -5.309 6.875 1.00 0.00 H new ATOM 1610 N ALA A 102 8.089 -6.594 4.500 1.00 0.00 N ATOM 1611 CA ALA A 102 7.793 -7.944 4.036 1.00 0.00 C ATOM 1612 C ALA A 102 8.502 -8.987 4.893 1.00 0.00 C ATOM 1613 O ALA A 102 9.633 -8.778 5.331 1.00 0.00 O ATOM 1614 CB ALA A 102 8.191 -8.099 2.576 1.00 0.00 C ATOM 0 H ALA A 102 9.078 -6.415 4.672 1.00 0.00 H new ATOM 0 HA ALA A 102 6.719 -8.106 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.964 -9.112 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.635 -7.384 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.259 -7.912 2.468 1.00 0.00 H new ATOM 1620 N GLU A 103 7.829 -10.109 5.130 1.00 0.00 N ATOM 1621 CA GLU A 103 8.396 -11.183 5.936 1.00 0.00 C ATOM 1622 C GLU A 103 9.626 -11.781 5.259 1.00 0.00 C ATOM 1623 O GLU A 103 10.657 -11.993 5.897 1.00 0.00 O ATOM 1624 CB GLU A 103 7.351 -12.275 6.177 1.00 0.00 C ATOM 1625 CG GLU A 103 6.159 -11.807 6.994 1.00 0.00 C ATOM 1626 CD GLU A 103 5.144 -12.909 7.230 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.342 -13.707 8.170 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.152 -12.973 6.474 1.00 0.00 O ATOM 0 H GLU A 103 6.891 -10.297 4.775 1.00 0.00 H new ATOM 0 HA GLU A 103 8.700 -10.762 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.998 -12.647 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.825 -13.113 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.508 -11.428 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.675 -10.976 6.480 1.00 0.00 H new ATOM 1635 N SER A 104 9.508 -12.051 3.963 1.00 0.00 N ATOM 1636 CA SER A 104 10.608 -12.628 3.200 1.00 0.00 C ATOM 1637 C SER A 104 11.060 -11.678 2.095 1.00 0.00 C ATOM 1638 O SER A 104 10.299 -10.840 1.612 1.00 0.00 O ATOM 1639 CB SER A 104 10.188 -13.969 2.595 1.00 0.00 C ATOM 1640 OG SER A 104 9.564 -13.788 1.336 1.00 0.00 O ATOM 0 H SER A 104 8.662 -11.879 3.420 1.00 0.00 H new ATOM 0 HA SER A 104 11.444 -12.790 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 104 11.062 -14.610 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.504 -14.479 3.273 1.00 0.00 H new ATOM 0 HG SER A 104 9.307 -14.660 0.970 1.00 0.00 H new ATOM 1646 N PRO A 105 12.330 -11.812 1.683 1.00 0.00 N ATOM 1647 CA PRO A 105 12.913 -10.975 0.630 1.00 0.00 C ATOM 1648 C PRO A 105 12.332 -11.285 -0.745 1.00 0.00 C ATOM 1649 O PRO A 105 12.407 -10.465 -1.659 1.00 0.00 O ATOM 1650 CB PRO A 105 14.400 -11.334 0.676 1.00 0.00 C ATOM 1651 CG PRO A 105 14.441 -12.709 1.246 1.00 0.00 C ATOM 1652 CD PRO A 105 13.294 -12.790 2.214 1.00 0.00 C ATOM 0 HA PRO A 105 12.711 -9.916 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.845 -11.304 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.958 -10.632 1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.344 -13.460 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.390 -12.895 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.870 -13.793 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.605 -12.538 3.228 1.00 0.00 H new ATOM 1660 N GLU A 106 11.752 -12.473 -0.883 1.00 0.00 N ATOM 1661 CA GLU A 106 11.158 -12.890 -2.148 1.00 0.00 C ATOM 1662 C GLU A 106 9.850 -12.149 -2.406 1.00 0.00 C ATOM 1663 O GLU A 106 9.429 -11.991 -3.551 1.00 0.00 O ATOM 1664 CB GLU A 106 10.910 -14.400 -2.147 1.00 0.00 C ATOM 1665 CG GLU A 106 12.143 -15.220 -2.485 1.00 0.00 C ATOM 1666 CD GLU A 106 11.886 -16.713 -2.426 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.799 -17.256 -1.305 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.771 -17.339 -3.501 1.00 0.00 O ATOM 0 H GLU A 106 11.681 -13.163 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 106 11.858 -12.644 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.544 -14.699 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.123 -14.631 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.489 -14.954 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.945 -14.966 -1.792 1.00 0.00 H new ATOM 1675 N GLU A 107 9.211 -11.696 -1.331 1.00 0.00 N ATOM 1676 CA GLU A 107 7.950 -10.973 -1.441 1.00 0.00 C ATOM 1677 C GLU A 107 8.194 -9.493 -1.722 1.00 0.00 C ATOM 1678 O GLU A 107 7.517 -8.889 -2.554 1.00 0.00 O ATOM 1679 CB GLU A 107 7.132 -11.131 -0.157 1.00 0.00 C ATOM 1680 CG