USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 59 THR OG1 : rot -130:sc= 0.251 USER MOD Set 1.2: A 74 LYS NZ :NH3+ 147:sc= 0.255 (180deg=-0.189) USER MOD Set 2.1: A 28 SER OG : rot 180:sc=-0.00483 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 THR OG1 : rot 104:sc= 1.23 USER MOD Set 3.2: A 13 THR OG1 : rot 30:sc= 1.51 USER MOD Single : A 0 PHE N :NH3+ 145:sc= 0.314 (180deg=0.0239) USER MOD Single : A 1 MET CE :methyl 179:sc= -0.362 (180deg=-0.371) USER MOD Single : A 6 TYR OH : rot -13:sc= 0.113 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0087) USER MOD Single : A 10 ASN : amide:sc= -0.243 K(o=-0.24,f=-9.5!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0851 K(o=-0.085,f=-0.88) USER MOD Single : A 24 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.86) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 82:sc= 0.949 USER MOD Single : A 33 GLN : amide:sc= -0.0834 K(o=-0.083,f=-0.62) USER MOD Single : A 43 SER OG : rot -33:sc= 0.273 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -124:sc= -0.878 (180deg=-2.81!) USER MOD Single : A 49 CYS SG : rot -35:sc= -0.14 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.12) USER MOD Single : A 61 MET CE :methyl 169:sc= -0.66 (180deg=-0.919) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 70 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.26) USER MOD Single : A 72 TYR OH : rot 30:sc= 0.984 USER MOD Single : A 73 MET CE :methyl -140:sc= -1.12 (180deg=-4.13!) USER MOD Single : A 77 ASN : amide:sc= -1.07 K(o=-1.1,f=-11!) USER MOD Single : A 82 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.67) USER MOD Single : A 90 SER OG : rot -94:sc= 1.21 USER MOD Single : A 91 SER OG : rot 130:sc= -0.158 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= -0.0672 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.354 9.706 5.218 1.00 0.00 N ATOM 91 CA PHE A 0 -5.934 10.011 5.128 1.00 0.00 C ATOM 92 C PHE A 0 -5.118 9.012 5.934 1.00 0.00 C ATOM 93 O PHE A 0 -5.247 8.929 7.157 1.00 0.00 O ATOM 94 CB PHE A 0 -5.648 11.429 5.632 1.00 0.00 C ATOM 95 CG PHE A 0 -6.311 12.506 4.818 1.00 0.00 C ATOM 96 CD1 PHE A 0 -5.725 12.967 3.649 1.00 0.00 C ATOM 97 CD2 PHE A 0 -7.517 13.055 5.221 1.00 0.00 C ATOM 98 CE1 PHE A 0 -6.331 13.955 2.898 1.00 0.00 C ATOM 99 CE2 PHE A 0 -8.128 14.045 4.472 1.00 0.00 C ATOM 100 CZ PHE A 0 -7.532 14.495 3.309 1.00 0.00 C ATOM 0 H1 PHE A 0 -7.900 10.591 5.219 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.637 9.126 4.403 1.00 0.00 H new ATOM 0 H3 PHE A 0 -7.542 9.183 6.097 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.646 9.943 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -5.981 11.511 6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -4.571 11.595 5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.784 12.549 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -7.985 12.707 6.130 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -5.865 14.305 1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -9.069 14.465 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 0 -8.006 15.268 2.723 1.00 0.00 H new ATOM 110 N MET A 1 -4.234 8.303 5.255 1.00 0.00 N ATOM 111 CA MET A 1 -3.397 7.304 5.903 1.00 0.00 C ATOM 112 C MET A 1 -1.952 7.491 5.483 1.00 0.00 C ATOM 113 O MET A 1 -1.669 7.745 4.313 1.00 0.00 O ATOM 114 CB MET A 1 -3.873 5.891 5.551 1.00 0.00 C ATOM 115 CG MET A 1 -3.018 4.789 6.163 1.00 0.00 C ATOM 116 SD MET A 1 -2.892 4.918 7.957 1.00 0.00 S ATOM 117 CE MET A 1 -1.742 3.593 8.316 1.00 0.00 C ATOM 0 H MET A 1 -4.075 8.400 4.252 1.00 0.00 H new ATOM 0 HA MET A 1 -3.473 7.432 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.903 5.769 5.887 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.876 5.777 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.442 3.819 5.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.019 4.827 5.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.550 3.558 9.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.169 2.643 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.806 3.770 7.786 1.00 0.00 H new ATOM 127 N GLU A 2 -1.045 7.358 6.435 1.00 0.00 N ATOM 128 CA GLU A 2 0.364 7.607 6.189 1.00 0.00 C ATOM 129 C GLU A 2 1.225 6.642 6.995 1.00 0.00 C ATOM 130 O GLU A 2 0.820 6.183 8.064 1.00 0.00 O ATOM 131 CB GLU A 2 0.694 9.058 6.550 1.00 0.00 C ATOM 132 CG GLU A 2 0.378 9.409 7.996 1.00 0.00 C ATOM 133 CD GLU A 2 0.255 10.898 8.220 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.296 11.588 8.283 1.00 0.00 O ATOM 135 OE2 GLU A 2 -0.887 11.388 8.338 1.00 0.00 O ATOM 0 H GLU A 2 -1.262 7.077 7.391 1.00 0.00 H new ATOM 0 HA GLU A 2 0.579 7.445 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.752 9.239 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.136 9.724 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.553 8.923 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.161 9.012 8.642 1.00 0.00 H new ATOM 142 N GLY A 3 2.394 6.318 6.468 1.00 0.00 N ATOM 143 CA GLY A 3 3.308 5.434 7.163 1.00 0.00 C ATOM 144 C GLY A 3 4.273 4.774 6.207 1.00 0.00 C ATOM 145 O GLY A 3 4.312 5.126 5.030 1.00 0.00 O ATOM 0 H GLY A 3 2.729 6.653 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.864 5.999 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.742 4.670 7.696 1.00 0.00 H new ATOM 149 N VAL A 4 5.059 3.824 6.692 1.00 0.00 N ATOM 150 CA VAL A 4 6.002 3.136 5.827 1.00 0.00 C ATOM 151 C VAL A 4 5.646 1.657 5.720 1.00 0.00 C ATOM 152 O VAL A 4 4.989 1.096 6.601 1.00 0.00 O ATOM 153 CB VAL A 4 7.477 3.285 6.298 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.703 4.610 7.012 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.904 2.113 7.167 1.00 0.00 C ATOM 0 H VAL A 4 5.063 3.516 7.665 1.00 0.00 H new ATOM 0 HA VAL A 4 5.924 3.609 4.848 1.00 0.00 H new ATOM 0 HB VAL A 4 8.104 3.280 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.744 4.680 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.473 5.432 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.054 4.668 7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.940 2.249 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.264 2.061 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.815 1.187 6.599 1.00 0.00 H new ATOM 165 N LEU A 5 6.073 1.048 4.630 1.00 0.00 N ATOM 166 CA LEU A 5 5.849 -0.367 4.380 1.00 0.00 C ATOM 167 C LEU A 5 7.136 -0.979 3.866 1.00 0.00 C ATOM 168 O LEU A 5 8.027 -0.265 3.398 1.00 0.00 O ATOM 169 CB LEU A 5 4.746 -0.604 3.328 1.00 0.00 C ATOM 170 CG LEU A 5 3.293 -0.349 3.755 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.947 -1.098 5.039 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.018 1.137 3.891 1.00 0.00 C ATOM 0 H LEU A 5 6.588 1.522 3.888 1.00 0.00 H new ATOM 0 HA LEU A 5 5.531 -0.825 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.960 0.030 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.821 -1.637 2.989 1.00 0.00 H new ATOM 0 HG LEU A 5 2.645 -0.737 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.911 -0.894 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.077 -2.169 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.605 -0.767 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.982 1.289 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.682 1.563 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.192 1.628 2.934 1.00 0.00 H new ATOM 184 N TYR A 6 7.237 -2.290 3.973 1.00 0.00 N ATOM 185 CA TYR A 6 8.339 -3.022 3.380 1.00 0.00 C ATOM 186 C TYR A 6 8.172 -3.093 1.869 1.00 0.00 C ATOM 187 O TYR A 6 7.197 -3.640 1.360 1.00 0.00 O ATOM 188 CB TYR A 6 8.442 -4.420 4.009 1.00 0.00 C ATOM 189 CG TYR A 6 8.749 -5.555 3.044 1.00 0.00 C ATOM 190 CD1 TYR A 6 10.037 -5.768 2.571 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.745 -6.414 2.611 1.00 0.00 C ATOM 192 CE1 TYR A 6 10.315 -6.801 1.693 1.00 0.00 C ATOM 193 CE2 TYR A 6 8.015 -7.447 1.735 1.00 0.00 C ATOM 194 CZ TYR A 6 9.301 -7.636 1.278 1.00 0.00 C ATOM 195 OH TYR A 6 9.576 -8.666 0.409 1.00 0.00 O ATOM 0 H TYR A 6 6.563 -2.873 4.469 1.00 0.00 H new ATOM 0 HA TYR A 6 9.272 -2.497 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.218 -4.398 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.502 -4.641 4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.836 -5.116 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.735 -6.271 2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.323 -6.952 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.222 -8.104 1.410 1.00 0.00 H new ATOM 0 HH TYR A 6 10.470 -8.542 0.027 1.00 0.00 H new ATOM 205 N LYS A 7 9.116 -2.500 1.166 1.00 0.00 N ATOM 206 CA LYS A 7 9.120 -2.529 -0.286 1.00 0.00 C ATOM 207 C LYS A 7 10.305 -3.358 -0.770 1.00 0.00 C ATOM 208 O LYS A 7 11.465 -3.010 -0.524 1.00 0.00 O ATOM 209 CB LYS A 7 9.161 -1.089 -0.842 1.00 0.00 C ATOM 210 CG LYS A 7 9.061 -0.976 -2.365 1.00 0.00 C ATOM 211 CD LYS A 7 10.421 -1.133 -3.031 1.00 0.00 C ATOM 212 CE LYS A 7 10.338 -1.080 -4.552 1.00 0.00 C ATOM 213 NZ LYS A 7 9.909 0.252 -5.064 1.00 0.00 N ATOM 0 H LYS A 7 9.896 -1.988 1.579 1.00 0.00 H new ATOM 0 HA LYS A 7 8.206 -2.996 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.344 -0.521 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.089 -0.618 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.380 -1.739 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.635 -0.009 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.087 -0.345 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.863 -2.082 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.312 -1.329 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.638 -1.840 -4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.919 0.244 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.946 0.459 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.561 0.984 -4.717 1.00 0.00 H new ATOM 227 N TRP A 8 10.003 -4.466 -1.433 1.00 0.00 N ATOM 228 CA TRP A 8 11.033 -5.342 -1.971 1.00 0.00 C ATOM 229 C TRP A 8 11.723 -4.674 -3.153 1.00 0.00 C ATOM 230 O TRP A 8 11.067 -4.192 -4.078 1.00 0.00 O ATOM 231 CB TRP A 8 10.437 -6.692 -2.393 1.00 0.00 C ATOM 232 CG TRP A 8 11.463 -7.650 -2.938 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.707 -7.934 -4.253 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.390 -8.439 -2.181 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.726 -8.852 -4.356 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.162 -9.176 -3.097 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.640 -8.592 -0.812 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.169 -10.051 -2.686 