GLU A 107 6.516 -12.510 0.006 1.00 0.00 C ATOM 1681 CD GLU A 107 5.231 -12.483 0.810 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.648 -11.390 0.962 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.807 -13.557 1.287 1.00 0.00 O ATOM 0 H GLU A 107 9.546 -11.817 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 107 7.390 -11.396 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.773 -10.925 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.338 -10.384 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.316 -12.933 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.233 -13.169 0.496 1.00 0.00 H new ATOM 1690 N GLN A 108 9.166 -8.916 -1.022 1.00 0.00 N ATOM 1691 CA GLN A 108 9.499 -7.507 -1.196 1.00 0.00 C ATOM 1692 C GLN A 108 9.908 -7.218 -2.636 1.00 0.00 C ATOM 1693 O GLN A 108 9.363 -6.320 -3.277 1.00 0.00 O ATOM 1694 CB GLN A 108 10.626 -7.107 -0.242 1.00 0.00 C ATOM 1695 CG GLN A 108 11.158 -5.703 -0.484 1.00 0.00 C ATOM 1696 CD GLN A 108 12.614 -5.555 -0.089 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.331 -6.543 0.066 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.058 -4.314 0.078 1.00 0.00 N ATOM 0 H GLN A 108 9.736 -9.402 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 108 8.611 -6.918 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.265 -7.178 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.445 -7.819 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.044 -5.452 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.558 -4.989 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.428 -3.524 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.029 -4.151 0.345 1.00 0.00 H new ATOM 1707 N GLU A 109 10.872 -7.984 -3.138 1.00 0.00 N ATOM 1708 CA GLU A 109 11.354 -7.808 -4.502 1.00 0.00 C ATOM 1709 C GLU A 109 10.219 -7.982 -5.507 1.00 0.00 C ATOM 1710 O GLU A 109 10.067 -7.185 -6.432 1.00 0.00 O ATOM 1711 CB GLU A 109 12.475 -8.806 -4.803 1.00 0.00 C ATOM 1712 CG GLU A 109 11.975 -10.145 -5.320 1.00 0.00 C ATOM 1713 CD GLU A 109 13.104 -11.109 -5.629 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.012 -10.731 -6.398 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.079 -12.241 -5.102 1.00 0.00 O ATOM 0 H GLU A 109 11.334 -8.732 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 109 11.745 -6.795 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.150 -8.370 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.057 -8.970 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.313 -10.592 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.383 -9.984 -6.221 1.00 0.00 H new ATOM 1722 N ALA A 110 9.426 -9.032 -5.319 1.00 0.00 N ATOM 1723 CA ALA A 110 8.305 -9.311 -6.207 1.00 0.00 C ATOM 1724 C ALA A 110 7.286 -8.176 -6.178 1.00 0.00 C ATOM 1725 O ALA A 110 6.835 -7.708 -7.224 1.00 0.00 O ATOM 1726 CB ALA A 110 7.643 -10.626 -5.825 1.00 0.00 C ATOM 0 H ALA A 110 9.540 -9.703 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 110 8.691 -9.393 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.807 -10.821 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.369 -11.435 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.278 -10.565 -4.800 1.00 0.00 H new ATOM 1732 N TRP A 111 6.928 -7.740 -4.976 1.00 0.00 N ATOM 1733 CA TRP A 111 5.962 -6.660 -4.812 1.00 0.00 C ATOM 1734 C TRP A 111 6.417 -5.405 -5.549 1.00 0.00 C ATOM 1735 O TRP A 111 5.624 -4.751 -6.228 1.00 0.00 O ATOM 1736 CB TRP A 111 5.760 -6.350 -3.328 1.00 0.00 C ATOM 1737 CG TRP A 111 4.654 -7.143 -2.701 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.780 -8.123 -1.757 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.253 -7.025 -2.974 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.543 -8.621 -1.428 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.589 -7.963 -2.159 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.495 -6.217 -3.825 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.205 -8.115 -2.174 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.121 -6.368 -3.838 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.488 -7.310 -3.017 1.00 0.00 C ATOM 0 H TRP A 111 7.292 -8.117 -4.101 1.00 0.00 H new ATOM 0 HA TRP A 111 5.014 -6.986 -5.240 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.689 -6.549 -2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.547 -5.287 -3.212 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.715 -8.457 -1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.364 -9.361 -0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.974 -5.487 -4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.715 -8.842 -1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.525 -5.749 -4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.587 -7.403 -3.050 1.00 0.00 H new ATOM 1756 N ILE A 112 7.696 -5.075 -5.411 1.00 0.00 N ATOM 1757 CA ILE A 112 8.256 -3.899 -6.066 1.00 0.00 C ATOM 1758 C ILE A 112 8.085 -3.978 -7.579 1.00 0.00 C ATOM 1759 O ILE A 112 7.806 -2.975 -8.235 1.00 0.00 O ATOM 1760 CB ILE A 112 9.751 -3.729 -5.737 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.931 -3.317 -4.275 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.384 -2.703 -6.664 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.349 -3.473 -3.773 1.00 0.00 C ATOM 0 H ILE A 112 8.364 -5.605 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 112 7.709 -3.036 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 112 10.252 -4.685 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.626 -2.277 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.266 -3.916 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.440 -2.594 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.284 -3.035 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.882 -1.743 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.402 -3.162 -2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.652 -4.517 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.017 -2.852 -4.371 1.00 0.00 H new ATOM 1775 N GLN A 113 8.253 -5.178 -8.126 1.00 0.00 N ATOM 1776 CA GLN A 113 8.117 -5.388 -9.562 1.00 0.00 C ATOM 1777 C GLN A 113 6.775 -4.863 -10.064 1.00 0.00 C ATOM 1778 O GLN A 113 6.709 -4.172 -11.080 1.00 0.00 O ATOM 1779 CB GLN A 113 8.253 -6.874 -9.897 1.00 0.00 C ATOM 1780 CG GLN A 113 9.593 -7.468 -9.491 1.00 0.00 C ATOM 1781 CD GLN A 113 10.022 -8.609 -10.393 1.00 0.00 C ATOM 1782 OE1 GLN A 113 10.006 -9.773 -9.991 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.409 -8.281 -11.620 1.00 0.00 N ATOM 0 H GLN A 113 8.483 -6.019 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 113 8.913 -4.836 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.455 -7.425 -9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.114 -7.011 -10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.354 -6.687 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.531 -7.826 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.407 -7.303 -11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.709 -9.007 -12.271 1.00 0.00 H new ATOM 1792 N ALA A 114 5.709 -5.196 -9.345 1.00 0.00 N ATOM 1793 CA ALA A 114 4.369 -4.757 -9.716 1.00 0.00 C ATOM 1794 C ALA A 114 4.125 -3.315 -9.285 1.00 0.00 C ATOM 1795 O ALA A 114 3.740 -2.472 -10.095 1.00 0.00 O ATOM 1796 CB ALA A 114 3.323 -5.677 -9.104 1.00 0.00 C ATOM 0 H ALA A 114 5.747 -5.769 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 114 4.286 -4.803 -10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.328 -5.337 -9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.477 -6.694 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.414 -5.660 -8.018 1.00 0.00 H new ATOM 1802 N MET A 115 4.350 -3.039 -8.005 1.00 0.00 N ATOM 1803 CA MET A 115 4.155 -1.698 -7.466 1.00 0.00 C ATOM 1804 C MET A 115 5.072 -0.695 -8.159 1.00 0.00 C ATOM 1805 O MET A 115 4.607 0.256 -8.786 1.00 0.00 O ATOM 1806 CB MET A 115 4.415 -1.687 -5.959 1.00 0.00 C ATOM 1807 CG MET A 115 3.205 -2.088 -5.131 1.00 0.00 C ATOM 1808 SD MET A 115 3.291 -1.481 -3.435 1.00 0.00 S ATOM 1809 CE MET A 115 2.895 -2.970 -2.522 1.00 0.00 C ATOM 0 H MET A 115 4.668 -3.726 -7.321 1.00 0.00 H new ATOM 0 HA MET A 115 3.121 -1.407 -7.651 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.239 -2.365 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.734 -0.688 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.302 -1.704 -5.605 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.121 -3.175 -5.120 