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.637 -9.460 -0.408 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.391 -10.179 -1.341 1.00 0.00 C ATOM 0 H TRP A 8 9.049 -4.780 -1.611 1.00 0.00 H new ATOM 0 HA TRP A 8 11.770 -5.527 -1.190 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.944 -7.148 -1.535 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.670 -6.523 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.177 -7.501 -5.089 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.097 -9.230 -5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.063 -8.041 -0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.753 -10.608 -3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.837 -9.585 0.646 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.164 -10.849 -0.994 1.00 0.00 H new ATOM 251 N THR A 9 13.044 -4.629 -3.102 1.00 0.00 N ATOM 252 CA THR A 9 13.828 -3.995 -4.148 1.00 0.00 C ATOM 253 C THR A 9 14.673 -5.015 -4.899 1.00 0.00 C ATOM 254 O THR A 9 14.502 -5.217 -6.101 1.00 0.00 O ATOM 255 CB THR A 9 14.742 -2.904 -3.560 1.00 0.00 C ATOM 256 OG1 THR A 9 15.311 -3.357 -2.318 1.00 0.00 O ATOM 257 CG2 THR A 9 13.967 -1.616 -3.330 1.00 0.00 C ATOM 0 H THR A 9 13.598 -5.026 -2.343 1.00 0.00 H new ATOM 0 HA THR A 9 13.128 -3.538 -4.847 1.00 0.00 H new ATOM 0 HB THR A 9 15.541 -2.705 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.247 -3.612 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.633 -0.860 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.562 -1.261 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.150 -1.802 -2.633 1.00 0.00 H new ATOM 265 N ASN A 10 15.589 -5.642 -4.181 1.00 0.00 N ATOM 266 CA ASN A 10 16.461 -6.661 -4.745 1.00 0.00 C ATOM 267 C ASN A 10 16.969 -7.516 -3.598 1.00 0.00 C ATOM 268 O ASN A 10 16.949 -7.082 -2.453 1.00 0.00 O ATOM 269 CB ASN A 10 17.628 -5.994 -5.490 1.00 0.00 C ATOM 270 CG ASN A 10 18.355 -6.921 -6.450 1.00 0.00 C ATOM 271 OD1 ASN A 10 18.534 -8.107 -6.188 1.00 0.00 O ATOM 272 ND2 ASN A 10 18.767 -6.381 -7.585 1.00 0.00 N ATOM 0 H ASN A 10 15.750 -5.460 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 10 15.923 -7.282 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.249 -5.136 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.341 -5.611 -4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 10 19.251 -6.954 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.601 -5.392 -7.769 1.00 0.00 H new ATOM 279 N TYR A 11 17.418 -8.725 -3.893 1.00 0.00 N ATOM 280 CA TYR A 11 17.866 -9.637 -2.849 1.00 0.00 C ATOM 281 C TYR A 11 19.236 -9.209 -2.329 1.00 0.00 C ATOM 282 O TYR A 11 19.680 -9.658 -1.276 1.00 0.00 O ATOM 283 CB TYR A 11 17.902 -11.086 -3.357 1.00 0.00 C ATOM 284 CG TYR A 11 18.850 -11.328 -4.510 1.00 0.00 C ATOM 285 CD1 TYR A 11 20.173 -11.686 -4.283 1.00 0.00 C ATOM 286 CD2 TYR A 11 18.421 -11.211 -5.826 1.00 0.00 C ATOM 287 CE1 TYR A 11 21.040 -11.913 -5.330 1.00 0.00 C ATOM 288 CE2 TYR A 11 19.282 -11.438 -6.879 1.00 0.00 C ATOM 289 CZ TYR A 11 20.591 -11.789 -6.626 1.00 0.00 C ATOM 290 OH TYR A 11 21.454 -12.020 -7.671 1.00 0.00 O ATOM 0 H TYR A 11 17.483 -9.098 -4.840 1.00 0.00 H new ATOM 0 HA TYR A 11 17.152 -9.594 -2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.182 -11.739 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.897 -11.374 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.528 -11.788 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 11 17.396 -10.938 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.066 -12.187 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.933 -11.341 -7.896 1.00 0.00 H new ATOM 0 HH TYR A 11 20.981 -11.892 -8.520 1.00 0.00 H new ATOM 300 N LEU A 12 19.905 -8.350 -3.095 1.00 0.00 N ATOM 301 CA LEU A 12 21.173 -7.767 -2.674 1.00 0.00 C ATOM 302 C LEU A 12 20.943 -6.718 -1.594 1.00 0.00 C ATOM 303 O LEU A 12 21.689 -6.640 -0.615 1.00 0.00 O ATOM 304 CB LEU A 12 21.890 -7.135 -3.869 1.00 0.00 C ATOM 305 CG LEU A 12 22.271 -8.112 -4.987 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.879 -7.369 -6.169 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.237 -9.166 -4.467 1.00 0.00 C ATOM 0 H LEU A 12 19.587 -8.042 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 12 21.798 -8.561 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.250 -6.358 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.795 -6.644 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 12 21.364 -8.611 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.142 -8.082 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.156 -6.653 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.775 -6.840 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.497 -9.851 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.141 -8.681 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.767 -9.722 -3.656 1.00 0.00 H new ATOM 319 N THR A 13 19.904 -5.918 -1.783 1.00 0.00 N ATOM 320 CA THR A 13 19.544 -4.877 -0.839 1.00 0.00 C ATOM 321 C THR A 13 18.700 -5.430 0.299 1.00 0.00 C ATOM 322 O THR A 13 18.885 -5.069 1.462 1.00 0.00 O ATOM 323 CB THR A 13 18.771 -3.755 -1.555 1.00 0.00 C ATOM 324 OG1 THR A 13 17.867 -4.324 -2.512 1.00 0.00 O ATOM 325 CG2 THR A 13 19.719 -2.801 -2.253 1.00 0.00 C ATOM 0 H THR A 13 19.289 -5.974 -2.595 1.00 0.00 H new ATOM 0 HA THR A 13 20.466 -4.475 -0.420 1.00 0.00 H new ATOM 0 HB THR A 13 18.210 -3.195 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.580 -5.209 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.146 -2.018 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.388 -2.351 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.306 -3.347 -2.992 1.00 0.00 H new ATOM 333 N GLY A 14 17.789 -6.322 -0.044 1.00 0.00 N ATOM 334 CA GLY A 14 16.883 -6.870 0.930 1.00 0.00 C ATOM 335 C GLY A 14 15.548 -6.164 0.889 1.00 0.00 C ATOM 336 O GLY A 14 14.792 -6.301 -0.076 1.00 0.00 O ATOM 0 H GLY A 14 17.662 -6.678 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.741 -7.934 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.316 -6.778 1.926 1.00 0.00 H new ATOM 340 N TRP A 15 15.277 -5.373 1.908 1.00 0.00 N ATOM 341 CA TRP A 15 14.010 -4.679 2.003 1.00 0.00 C ATOM 342 C TRP A 15 14.250 -3.188 2.228 1.00 0.00 C ATOM 343 O TRP A 15 15.271 -2.800 2.798 1.00 0.00 O ATOM 344 CB TRP A 15 13.176 -5.276 3.144 1.00 0.00 C ATOM 345 CG TRP A 15 13.466 -4.682 4.490 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.544 -4.924 5.295 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.645 -3.743 5.186 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.448 -4.172 6.443 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.286 -3.442 6.400 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.429 -3.127 4.890 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.747 -2.542 7.316 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.893 -2.239 5.795 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.550 -1.953 6.998 1.00 0.00 C ATOM 0 H TRP A 15 15.918 -5.195 2.682 1.00 0.00 H new ATOM 0 HA TRP A 15 13.458 -4.801 1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.119 -5.138 2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.355 -6.350 3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.351 -5.604 5.064 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.129 -4.159 7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.916 -3.343 3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.253 -2.316 8.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.953 -1.756 5.574 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.105 -1.254 7.690 1.00 0.00 H new ATOM 364 N GLN A 16 13.326 -2.359 1.764 1.00 0.00 N ATOM 365 CA GLN A 16 13.419 -0.923 1.981 1.00 0.00 C ATOM 366 C GLN A 16 12.100 -0.376 2.507 1.00 0.00 C ATOM 367 O GLN A 16 11.057 -0.552 1.879 1.00 0.00 O ATOM 368 CB GLN A 16 13.793 -0.204 0.679 1.00 0.00 C ATOM 369 CG GLN A 16 15.238 -0.407 0.250 1.00 0.00 C ATOM 370 CD GLN A 16 16.225 0.279 1.176 1.00 0.00 C ATOM 371 OE1 GLN A 16 15.918 1.304 1.782 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.419 -0.279 1.286 1.00 0.00 N ATOM 0 H GLN A 16 12.505 -2.655 1.236 1.00 0.00 H new ATOM 0 HA GLN A 16 14.198 -0.743 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.136 -0.553 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.608 0.863 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.457 -1.474 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.369 -0.025 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.634 -1.130 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.125 0.141 1.891 1.00 0.00 H new ATOM 381 N PRO A 17 12.126 0.269 3.679 1.00 0.00 N ATOM 382 CA PRO A 17 10.969 0.995 4.201 1.00 0.00 C ATOM 383 C PRO A 17 10.704 2.264 3.404 1.00 0.00 C ATOM 384 O PRO A 17 11.524 3.183 3.385 1.00 0.00 O ATOM 385 CB PRO A 17 11.379 1.343 5.630 1.00 0.00 C ATOM 386 CG PRO A 17 12.866 1.377 5.594 1.00 0.00 C ATOM 387 CD PRO A 17 13.266 0.310 4.617 1.00 0.00 C ATOM 0 HA PRO A 17 10.051 0.409 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.968 2.304 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.016 0.599 6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.229 2.355 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.287 1.184 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.198 0.558 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.418 -0.651 5.109 1.00 0.00 H new ATOM 395 N ARG A 18 9.567 2.312 2.742 1.00 0.00 N ATOM 396 CA ARG A 18 9.211 3.472 1.943 1.00 0.00 C ATOM 397 C ARG A 18 7.944 4.111 2.473 1.00 0.00 C ATOM 398 O ARG A 18 7.160 3.463 3.161 1.00 0.00 O ATOM 399 CB ARG A 18 9.053 3.095 0.469 1.00 0.00 C ATOM 400 CG ARG A 18 10.383 2.941 -0.249 1.00 0.00 C ATOM 401 CD ARG A 18 11.201 4.218 -0.148 1.00 0.00 C ATOM 402 NE ARG A 18 12.470 4.125 -0.865 1.00 0.00 N ATOM 403 CZ ARG A 18 13.372 5.103 -0.907 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.174 6.227 -0.227 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.475 4.954 -1.625 1.00 0.00 N ATOM 0 H ARG A 18 8.873 1.564 2.739 1.00 0.00 H new ATOM 0 HA ARG A 18 10.021 4.198 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.496 2.161 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.461 3.859 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.941 2.111 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.210 2.697 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.621 5.050 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.395 4.440 0.901 1.00 0.00 H new ATOM 0 HE ARG A 18 12.677 3.259 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.328 6.343 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.868 6.973 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.632 4.091 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.167 5.703 -1.658 1.00 0.00 H new ATOM 419 N TRP A 19 7.744 5.375 2.137 1.00 0.00 N ATOM 420 CA TRP A 19 6.643 6.144 2.686 1.00 0.00 C ATOM 421 C TRP A 19 5.446 6.082 1.753 1.00 0.00 C ATOM 422 O TRP A 19 5.516 6.516 0.604 1.00 0.00 O ATOM 423 CB TRP A 19 7.081 7.598 2.902 1.00 0.00 C ATOM 424 CG TRP A 19 6.091 8.427 3.664 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.155 9.275 3.146 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.950 8.494 5.088 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.434 9.856 4.161 1.00 0.00 N ATOM 428 CE2 TRP A 19 4.902 9.392 5.361 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.606 7.879 6.159 1.00 0.00 C ATOM 430 CZ2 TRP A 19 4.492 9.684 6.660 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.199 8.172 7.446 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.151 9.067 7.688 1.00 0.00 C ATOM 0 H TRP A 19 8.334 5.891 1.484 1.00 0.00 H new ATOM 0 HA TRP A 19 6.354 5.719 3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.032 7.605 3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.257 8.062 1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.004 9.462 2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.673 10.525 4.040 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.416 7.187 5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.682 10.373 6.