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.908 -2.756 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.904 -3.320 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.632 -3.741 -2.747 1.00 0.00 H new ATOM 1819 N GLY A 116 6.378 -0.915 -8.042 1.00 0.00 N ATOM 1820 CA GLY A 116 7.339 -0.022 -8.662 1.00 0.00 C ATOM 1821 C GLY A 116 6.962 0.338 -10.086 1.00 0.00 C ATOM 1822 O GLY A 116 6.963 1.512 -10.457 1.00 0.00 O ATOM 0 H GLY A 116 6.787 -1.696 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.419 0.889 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.322 -0.492 -8.658 1.00 0.00 H new ATOM 1826 N GLU A 117 6.640 -0.674 -10.885 1.00 0.00 N ATOM 1827 CA GLU A 117 6.262 -0.457 -12.276 1.00 0.00 C ATOM 1828 C GLU A 117 4.951 0.318 -12.369 1.00 0.00 C ATOM 1829 O GLU A 117 4.832 1.267 -13.144 1.00 0.00 O ATOM 1830 CB GLU A 117 6.128 -1.796 -13.006 1.00 0.00 C ATOM 1831 CG GLU A 117 7.461 -2.420 -13.381 1.00 0.00 C ATOM 1832 CD GLU A 117 7.305 -3.777 -14.040 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.463 -3.899 -14.954 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.025 -4.716 -13.642 1.00 0.00 O ATOM 0 H GLU A 117 6.633 -1.651 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 117 7.047 0.131 -12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.576 -2.491 -12.374 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.537 -1.650 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.994 -1.751 -14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.074 -2.523 -12.486 1.00 0.00 H new ATOM 1841 N ALA A 118 3.969 -0.093 -11.574 1.00 0.00 N ATOM 1842 CA ALA A 118 2.667 0.563 -11.565 1.00 0.00 C ATOM 1843 C ALA A 118 2.801 2.043 -11.227 1.00 0.00 C ATOM 1844 O ALA A 118 1.998 2.865 -11.667 1.00 0.00 O ATOM 1845 CB ALA A 118 1.737 -0.124 -10.576 1.00 0.00 C ATOM 0 H ALA A 118 4.050 -0.878 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 118 2.240 0.483 -12.565 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.769 0.376 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.608 -1.168 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.168 -0.073 -9.576 1.00 0.00 H new ATOM 1851 N ALA A 119 3.821 2.377 -10.442 1.00 0.00 N ATOM 1852 CA ALA A 119 4.060 3.759 -10.046 1.00 0.00 C ATOM 1853 C ALA A 119 4.734 4.542 -11.168 1.00 0.00 C ATOM 1854 O ALA A 119 4.344 5.670 -11.471 1.00 0.00 O ATOM 1855 CB ALA A 119 4.908 3.807 -8.784 1.00 0.00 C ATOM 0 H ALA A 119 4.495 1.709 -10.068 1.00 0.00 H new ATOM 0 HA ALA A 119 3.096 4.224 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.079 4.845 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.389 3.290 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.865 3.320 -8.970 1.00 0.00 H new ATOM 1861 N ARG A 120 5.747 3.938 -11.780 1.00 0.00 N ATOM 1862 CA ARG A 120 6.476 4.580 -12.867 1.00 0.00 C ATOM 1863 C ARG A 120 5.520 5.317 -13.801 1.00 0.00 C ATOM 1864 O ARG A 120 4.485 4.782 -14.196 1.00 0.00 O ATOM 1865 CB ARG A 120 7.277 3.543 -13.655 1.00 0.00 C ATOM 1866 CG ARG A 120 8.676 3.310 -13.109 1.00 0.00 C ATOM 1867 CD ARG A 120 9.254 1.992 -13.600 1.00 0.00 C ATOM 1868 NE ARG A 120 9.872 2.122 -14.917 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.669 1.203 -15.449 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.944 0.091 -14.780 1.00 0.00 N ATOM 1871 NH2 ARG A 120 11.193 1.393 -16.653 1.00 0.00 N ATOM 0 H ARG A 120 6.082 3.004 -11.541 1.00 0.00 H new ATOM 0 HA ARG A 120 7.163 5.305 -12.432 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.733 2.598 -13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.351 3.866 -14.693 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.327 4.130 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.647 3.312 -12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.995 1.633 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.463 1.243 -13.643 1.00 0.00 H new ATOM 0 HE ARG A 120 9.681 2.965 -15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.543 -0.060 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.557 -0.613 -15.191 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.984 2.246 -17.171 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.805 0.686 -17.060 1.00 0.00 H new