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.698 7.702 8.280 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.857 9.275 8.706 1.00 0.00 H new ATOM 443 N PHE A 20 4.360 5.522 2.250 1.00 0.00 N ATOM 444 CA PHE A 20 3.145 5.378 1.471 1.00 0.00 C ATOM 445 C PHE A 20 2.027 6.202 2.095 1.00 0.00 C ATOM 446 O PHE A 20 1.939 6.316 3.317 1.00 0.00 O ATOM 447 CB PHE A 20 2.711 3.909 1.395 1.00 0.00 C ATOM 448 CG PHE A 20 3.668 3.011 0.657 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.793 2.501 1.284 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.431 2.668 -0.663 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.666 1.669 0.606 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.298 1.836 -1.344 1.00 0.00 C ATOM 453 CZ PHE A 20 5.416 1.336 -0.710 1.00 0.00 C ATOM 0 H PHE A 20 4.295 5.156 3.200 1.00 0.00 H new ATOM 0 HA PHE A 20 3.347 5.735 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.584 3.528 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.736 3.856 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.991 2.756 2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.558 3.056 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.541 1.281 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.100 1.577 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.094 0.685 -1.242 1.00 0.00 H new ATOM 463 N VAL A 21 1.182 6.777 1.257 1.00 0.00 N ATOM 464 CA VAL A 21 0.030 7.532 1.732 1.00 0.00 C ATOM 465 C VAL A 21 -1.221 7.128 0.961 1.00 0.00 C ATOM 466 O VAL A 21 -1.177 6.934 -0.259 1.00 0.00 O ATOM 467 CB VAL A 21 0.228 9.068 1.633 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.388 9.529 2.504 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.446 9.507 0.197 1.00 0.00 C ATOM 0 H VAL A 21 1.270 6.737 0.242 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.085 7.289 2.788 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.687 9.535 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.503 10.609 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.188 9.270 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.305 9.038 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.581 10.588 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.334 9.018 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.421 9.231 -0.403 1.00 0.00 H new ATOM 479 N LEU A 22 -2.321 6.963 1.678 1.00 0.00 N ATOM 480 CA LEU A 22 -3.590 6.624 1.056 1.00 0.00 C ATOM 481 C LEU A 22 -4.439 7.884 0.985 1.00 0.00 C ATOM 482 O LEU A 22 -4.725 8.507 2.008 1.00 0.00 O ATOM 483 CB LEU A 22 -4.302 5.521 1.865 1.00 0.00 C ATOM 484 CG LEU A 22 -5.493 4.813 1.186 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.726 5.705 1.139 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.126 4.360 -0.219 1.00 0.00 C ATOM 0 H LEU A 22 -2.360 7.059 2.693 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.427 6.239 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.563 4.764 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.656 5.960 2.798 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.731 3.937 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.543 5.171 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.020 5.973 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.499 6.610 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.982 3.864 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.845 5.226 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.288 3.665 -0.170 1.00 0.00 H new ATOM 498 N ASP A 23 -4.815 8.261 -0.226 1.00 0.00 N ATOM 499 CA ASP A 23 -5.571 9.488 -0.441 1.00 0.00 C ATOM 500 C ASP A 23 -6.646 9.294 -1.501 1.00 0.00 C ATOM 501 O ASP A 23 -6.342 9.094 -2.676 1.00 0.00 O ATOM 502 CB ASP A 23 -4.629 10.626 -0.850 1.00 0.00 C ATOM 503 CG ASP A 23 -5.369 11.922 -1.137 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.809 12.588 -0.181 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.498 12.291 -2.328 1.00 0.00 O ATOM 0 H ASP A 23 -4.610 7.736 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.062 9.749 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.903 10.795 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.068 10.328 -1.736 1.00 0.00 H new ATOM 510 N ASN A 24 -7.900 9.303 -1.053 1.00 0.00 N ATOM 511 CA ASN A 24 -9.073 9.310 -1.938 1.00 0.00 C ATOM 512 C ASN A 24 -9.001 8.212 -3.011 1.00 0.00 C ATOM 513 O ASN A 24 -9.111 8.482 -4.208 1.00 0.00 O ATOM 514 CB ASN A 24 -9.225 10.688 -2.599 1.00 0.00 C ATOM 515 CG ASN A 24 -10.571 10.865 -3.278 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.586 10.339 -2.822 1.00 0.00 O ATOM 517 ND2 ASN A 24 -10.591 11.607 -4.373 1.00 0.00 N ATOM 0 H ASN A 24 -8.137 9.306 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.947 9.101 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.098 11.465 -1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.431 10.824 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.469 11.759 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.729 12.027 -4.720 1.00 0.00 H new ATOM 524 N GLY A 25 -8.792 6.973 -2.579 1.00 0.00 N ATOM 525 CA GLY A 25 -8.786 5.854 -3.510 1.00 0.00 C ATOM 526 C GLY A 25 -7.456 5.672 -4.216 1.00 0.00 C ATOM 527 O GLY A 25 -7.285 4.733 -4.993 1.00 0.00 O ATOM 0 H GLY A 25 -8.627 6.722 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.032 4.939 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.568 6.005 -4.255 1.00 0.00 H new ATOM 531 N ILE A 26 -6.517 6.567 -3.967 1.00 0.00 N ATOM 532 CA ILE A 26 -5.205 6.459 -4.574 1.00 0.00 C ATOM 533 C ILE A 26 -4.156 6.146 -3.518 1.00 0.00 C ATOM 534 O ILE A 26 -4.111 6.776 -2.464 1.00 0.00 O ATOM 535 CB ILE A 26 -4.804 7.748 -5.329 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.859 8.105 -6.384 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.435 7.580 -5.980 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.168 6.978 -7.349 1.00 0.00 C ATOM 0 H ILE A 26 -6.638 7.372 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.256 5.646 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.747 8.565 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.779 8.400 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.514 8.971 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.168 8.496 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.690 7.373 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.468 6.751 -6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.922 7.307 -8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.260 6.697 -7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.544 6.118 -6.795 1.00 0.00 H new ATOM 550 N LEU A 27 -3.335 5.154 -3.800 1.00 0.00 N ATOM 551 CA LEU A 27 -2.234 4.801 -2.930 1.00 0.00 C ATOM 552 C LEU A 27 -0.940 5.259 -3.594 1.00 0.00 C ATOM 553 O LEU A 27 -0.532 4.720 -4.620 1.00 0.00 O ATOM 554 CB LEU A 27 -2.243 3.279 -2.672 1.00 0.00 C ATOM 555 CG LEU A 27 -1.345 2.769 -1.533 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.123 2.808 -1.925 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.583 3.575 -0.262 1.00 0.00 C ATOM 0 H LEU A 27 -3.413 4.573 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.325 5.293 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.268 2.975 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.946 2.776 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.610 1.729 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.730 2.441 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.283 2.178 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.410 3.833 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.939 3.200 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.355 4.624 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.626 3.478 0.040 1.00 0.00 H new ATOM 569 N SER A 28 -0.308 6.267 -3.027 1.00 0.00 N ATOM 570 CA SER A 28 0.890 6.827 -3.625 1.00 0.00 C ATOM 571 C SER A 28 2.095 6.644 -2.714 1.00 0.00 C ATOM 572 O SER A 28 2.004 6.858 -1.503 1.00 0.00 O ATOM 573 CB SER A 28 0.672 8.306 -3.953 1.00 0.00 C ATOM 574 OG SER A 28 -0.009 8.971 -2.903 1.00 0.00 O ATOM 0 H SER A 28 -0.601 6.714 -2.158 1.00 0.00 H new ATOM 0 HA SER A 28 1.095 6.291 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.634 8.788 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.098 8.395 -4.876 1.00 0.00 H new ATOM 0 HG SER A 28 -0.133 9.914 -3.139 1.00 0.00 H new ATOM 580 N TYR A 29 3.213 6.229 -3.296 1.00 0.00 N ATOM 581 CA TYR A 29 4.439 6.039 -2.540 1.00 0.00 C ATOM 582 C TYR A 29 5.412 7.180 -2.810 1.00 0.00 C ATOM 583 O TYR A 29 5.423 7.758 -3.902 1.00 0.00 O ATOM 584 CB TYR A 29 5.093 4.692 -2.878 1.00 0.00 C ATOM 585 CG TYR A 29 5.513 4.532 -4.326 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.610 4.097 -5.287 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.817 4.804 -4.726 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.991 3.940 -6.606 1.00 0.00 C ATOM 589 CE2 TYR A 29 7.207 4.646 -6.043 1.00 0.00 C ATOM 590 CZ TYR A 29 6.290 4.216 -6.979 1.00 0.00 C ATOM 591 OH TYR A 29 6.673 4.055 -8.291 1.00 0.00 O ATOM 0 H TYR A 29 3.294 6.018 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 29 4.184 6.037 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.970 4.561 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.396 3.893 -2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.593 3.878 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.537 5.144 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.275 3.603 -7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.224 4.858 -6.337 1.00 0.00 H new ATOM 0 HH TYR A 29 7.619 4.293 -8.387 1.00 0.00 H new ATOM 601 N TYR A 30 6.210 7.508 -1.809 1.00 0.00 N ATOM 602 CA TYR A 30 7.189 8.575 -1.919 1.00 0.00 C ATOM 603 C TYR A 30 8.511 8.148 -1.300 1.00 0.00 C ATOM 604 O TYR A 30 8.591 7.106 -0.643 1.00 0.00 O ATOM 605 CB TYR A 30 6.678 9.840 -1.224 1.00 0.00 C ATOM 606 CG TYR A 30 5.399 10.385 -1.815 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.423 11.153 -2.968 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.170 10.127 -1.225 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.260 11.653 -3.517 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.001 10.622 -1.768 1.00 0.00 C ATOM 611 CZ TYR A 30 3.050 11.384 -2.914 1.00 0.00 C ATOM 612 OH TYR A 30 1.884 11.882 -3.454 1.00 0.00 O ATOM 0 H TYR A 30 6.198 7.044 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 30 7.346 8.789 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.516 9.623 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.449 10.609 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.369 11.364 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.127 9.529 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.298 12.252 -4.415 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.052 10.413 -1.296 1.00 0.00 H new ATOM 0 HH TYR A 30 1.122 11.598 -2.906 1.00 0.00 H new ATOM 622 N ASP A 31 9.544 8.945 -1.513 1.00 0.00 N ATOM 623 CA ASP A 31 10.842 8.671 -0.909 1.00 0.00 C ATOM 624 C ASP A 31 10.798 8.954 0.585 1.00 0.00 C ATOM 625 O ASP A 31 11.321 8.185 1.392 1.00 0.00 O ATOM 626 CB ASP A 31 11.920 9.540 -1.566 1.00 0.00 C ATOM 627 CG ASP A 31 13.266 9.420 -0.879 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.510 10.154 0.102 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.084 8.583 -1.319 1.00 0.00 O ATOM 0 H ASP A 31 9.513 9.782 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 31 11.083 7.619 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.024 9.254 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.600 10.582 -1.551 1.00 0.00 H new ATOM 634 N SER A 32 10.117 10.037 0.936 1.00 0.00 N ATOM 635 CA SER A 32 9.997 10.487 2.316 1.00 0.00 C ATOM 636 C SER A 32 8.819 11.454 2.418 1.00 0.00 C ATOM 637 O SER A 32 8.131 11.684 1.422 1.00 0.00 O ATOM 638 CB SER A 32 11.285 11.191 2.775 1.00 0.00 C ATOM 639 OG SER A 32 12.426 10.353 2.652 1.00 0.00 O ATOM 0 H SER A 32 9.629 10.632 0.266 1.00 0.00 H new ATOM 0 HA SER A 32 9.833 9.623 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.434 12.094 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.176 11.504 3.813 1.00 0.00 H new ATOM 0 HG SER A 32 12.749 10.374 1.727 1.00 0.00 H new ATOM 645 N GLN A 33 8.597 12.037 3.591 1.00 0.00 N ATOM 646 CA GLN A 33 7.524 13.013 3.751 1.00 0.00 C ATOM 647 C GLN A 33 7.798 14.244 2.887 1.00 0.00 C ATOM 648 O GLN A 33 6.893 14.795 2.263 1.00 0.00 O ATOM 649 CB GLN A 33 7.369 13.418 5.214 1.00 0.00 C ATOM 650 CG GLN A 33 6.261 14.430 5.434 1.00 0.00 C ATOM 651 CD GLN A 33 4.897 13.912 5.023 1.00 0.00 C ATOM 652 OE1 GLN A 33 4.611 12.720 5.128 1.00 0.00 O ATOM 653 NE2 GLN A 33 4.053 14.800 4.527 1.00 0.00 N ATOM 0 H GLN A 33 9.138 11.854 4.436 1.00 0.00 H new ATOM 0 HA GLN A 33 6.592 12.552 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.166 12.529 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.311 13.835 5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.235 14.710 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.485 15.335 4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.327 15.780 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.128 14.505 4.215 1.00 0.00 H new ATOM 662 N ASP A 34 9.061 14.652 2.838 1.00 0.00 N ATOM 663 CA ASP A 34 9.486 15.776 2.005 1.00 0.00 C ATOM 664 C ASP A 34 9.149 15.543 0.534 1.00 0.00 C ATOM 665 O ASP A 34 8.836 16.478 -0.210 1.00 0.00 O ATOM 666 CB ASP A 34 10.989 15.993 2.158 1.00 0.00 C ATOM 667 CG ASP A 34 11.533 17.002 1.170 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.411 18.217 1.426 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.086 16.586 0.130 1.00 0.00 O ATOM 0 H ASP A 34 9.816 14.218 3.369 1.00 0.00 H new ATOM 0 HA ASP A 34 8.947 16.663 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.203 16.331 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.506 15.043 2.023 1.00 0.00 H new ATOM 674 N ASP A 35 9.198 14.285 0.130 1.00 0.00 N ATOM 675 CA ASP A 35 8.948 13.904 -1.254 1.00 0.00 C ATOM 676 C ASP A 35 7.446 13.901 -1.540 1.00 0.00 C ATOM 677 O ASP A 35 7.017 13.950 -2.691 1.00 0.00 O ATOM 678 CB ASP A 35 9.564 12.527 -1.517 1.00 0.00 C ATOM 679 CG ASP A 35 9.464 12.082 -2.963 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.974 12.795 -3.852 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.917 10.992 -3.210 1.00 0.00 O ATOM 0 H ASP A 35 9.411 13.501 0.747 1.00 0.00 H new ATOM 0 HA ASP A 35 9.411 14.629 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.614 12.546 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.069 11.790 -0.884 1.00 0.00 H new ATOM 686 N VAL A 36 6.652 13.891 -0.475 1.00 0.00 N ATOM 687 CA VAL A 36 5.196 13.924 -0.592 1.00 0.00 C ATOM 688 C VAL A 36 4.743 15.272 -1.139 1.00 0.00 C ATOM 689 O VAL A 36 3.838 15.353 -1.972 1.00 0.00 O ATOM 690 CB VAL A 36 4.508 13.681 0.770 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.998 13.805 0.642 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.895 12.325 1.344 1.00 0.00 C ATOM 0 H VAL A 36 6.994 13.860 0.486 1.00 0.00 H new ATOM 0 HA VAL A 36 4.908 13.125 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 36 4.854 14.448 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.535 13.630 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.743 14.806 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.632 13.068 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.397 12.180 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.591 11.538 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.975 12.285 1.487 1.00 0.00 H new ATOM 782 N SER A 43 1.546 6.819 -9.051 1.00 0.00 N ATOM 783 CA SER A 43 0.663 6.410 -7.974 1.00 0.00 C ATOM 784 C SER A 43 -0.047 5.106 -8.322 1.00 0.00 C ATOM 785 O SER A 43 -0.079 4.698 -9.481 1.00 0.00 O ATOM 786 CB SER A 43 -0.362 7.510 -7.707 1.00 0.00 C ATOM 787 OG SER A 43 -0.941 7.965 -8.921 1.00 0.00 O ATOM 0 HA SER A 43 1.259 6.244 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.142 7.134 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.117 8.343 -7.193 1.00 0.00 H new ATOM 0 HG SER A 43 -0.279 7.908 -9.641 1.00 0.00 H new ATOM 793 N ILE A 44 -0.629 4.471 -7.318 1.00 0.00 N ATOM 794 CA ILE A 44 -1.374 3.243 -7.520 1.00 0.00 C ATOM 795 C ILE A 44 -2.859 3.492 -7.290 1.00 0.00 C ATOM 796 O ILE A 44 -3.276 3.923 -6.219 1.00 0.00 O ATOM 797 CB ILE A 44 -0.893 2.122 -6.568 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.588 1.807 -6.812 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.743 0.873 -6.748 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.171 0.805 -5.833 1.00 0.00 C ATOM 0 H ILE A 44 -0.598 4.790 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.203 2.919 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.004 2.469 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.706 1.422 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.161 2.733 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.392 0.094 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.784 1.106 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.662 0.523 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.221 0.634 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.087 1.196 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.625 -0.135 -5.906 1.00 0.00 H new ATOM 812 N LYS A 45 -3.648 3.237 -8.312 1.00 0.00 N ATOM 813 CA LYS A 45 -5.085 3.414 -8.224 1.00 0.00 C ATOM 814 C LYS A 45 -5.717 2.206 -7.543 1.00 0.00 C ATOM 815 O LYS A 45 -5.705 1.106 -8.089 1.00 0.00 O ATOM 816 CB LYS A 45 -5.675 3.613 -9.625 1.00 0.00 C ATOM 817 CG LYS A 45 -7.162 3.304 -9.708 1.00 0.00 C ATOM 818 CD LYS A 45 -7.686 3.398 -11.129 1.00 0.00 C ATOM 819 CE LYS A 45 -7.853 4.833 -11.578 1.00 0.00 C ATOM 820 NZ LYS A 45 -9.132 5.423 -11.113 1.00 0.00 N ATOM 0 H LYS A 45 -3.318 2.905 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.301 4.301 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.508 4.644 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.140 2.976 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.346 2.302 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.712 3.998 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.000 2.885 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.644 2.883 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.022 5.429 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.809 4.878 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.202 6.406 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.927 4.872 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.165 5.405 -10.074 1.00 0.00 H new ATOM 834 N MET A 46 -6.260 2.417 -6.347 1.00 0.00 N ATOM 835 CA MET A 46 -6.916 1.342 -5.608 1.00 0.00 C ATOM 836 C MET A 46 -8.140 0.855 -6.357 1.00 0.00 C ATOM 837 O MET A 46 -8.524 -0.291 -6.241 1.00 0.00 O ATOM 838 CB MET A 46 -7.327 1.793 -4.209 1.00 0.00 C ATOM 839 CG MET A 46 -6.153 2.013 -3.269 1.00 0.00 C ATOM 840 SD MET A 46 -5.099 0.561 -3.109 1.00 0.00 S ATOM 841 CE MET A 46 -6.262 -0.601 -2.415 1.00 0.00 C ATOM 0 H MET A 46 -6.259 3.319 -5.870 1.00 0.00 H new ATOM 0 HA MET A 46 -6.197 0.528 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.896 2.719 -4.288 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.992 1.046 -3.777 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.556 2.850 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.530 2.292 -2.285 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.868 -0.994 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.211 -0.098 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.418 -1.422 -3.115 1.00 0.00 H new ATOM 851 N ALA A 47 -8.730 1.735 -7.153 1.00 0.00 N ATOM 852 CA ALA A 47 -9.933 1.406 -7.908 1.00 0.00 C ATOM 853 C ALA A 47 -9.667 0.343 -8.978 1.00 0.00 C ATOM 854 O ALA A 47 -10.598 -0.263 -9.508 1.00 0.00 O ATOM 855 CB ALA A 47 -10.509 2.664 -8.538 1.00 0.00 C ATOM 0 H ALA A 47 -8.394 2.688 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.659 0.986 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.408 2.411 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.760 3.380 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.772 3.104 -9.210 1.00 0.00 H new ATOM 861 N VAL A 48 -8.398 0.126 -9.295 1.00 0.00 N ATOM 862 CA VAL A 48 -8.014 -0.851 -10.306 1.00 0.00 C ATOM 863 C VAL A 48 -7.006 -1.846 -9.726 1.00 0.00 C ATOM 864 O VAL A 48 -6.542 -2.763 -10.403 1.00 0.00 O ATOM 865 CB VAL A 48 -7.420 -0.148 -11.548 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.039 0.413 -11.254 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.381 -1.079 -12.746 1.00 0.00 C ATOM 0 H VAL A 48 -7.613 0.616 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.907 -1.395 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.077 0.686 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.647 0.901 -12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.106 1.138 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.372 -0.398 -10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.958 -0.553 -13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.764 -1.947 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.393 -1.407 -12.985 1.00 0.00 H new ATOM 877 N CYS A 49 -6.684 -1.659 -8.458 1.00 0.00 N ATOM 878 CA CYS A 49 -5.692 -2.478 -7.793 1.00 0.00 C ATOM 879 C CYS A 49 -6.303 -3.153 -6.579 1.00 0.00 C ATOM 880 O CYS A 49 -6.974 -2.515 -5.774 1.00 0.00 O ATOM 881 CB CYS A 49 -4.492 -1.625 -7.373 1.00 0.00 C ATOM 882 SG CYS A 49 -3.237 -2.513 -6.421 1.00 0.00 S ATOM 0 H CYS A 49 -7.100 -0.940 -7.866 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.349 -3.244 -8.488 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.026 -1.211 -8.267 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.850 -0.783 -6.781 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.813 -3.399 -5.664 1.00 0.00 H new ATOM 888 N GLU A 50 -6.057 -4.439 -6.445 1.00 0.00 N ATOM 889 CA GLU A 50 -6.571 -5.183 -5.321 1.00 0.00 C ATOM 890 C GLU A 50 -5.604 -5.118 -4.167 1.00 0.00 C ATOM 891 O GLU A 50 -4.384 -5.062 -4.345 1.00 0.00 O ATOM 892 CB GLU A 50 -6.826 -6.639 -5.694 1.00 0.00 C ATOM 893 CG GLU A 50 -8.293 -7.030 -5.710 1.00 0.00 C ATOM 894 CD GLU A 50 -8.868 -7.177 -4.315 1.00 0.00 C ATOM 895 OE1 GLU A 50 -8.764 -6.226 -3.523 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.414 -8.264 -4.007 1.00 0.00 O ATOM 0 H GLU A 50 -5.504 -4.989 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.518 -4.731 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.400 -6.830 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.298 -7.281 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.861 -6.277 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.410 -7.970 -6.249 1.00 0.00 H new ATOM 903 N ILE A 51 -6.170 -5.125 -2.994 1.00 0.00 N ATOM 904 CA ILE A 51 -5.412 -5.112 -1.761 1.00 0.00 C ATOM 905 C ILE A 51 -5.739 -6.370 -0.990 1.00 0.00 C ATOM 906 O ILE A 51 -6.873 -6.589 -0.566 1.00 0.00 O ATOM 907 CB ILE A 51 -5.699 -3.848 -0.912 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.166 -3.991 0.524 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.189 -3.533 -0.898 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.654 -4.063 0.630 1.00 0.00 C ATOM 0 H ILE A 51 -7.181 -5.140 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.348 -5.083 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.170 -3.017 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.519 -3.146 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.592 -4.891 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.367 -2.642 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.533 -3.357 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.735 -4.374 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.367 -4.163 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.291 -4.925 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.217 -3.153 0.219 1.00 0.00 H new ATOM 922 N LYS A 52 -4.745 -7.209 -0.829 1.00 0.00 N ATOM 923 CA LYS A 52 -4.979 -8.531 -0.294 1.00 0.00 C ATOM 924 C LYS A 52 -4.974 -8.483 1.226 1.00 0.00 C ATOM 925 O LYS A 52 -3.937 -8.292 1.862 1.00 0.00 O ATOM 926 CB LYS A 52 -3.941 -9.503 -0.861 1.00 0.00 C ATOM 927 CG LYS A 52 -3.860 -9.475 -2.394 1.00 0.00 C ATOM 928 CD LYS A 52 -5.051 -10.155 -3.073 1.00 0.00 C ATOM 929 CE LYS A 52 -6.345 -9.370 -2.919 1.00 0.00 C ATOM 930 NZ LYS A 52 -7.491 -10.056 -3.567 1.00 0.00 N ATOM 0 H LYS A 52 -3.773 -7.004 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.962 -8.894 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.962 -9.261 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.184 -10.514 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.801 -8.440 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.940 -9.966 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.834 -10.284 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.184 -11.151 -2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.559 -9.228 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.222 -8.379 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.369 -9.542 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.345 -10.079 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.563 -11.029 -3.206 1.00 0.00 H new ATOM 944 N VAL A 53 -6.166 -8.648 1.784 1.00 0.00 N ATOM 945 CA VAL A 53 -6.413 -8.459 3.203 1.00 0.00 C ATOM 946 C VAL A 53 -7.245 -9.615 3.758 1.00 0.00 C ATOM 947 O VAL A 53 -8.035 -10.211 3.026 1.00 0.00 O ATOM 948 CB VAL A 53 -7.125 -7.096 3.442 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.710 -6.997 4.843 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.143 -5.962 3.198 1.00 0.00 C ATOM 0 H VAL A 53 -6.996 -8.920 1.257 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.459 -8.447 3.731 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.956 -7.021 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.197 -6.030 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.440 -7.793 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.912 -7.097 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.641 -5.007 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.300 -6.057 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.782 -6.008 2.170 1.00 0.00 H new ATOM 1025 N THR A 59 0.678 -8.565 9.353 1.00 0.00 N ATOM 1026 CA THR A 59 1.635 -7.619 8.743 1.00 0.00 C ATOM 1027 C THR A 59 1.743 -7.803 7.229 1.00 0.00 C ATOM 1028 O THR A 59 2.427 -7.036 6.559 1.00 0.00 O ATOM 1029 CB THR A 59 3.069 -7.674 9.343 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.778 -8.835 8.900 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.041 -7.660 10.856 1.00 0.00 C ATOM 0 HA THR A 59 1.212 -6.642 8.978 1.00 0.00 H new ATOM 0 HB THR A 59 3.586 -6.782 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.168 -9.295 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.061 -7.700 11.239 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.558 -6.746 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.484 -8.524 11.218 1.00 0.00 H new ATOM 1039 N ARG A 60 1.047 -8.793 6.693 1.00 0.00 N ATOM 1040 CA ARG A 60 1.232 -9.187 5.304 1.00 0.00 C ATOM 1041 C ARG A 60 0.046 -8.764 4.446 1.00 0.00 C ATOM 1042 O ARG A 60 -1.096 -9.168 4.695 1.00 0.00 O ATOM 1043 CB ARG A 60 1.411 -10.704 5.235 1.00 0.00 C ATOM 1044 CG ARG A 60 2.379 -11.235 6.280 1.00 0.00 C ATOM 1045 CD ARG A 60 3.829 -11.057 5.857 1.00 0.00 C ATOM 1046 NE ARG A 60 4.192 -11.960 4.765 1.00 0.00 N ATOM 1047 CZ ARG A 60 5.193 -12.838 4.824 1.00 0.00 C ATOM 1048 NH1 ARG A 60 5.995 -12.873 5.876 1.00 0.00 N ATOM 1049 NH2 ARG A 60 5.406 -13.677 3.823 1.00 0.00 N ATOM 0 H ARG A 60 0.349 -9.339 7.198 1.00 0.00 H new ATOM 0 HA ARG A 60 2.119 -8.688 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.442 -11.185 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.770 -10.977 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.211 -10.719 7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.180 -12.292 6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.992 -10.025 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.482 -11.239 6.711 1.00 0.00 H new ATOM 0 HE ARG A 60 3.645 -11.915 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.850 -12.225 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.759 -13.548 5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.803 -13.654 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.174 -14.347 3.874 1.00 0.00 H new ATOM 1063 N MET A 61 0.316 -7.916 3.465 1.00 0.00 N ATOM 1064 CA MET A 61 -0.681 -7.526 2.476 1.00 0.00 C ATOM 1065 C MET A 61 -0.034 -7.488 1.095 1.00 0.00 C ATOM 1066 O MET A 61 1.183 -7.355 0.979 1.00 0.00 O ATOM 1067 CB MET A 61 -1.288 -6.152 2.804 1.00 0.00 C ATOM 1068 CG MET A 61 -1.650 -5.977 4.267 1.00 0.00 C ATOM 1069 SD MET A 61 -0.347 -5.173 5.225 1.00 0.00 S ATOM 1070 CE MET A 61 -0.658 -3.455 4.830 1.00 0.00 C ATOM 0 H MET A 61 1.228 -7.480 3.331 1.00 0.00 H new ATOM 0 HA MET A 61 -1.486 -8.261 2.491 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.579 -5.374 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.182 -6.006 2.198 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.564 -5.388 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.863 -6.953 4.702 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.069 -2.818 5.490 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.377 -3.263 3.794 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.717 -3.237 4.965 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.834 -7.627 0.051 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.317 -7.546 -1.307 1.00 0.00 C ATOM 1082 C GLU A 62 -1.151 -6.582 -2.135 1.00 0.00 C ATOM 1083 O GLU A 62 -2.376 -6.564 -2.030 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.298 -8.930 -1.966 1.00 0.00 C ATOM 1085 CG GLU A 62 0.008 -8.887 -3.456 1.00 0.00 C ATOM 1086 CD GLU A 62 0.146 -10.265 -4.072 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.857 -11.014 -4.110 1.00 0.00 O ATOM 1088 OE2 GLU A 62 1.257 -10.605 -4.533 1.00 0.00 O ATOM 0 H GLU A 62 -1.838 -7.795 0.115 1.00 0.00 H new ATOM 0 HA GLU A 62 0.706 -7.174 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.446 -9.551 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.265 -9.409 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.786 -8.344 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.931 -8.329 -3.616 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.485 -5.769 -2.937 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.170 -4.879 -3.858 1.00 0.00 C ATOM 1097 C LEU A 63 -1.014 -5.425 -5.268 1.00 0.00 C ATOM 1098 O LEU A 63 0.103 -5.584 -5.769 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.590 -3.459 -3.780 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.109 -2.563 -2.643 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.535 -2.107 -2.919 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.024 -3.274 -1.297 1.00 0.00 C ATOM 0 H LEU A 63 0.533 -5.707 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.225 -4.826 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.493 -3.538 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.790 -2.957 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.470 -1.681 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.880 -1.475 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.562 -1.542 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.185 -2.978 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.398 -2.615 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.627 -4.182 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.014 -3.534 -1.088 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.127 -5.711 -5.908 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.103 -6.278 -7.242 1.00 0.00 C ATOM 1116 C ILE A 64 -2.887 -5.402 -8.220 1.00 0.00 C ATOM 1117 O ILE A 64 -4.103 -5.249 -8.113 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.632 -7.747 -7.230 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.176 -8.177 -8.600 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.679 -7.952 -6.143 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.113 -8.325 -9.665 1.00 0.00 C ATOM 0 H ILE A 64 -3.061 -5.561 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.069 -6.306 -7.585 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.778 -8.386 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.700 -9.126 -8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.911 -7.444 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.026 -8.985 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.240 -7.735 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.521 -7.283 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.577 -8.631 -10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.604 -7.371 -9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.390 -9.080 -9.355 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.159 -4.835 -9.171 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.719 -3.986 -10.204 1.00 0.00 C ATOM 1135 C ILE A 65 -2.315 -4.545 -11.567 1.00 0.00 C ATOM 1136 O ILE A 65 -1.128 -4.605 -11.893 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.241 -2.511 -10.022 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.217 -1.735 -11.342 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.861 -2.470 -9.381 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.540 -1.664 -12.070 1.00 0.00 C ATOM 0 H ILE A 65 -1.149 -4.956 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.807 -3.978 -10.132 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.965 -2.028 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.875 -0.719 -11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.481 -2.195 -12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.545 -1.433 -9.263 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.899 -2.952 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.149 -2.996 -10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.418 -1.094 -12.991 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.878 -2.672 -12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.279 -1.174 -11.435 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.305 -4.987 -12.363 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.067 -5.656 -13.650 1.00 0.00 C ATOM 1154 C PRO A 66 -2.168 -4.849 -14.580 1.00 0.00 C ATOM 1155 O PRO A 66 -2.485 -3.715 -14.946 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.470 -5.786 -14.249 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.382 -5.779 -13.073 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.747 -4.851 -12.078 1.00 0.00 C ATOM 0 HA PRO A 66 -2.551 -6.607 -13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.690 -4.961 -14.926 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.572 -6.706 -14.824 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.378 -5.434 -13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.495 -6.781 -12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.089 -3.824 -12.210 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.984 -5.136 -11.053 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.035 -5.433 -14.941 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.108 -4.771 -15.832 1.00 0.00 C ATOM 1168 C GLY A 67 1.199 -4.442 -15.145 1.00 0.00 C ATOM 1169 O GLY A 67 2.272 -4.802 -15.630 1.00 0.00 O ATOM 0 H GLY A 67 -0.741 -6.359 -14.630 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.086 -5.410 -16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.560 -3.854 -16.210 1.00 0.00 H new ATOM 1173 N GLU A 68 1.108 -3.761 -14.010 1.00 0.00 N ATOM 1174 CA GLU A 68 2.293 -3.387 -13.249 1.00 0.00 C ATOM 1175 C GLU A 68 2.519 -4.381 -12.114 1.00 0.00 C ATOM 1176 O GLU A 68 3.449 -5.189 -12.172 1.00 0.00 O ATOM 1177 CB GLU A 68 2.142 -1.962 -12.708 1.00 0.00 C ATOM 1178 CG GLU A 68 1.819 -0.950 -13.796 1.00 0.00 C ATOM 1179 CD GLU A 68 1.911 0.483 -13.321 1.00 0.00 C ATOM 1180 OE1 GLU A 68 3.037 1.029 -13.289 1.00 0.00 O ATOM 1181 OE2 GLU A 68 0.862 1.081 -13.006 1.00 0.00 O ATOM 0 H GLU A 68 0.227 -3.457 -13.596 1.00 0.00 H new ATOM 0 HA GLU A 68 3.164 -3.412 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.353 -1.945 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.065 -1.669 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.503 -1.094 -14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.813 -1.138 -14.171 1.00 0.00 H new ATOM 1188 N GLN A 69 1.643 -4.311 -11.108 1.00 0.00 N ATOM 1189 CA GLN A 69 1.596 -5.251 -9.976 1.00 0.00 C ATOM 1190 C GLN A 69 2.975 -5.558 -9.370 1.00 0.00 C ATOM 1191 O GLN A 69 3.927 -4.794 -9.533 1.00 0.00 O ATOM 1192 CB GLN A 69 0.871 -6.545 -10.385 1.00 0.00 C ATOM 1193 CG GLN A 69 1.558 -7.358 -11.470 1.00 0.00 C ATOM 1194 CD GLN A 69 0.705 -8.511 -11.954 1.00 0.00 C ATOM 1195 OE1 GLN A 69 -0.083 -8.366 -12.888 1.00 0.00 O ATOM 1196 NE2 GLN A 69 0.853 -9.664 -11.319 1.00 0.00 N ATOM 0 H GLN A 69 0.929 -3.584 -11.053 1.00 0.00 H new ATOM 0 HA GLN A 69 1.032 -4.755 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.756 -7.173 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.132 -6.288 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.796 -6.708 -12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.503 -7.744 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.518 -9.741 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.302 -10.475 -11.600 1.00 0.00 H new ATOM 1205 N HIS A 70 3.044 -6.664 -8.623 1.00 0.00 N ATOM 1206 CA HIS A 70 4.270 -7.095 -7.952 1.00 0.00 C ATOM 1207 C HIS A 70 4.621 -6.123 -6.823 1.00 0.00 C ATOM 1208 O HIS A 70 5.788 -5.800 -6.590 1.00 0.00 O ATOM 1209 CB HIS A 70 5.429 -7.228 -8.951 1.00 0.00 C ATOM 1210 CG HIS A 70 6.638 -7.928 -8.397 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.853 -7.300 -8.214 1.00 0.00 N ATOM 1212 CD2 HIS A 70 6.819 -9.212 -7.999 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.727 -8.165 -7.732 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.125 -9.329 -7.591 1.00 0.00 N ATOM 0 H HIS A 70 2.250 -7.285 -8.468 1.00 0.00 H new ATOM 0 HA HIS A 70 4.100 -8.080 -7.518 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.078 -7.771 -9.828 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.721 -6.233 -9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.076 -9.995 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.759 -7.954 -7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.560 -10.181 -7.236 1.00 0.00 H new ATOM 1223 N PHE A 71 3.594 -5.656 -6.128 1.00 0.00 N ATOM 1224 CA PHE A 71 3.782 -4.774 -4.987 1.00 0.00 C ATOM 1225 C PHE A 71 3.394 -5.504 -3.713 1.00 0.00 C ATOM 1226 O PHE A 71 2.223 -5.812 -3.496 1.00 0.00 O ATOM 1227 CB PHE A 71 2.934 -3.502 -5.126 1.00 0.00 C ATOM 1228 CG PHE A 71 3.253 -2.681 -6.340 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.418 -1.937 -6.402 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.383 -2.651 -7.417 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.712 -1.178 -7.518 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.670 -1.893 -8.535 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.837 -1.156 -8.585 1.00 0.00 C ATOM 0 H PHE A 71 2.620 -5.874 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 71 4.832 -4.484 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.881 -3.782 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.074 -2.886 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.105 -1.950 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.470 -3.227 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.625 -0.603 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.983 -1.877 -9.368 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.065 -0.563 -9.458 1.00 0.00 H new ATOM 1243 N TYR A 72 4.376 -5.787 -2.876 1.00 0.00 N ATOM 1244 CA TYR A 72 4.112 -6.466 -1.624 1.00 0.00 C ATOM 1245 C TYR A 72 4.150 -5.456 -0.490 1.00 0.00 C ATOM 1246 O TYR A 72 4.960 -4.531 -0.505 1.00 0.00 O ATOM 1247 CB TYR A 72 5.128 -7.588 -1.388 1.00 0.00 C ATOM 1248 CG TYR A 72 4.637 -8.657 -0.430 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.885 -9.728 -0.894 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.920 -8.596 0.929 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.429 -10.708 -0.033 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.467 -9.574 1.797 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.721 -10.627 1.310 1.00 0.00 C ATOM 1254 OH TYR A 72 3.269 -11.606 2.169 1.00 0.00 O ATOM 0 H TYR A 72 5.356 -5.558 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 72 3.123 -6.922 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.373 -8.052 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.050 -7.157 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.652 -9.796 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.503 -7.772 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.846 -11.534 -0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.696 -9.513 2.851 1.00 0.00 H new ATOM 0 HH TYR A 72 3.203 -12.458 1.689 1.00 0.00 H new ATOM 1264 N MET A 73 3.277 -5.637 0.483 1.00 0.00 N ATOM 1265 CA MET A 73 3.154 -4.696 1.581 1.00 0.00 C ATOM 1266 C MET A 73 3.413 -5.407 2.902 1.00 0.00 C ATOM 1267 O MET A 73 2.921 -6.514 3.127 1.00 0.00 O ATOM 1268 CB MET A 73 1.737 -4.116 1.602 1.00 0.00 C ATOM 1269 CG MET A 73 1.659 -2.615 1.820 1.00 0.00 C ATOM 1270 SD MET A 73 1.975 -1.665 0.321 1.00 0.00 S ATOM 1271 CE MET A 73 1.435 -0.036 0.842 1.00 0.00 C ATOM 0 H MET A 73 2.639 -6.431 0.535 1.00 0.00 H new ATOM 0 HA MET A 73 3.882 -3.896 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.249 -4.356 0.658 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.170 -4.612 2.390 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.671 -2.360 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.381 -2.327 2.584 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.900 0.448 0.025 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.774 -0.130 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.303 0.565 1.114 1.00 0.00 H new ATOM 1281 N LYS A 74 4.174 -4.776 3.776 1.00 0.00 N ATOM 1282 CA LYS A 74 4.354 -5.286 5.123 1.00 0.00 C ATOM 1283 C LYS A 74 4.526 -4.143 6.103 1.00 0.00 C ATOM 1284 O LYS A 74 5.415 -3.304 5.954 1.00 0.00 O ATOM 1285 CB LYS A 74 5.537 -6.256 5.221 1.00 0.00 C ATOM 1286 CG LYS A 74 5.970 -6.510 6.658 1.00 0.00 C ATOM 1287 CD LYS A 74 7.067 -7.552 6.763 1.00 0.00 C ATOM 1288 CE LYS A 74 7.663 -7.578 8.164 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.618 -7.655 9.222 1.00 0.00 N ATOM 0 H LYS A 74 4.677 -3.911 3.578 1.00 0.00 H new ATOM 0 HA LYS A 74 3.454 -5.845 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.265 -7.203 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.379 -5.854 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.318 -5.576 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.108 -6.836 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.665 -8.535 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.849 -7.336 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.333 -8.433 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.266 -6.683 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.980 -8.204 10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.373 -6.695 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.770 -8.120 8.839 1.00 0.00 H new ATOM 1303 N ALA A 75 3.648 -4.110 7.087 1.00 0.00 N ATOM 1304 CA ALA A 75 3.690 -3.100 8.117 1.00 0.00 C ATOM 1305 C ALA A 75 4.605 -3.526 9.261 1.00 0.00 C ATOM 1306 O ALA A 75 5.091 -4.662 9.282 1.00 0.00 O ATOM 1307 CB ALA A 75 2.287 -2.839 8.627 1.00 0.00 C ATOM 0 H ALA A 75 2.889 -4.783 7.191 1.00 0.00 H new ATOM 0 HA ALA A 75 4.094 -2.181 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.319 -2.076 9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.660 -2.494 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.872 -3.759 9.038 1.00 0.00 H new ATOM 1313 N VAL A 76 4.821 -2.619 10.208 1.00 0.00 N ATOM 1314 CA VAL A 76 5.687 -2.879 11.356 1.00 0.00 C ATOM 1315 C VAL A 76 5.234 -4.125 12.113 1.00 0.00 C ATOM 1316 O VAL A 76 5.992 -5.081 12.268 1.00 0.00 O ATOM 1317 CB VAL A 76 5.697 -1.674 12.324 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.582 -1.947 13.528 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.149 -0.413 11.609 1.00 0.00 C ATOM 0 H VAL A 76 4.404 -1.688 10.203 1.00 0.00 H new ATOM 0 HA VAL A 76 6.694 -3.040 10.972 1.00 0.00 H new ATOM 0 HB VAL A 76 4.678 -1.524 12.679 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.570 -1.083 14.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.209 -2.820 14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.603 -2.134 13.194 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.148 0.422 12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.156 -0.558 11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.467 -0.197 10.786 1.00 0.00 H new ATOM 1329 N ASN A 77 3.990 -4.114 12.560 1.00 0.00 N ATOM 1330 CA ASN A 77 3.434 -5.240 13.284 1.00 0.00 C ATOM 1331 C ASN A 77 1.997 -5.484 12.850 1.00 0.00 C ATOM 1332 O ASN A 77 1.487 -4.770 11.981 1.00 0.00 O ATOM 1333 CB ASN A 77 3.531 -5.041 14.806 1.00 0.00 C ATOM 1334 CG ASN A 77 2.856 -3.776 15.314 1.00 0.00 C ATOM 1335 OD1 ASN A 77 1.866 -3.308 14.756 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.393 -3.219 16.388 1.00 0.00 N ATOM 0 H ASN A 77 3.345 -3.334 12.433 1.00 0.00 H new ATOM 0 HA ASN A 77 4.024 -6.124 13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.084 -5.902 15.303 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.583 -5.018 15.092 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.985 -2.371 16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.215 -3.638 16.823 1.00 0.00 H new ATOM 1343 N ALA A 78 1.360 -6.497 13.420 1.00 0.00 N ATOM 1344 CA ALA A 78 0.016 -6.893 13.007 1.00 0.00 C ATOM 1345 C ALA A 78 -0.966 -5.724 13.140 1.00 0.00 C ATOM 1346 O ALA A 78 -1.839 -5.529 12.291 1.00 0.00 O ATOM 1347 CB ALA A 78 -0.461 -8.068 13.841 1.00 0.00 C ATOM 0 H ALA A 78 1.752 -7.063 14.173 1.00 0.00 H new ATOM 0 HA ALA A 78 0.056 -7.189 11.959 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.464 -8.355 13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.217 -8.910 13.705 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.480 -7.784 14.893 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.806 -4.953 14.211 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.633 -3.779 14.459 1.00 0.00 C ATOM 1355 C ALA A 79 -1.441 -2.724 13.376 1.00 0.00 C ATOM 1356 O ALA A 79 -2.407 -2.153 12.871 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.297 -3.207 15.817 1.00 0.00 C ATOM 0 H ALA A 79 -0.102 -5.124 14.929 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.680 -4.082 14.439 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.914 -2.329 16.005 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.489 -3.956 16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.245 -2.923 15.842 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.186 -2.485 13.013 1.00 0.00 N ATOM 1364 CA GLU A 80 0.143 -1.537 11.957 1.00 0.00 C ATOM 1365 C GLU A 80 -0.474 -1.973 10.635 1.00 0.00 C ATOM 1366 O GLU A 80 -0.935 -1.151 9.842 1.00 0.00 O ATOM 1367 CB GLU A 80 1.655 -1.406 11.823 1.00 0.00 C ATOM 1368 CG GLU A 80 2.286 -0.709 13.006 1.00 0.00 C ATOM 1369 CD GLU A 80 1.685 0.653 13.249 1.00 0.00 C ATOM 1370 OE1 GLU A 80 2.065 1.611 12.549 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.815 0.759 14.133 1.00 0.00 O ATOM 0 H GLU A 80 0.624 -2.938 13.437 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.270 -0.564 12.221 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.094 -2.398 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.889 -0.853 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.161 -1.324 13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.358 -0.607 12.837 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.485 -3.282 10.414 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.140 -3.860 9.255 1.00 0.00 C ATOM 1380 C ARG A 81 -2.609 -3.464 9.239 1.00 0.00 C ATOM 1381 O ARG A 81 -3.137 -3.041 8.214 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.020 -5.381 9.291 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.735 -6.073 8.148 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.139 -7.489 8.518 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.457 -8.293 7.342 1.00 0.00 N ATOM 1386 CZ ARG A 81 -3.275 -9.345 7.354 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -3.960 -9.656 8.447 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -3.410 -10.078 6.256 1.00 0.00 N ATOM 0 H ARG A 81 -0.043 -3.965 11.030 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.656 -3.484 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.035 -5.655 9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.423 -5.747 10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.621 -5.501 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.086 -6.096 7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.330 -7.963 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.004 -7.458 9.180 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.026 -8.033 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.863 -9.088 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.583 -10.463 8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.890 -9.834 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.034 -10.885 6.255 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.245 -3.570 10.401 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.670 -3.301 10.536 1.00 0.00 C ATOM 1404 C GLN A 82 -4.984 -1.852 10.177 1.00 0.00 C ATOM 1405 O GLN A 82 -6.043 -1.562 9.633 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.139 -3.606 11.963 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.650 -3.557 12.131 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.364 -4.597 11.286 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.832 -5.678 11.027 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.562 -4.270 10.832 1.00 0.00 N ATOM 0 H GLN A 82 -2.789 -3.844 11.271 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.206 -3.951 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.782 -4.595 12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.682 -2.891 12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.901 -3.712 13.180 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.010 -2.564 11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.968 -3.365 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.080 -4.923 10.244 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.052 -0.950 10.468 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.230 0.460 10.136 1.00 0.00 C ATOM 1421 C ARG A 83 -4.329 0.654 8.622 1.00 0.00 C ATOM 1422 O ARG A 83 -5.210 1.363 8.131 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.073 1.283 10.706 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.094 1.394 12.223 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.923 2.206 12.748 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.128 2.614 14.138 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.207 3.233 14.878 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.021 3.405 14.411 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.499 3.646 16.106 1.00 0.00 N ATOM 0 H ARG A 83 -3.170 -1.168 10.931 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.162 0.805 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.130 0.832 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.104 2.284 10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.028 1.857 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.069 0.396 12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.009 1.617 12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.785 3.090 12.126 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.031 2.413 14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.266 3.063 13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.722 3.879 14.981 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.432 3.490 16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.790 4.119 16.667 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.444 -0.002 7.885 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.506 0.018 6.427 1.00 0.00 C ATOM 1445 C TRP A 84 -4.720 -0.750 5.937 1.00 0.00 C ATOM 1446 O TRP A 84 -5.340 -0.387 4.944 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.221 -0.546 5.825 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.063 0.367 6.042 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.141 0.301 7.044 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.720 1.506 5.250 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.746 1.345 6.933 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.412 2.097 5.837 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.267 2.086 4.099 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.006 3.242 5.317 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.671 3.219 3.582 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.455 3.785 4.189 1.00 0.00 C ATOM 0 H TRP A 84 -2.677 -0.553 8.269 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.604 1.053 6.099 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.007 -1.518 6.270 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.361 -0.709 4.756 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.112 -0.459 7.811 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.526 1.530 7.564 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.137 1.656 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.871 3.686 5.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.081 3.676 2.694 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.899 4.670 3.758 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.054 -1.808 6.649 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.237 -2.602 6.355 1.00 0.00 C ATOM 1469 C LEU A 85 -7.508 -1.761 6.469 1.00 0.00 C ATOM 1470 O LEU A 85 -8.483 -2.007 5.770 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.300 -3.826 7.271 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.678 -5.104 6.705 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.312 -4.831 6.089 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.568 -6.146 7.800 1.00 0.00 C ATOM 0 H LEU A 85 -4.515 -2.144 7.448 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.167 -2.951 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.799 -3.583 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.344 -4.026 7.510 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.326 -5.480 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.898 -5.760 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.416 -4.109 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.643 -4.429 6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.125 -7.055 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.939 -5.764 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.561 -6.370 8.191 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.509 -0.789 7.369 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.638 0.116 7.491 1.00 0.00 C ATOM 1488 C VAL A 86 -8.793 0.976 6.235 1.00 0.00 C ATOM 1489 O VAL A 86 -9.870 1.024 5.641 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.479 1.026 8.725 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.533 2.126 8.737 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.552 0.205 10.003 1.00 0.00 C ATOM 0 H VAL A 86 -6.745 -0.609 8.021 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.534 -0.493 7.611 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.499 1.500 8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.396 2.752 9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.432 2.736 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.526 1.678 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.438 0.863 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.517 -0.300 10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.754 -0.537 10.005 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.714 1.633 5.821 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.771 2.521 4.661 1.00 0.00 C ATOM 1504 C ALA A 87 -7.878 1.739 3.351 1.00 0.00 C ATOM 1505 O ALA A 87 -8.742 2.004 2.519 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.541 3.419 4.628 1.00 0.00 C ATOM 0 H ALA A 87 -6.798 1.570 6.265 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.668 3.132 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.594 4.076 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.505 4.020 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.643 2.804 4.564 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.994 0.769 3.184 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.940 -0.041 1.973 1.00 0.00 C ATOM 1514 C LEU A 88 -8.086 -1.050 1.918 1.00 0.00 C ATOM 1515 O LEU A 88 -8.699 -1.254 0.874 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.595 -0.764 1.895 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.371 0.159 1.884 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.109 -0.613 2.228 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.223 0.835 0.530 1.00 0.00 C ATOM 0 H LEU A 88 -6.293 0.519 3.882 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.047 0.624 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.513 -1.443 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.579 -1.377 0.994 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.521 0.928 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.254 0.063 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.209 -1.050 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.957 -1.406 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.349 1.486 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.100 0.077 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.114 1.427 0.320 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.369 -1.673 3.055 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.358 -2.737 3.107 1.00 0.00 C ATOM 1533 C GLY A 89 -10.769 -2.247 2.862 1.00 0.00 C ATOM 1534 O GLY A 89 -11.592 -2.973 2.306 1.00 0.00 O ATOM 0 H GLY A 89 -7.928 -1.459 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.108 -3.494 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.312 -3.221 4.083 1.00 0.00 H new ATOM 1538 N SER A 90 -11.056 -1.019 3.273 1.00 0.00 N ATOM 1539 CA SER A 90 -12.357 -0.424 3.015 1.00 0.00 C ATOM 1540 C SER A 90 -12.532 -0.170 1.520 1.00 0.00 C ATOM 1541 O SER A 90 -13.650 -0.146 1.007 1.00 0.00 O ATOM 1542 CB SER A 90 -12.508 0.872 3.810 1.00 0.00 C ATOM 1543 OG SER A 90 -11.446 1.768 3.540 1.00 0.00 O ATOM 0 H SER A 90 -10.408 -0.419 3.784 1.00 0.00 H new ATOM 0 HA SER A 90 -13.136 -1.116 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.458 1.345 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.534 0.646 4.876 1.00 0.00 H new ATOM 0 HG SER A 90 -10.744 1.656 4.214 1.00 0.00 H new ATOM 1549 N SER A 91 -11.412 0.005 0.828 1.00 0.00 N ATOM 1550 CA SER A 91 -11.418 0.167 -0.617 1.00 0.00 C ATOM 1551 C SER A 91 -11.802 -1.147 -1.290 1.00 0.00 C ATOM 1552 O SER A 91 -12.450 -1.150 -2.335 1.00 0.00 O ATOM 1553 CB SER A 91 -10.043 0.634 -1.111 1.00 0.00 C ATOM 1554 OG SER A 91 -10.065 0.943 -2.494 1.00 0.00 O ATOM 0 H SER A 91 -10.484 0.038 1.250 1.00 0.00 H new ATOM 0 HA SER A 91 -12.155 0.926 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.731 1.512 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.304 -0.145 -0.923 1.00 0.00 H new ATOM 0 HG SER A 91 -9.668 1.827 -2.638 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.391 -2.264 -0.687 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.707 -3.577 -1.202 1.00 0.00 C ATOM 1562 C LYS A 92 -13.211 -3.845 -1.171 1.00 0.00 C ATOM 1563 O LYS A 92 -13.713 -4.704 -1.899 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.994 -4.624 -0.365 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.652 -5.867 -1.142 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.171 -6.986 -0.232 1.00 0.00 C ATOM 1567 CE LYS A 92 -11.289 -7.499 0.664 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.430 -8.040 -0.124 1.00 0.00 N ATOM 0 H LYS A 92 -10.833 -2.274 0.167 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.376 -3.626 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.079 -4.194 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.624 -4.894 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.528 -6.201 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.879 -5.637 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.783 -7.806 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.347 -6.626 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.900 -8.278 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.641 -6.690 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.018 -8.643 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.003 -7.253 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.067 -8.603 -0.920 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.918 -3.119 -0.311 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.349 -3.300 -0.133 1.00 0.00 C ATOM 1584 C ALA A 93 -16.122 -2.913 -1.390 1.00 0.00 C ATOM 1585 O ALA A 93 -16.408 -1.737 -1.621 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.831 -2.488 1.059 1.00 0.00 C ATOM 0 H ALA A 93 -13.514 -2.392 0.279 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.536 -4.357 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.904 -2.629 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.313 -2.820 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.622 -1.432 0.888 1.00 0.00 H new