USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 906 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 116 GLN : amide:sc= 0 X(o=-0.086,f=-0.086) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.8!) USER MOD Set 2.1: A 90 THR OG1 : rot -80:sc= -1.8! USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.262 USER MOD Set 2.3: A 96 GLN : amide:sc= -0.524! C(o=-2.6!,f=-5.1!) USER MOD Set 3.1: A 18 MET CE :methyl 179:sc= -1.17 (180deg=-0.849) USER MOD Set 3.2: A 39 MET CE :methyl -110:sc= -0.791 (180deg=-1.85) USER MOD Single : A 13 GLN : amide:sc=-0.000429 X(o=-0.00043,f=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 26 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.37) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 29 MET CE :methyl -155:sc= -0.0121 (180deg=-0.0728) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -10:sc= -5.42! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00846 K(o=-0.0085,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 20:sc= 0.986 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.47) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.33 K(o=0.33,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.4!) USER MOD Single : A 83 MET CE :methyl -158:sc= 0 (180deg=-0.582) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -147:sc= -0.543 (180deg=-2.74!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 101:sc= -0.0117 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 113 CYS SG : rot 117:sc= -3.11! USER MOD Single : A 119 TYR OH : rot 58:sc= 3.05 USER MOD Single : A 124 ASN : amide:sc= -8.05! C(o=-8!,f=-6.2!) USER MOD Single : A 125 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 14.942 -9.790 1.065 1.00 0.00 N ATOM 103 CA ILE A 11 15.272 -8.584 0.315 1.00 0.00 C ATOM 104 C ILE A 11 15.677 -8.921 -1.116 1.00 0.00 C ATOM 105 O ILE A 11 15.047 -8.470 -2.071 1.00 0.00 O ATOM 106 CB ILE A 11 16.413 -7.798 0.988 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.916 -7.133 2.273 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.976 -6.758 0.030 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.878 -6.111 2.836 1.00 0.00 C ATOM 0 HA ILE A 11 14.375 -7.965 0.300 1.00 0.00 H new ATOM 0 HB ILE A 11 17.210 -8.494 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 11 14.959 -6.649 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.735 -7.902 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.781 -6.211 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.363 -7.255 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.187 -6.063 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.460 -5.681 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.828 -6.593 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.040 -5.321 2.103 1.00 0.00 H new ATOM 121 N GLU A 12 16.731 -9.719 -1.255 1.00 0.00 N ATOM 122 CA GLU A 12 17.219 -10.118 -2.570 1.00 0.00 C ATOM 123 C GLU A 12 16.063 -10.536 -3.475 1.00 0.00 C ATOM 124 O GLU A 12 15.903 -10.011 -4.576 1.00 0.00 O ATOM 125 CB GLU A 12 18.221 -11.267 -2.440 1.00 0.00 C ATOM 126 CG GLU A 12 19.595 -10.825 -1.964 1.00 0.00 C ATOM 127 CD GLU A 12 20.470 -10.321 -3.095 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.393 -9.117 -3.414 1.00 0.00 O ATOM 129 OE2 GLU A 12 21.234 -11.132 -3.659 1.00 0.00 O ATOM 0 H GLU A 12 17.263 -10.102 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 12 17.718 -9.260 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.825 -12.006 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.322 -11.761 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.481 -10.037 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.091 -11.661 -1.471 1.00 0.00 H new ATOM 136 N GLN A 13 15.263 -11.485 -3.001 1.00 0.00 N ATOM 137 CA GLN A 13 14.123 -11.975 -3.768 1.00 0.00 C ATOM 138 C GLN A 13 13.167 -10.837 -4.110 1.00 0.00 C ATOM 139 O GLN A 13 12.760 -10.679 -5.261 1.00 0.00 O ATOM 140 CB GLN A 13 13.383 -13.061 -2.984 1.00 0.00 C ATOM 141 CG GLN A 13 12.871 -12.593 -1.632 1.00 0.00 C ATOM 142 CD GLN A 13 12.336 -13.731 -0.785 1.00 0.00 C ATOM 143 OE1 GLN A 13 11.136 -13.814 -0.522 1.00 0.00 O ATOM 144 NE2 GLN A 13 13.227 -14.616 -0.352 1.00 0.00 N ATOM 0 H GLN A 13 15.382 -11.930 -2.091 1.00 0.00 H new ATOM 0 HA GLN A 13 14.499 -12.401 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.542 -13.417 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.051 -13.910 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.678 -12.094 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.083 -11.855 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.212 -14.508 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.926 -15.403 0.223 1.00 0.00 H new ATOM 153 N LEU A 14 12.811 -10.048 -3.102 1.00 0.00 N ATOM 154 CA LEU A 14 11.902 -8.924 -3.296 1.00 0.00 C ATOM 155 C LEU A 14 12.384 -8.022 -4.427 1.00 0.00 C ATOM 156 O LEU A 14 11.666 -7.793 -5.402 1.00 0.00 O ATOM 157 CB LEU A 14 11.777 -8.116 -2.003 1.00 0.00 C ATOM 158 CG LEU A 14 10.679 -8.562 -1.036 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.068 -8.239 0.399 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.354 -7.905 -1.392 1.00 0.00 C ATOM 0 H LEU A 14 13.138 -10.166 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 14 10.924 -9.322 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.732 -8.156 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.600 -7.073 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 14 10.561 -9.642 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.275 -8.563 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.993 -8.758 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.215 -7.164 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.585 -8.234 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.458 -6.822 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.068 -8.188 -2.405 1.00 0.00 H new ATOM 172 N LEU A 15 13.604 -7.514 -4.294 1.00 0.00 N ATOM 173 CA LEU A 15 14.184 -6.639 -5.307 1.00 0.00 C ATOM 174 C LEU A 15 14.023 -7.238 -6.700 1.00 0.00 C ATOM 175 O LEU A 15 13.260 -6.729 -7.520 1.00 0.00 O ATOM 176 CB LEU A 15 15.665 -6.396 -5.011 1.00 0.00 C ATOM 177 CG LEU A 15 15.978 -5.655 -3.711 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.421 -5.893 -3.295 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.703 -4.167 -3.865 1.00 0.00 C ATOM 0 H LEU A 15 14.211 -7.693 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 15 13.653 -5.687 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.173 -7.360 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.092 -5.831 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 15 15.327 -6.044 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.625 -5.358 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.584 -6.960 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.089 -5.532 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.932 -3.656 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.327 -3.762 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.653 -4.015 -4.114 1.00 0.00 H new ATOM 191 N GLU A 16 14.747 -8.322 -6.960 1.00 0.00 N ATOM 192 CA GLU A 16 14.683 -8.991 -8.255 1.00 0.00 C ATOM 193 C GLU A 16 13.247 -9.043 -8.769 1.00 0.00 C ATOM 194 O GLU A 16 13.003 -8.952 -9.972 1.00 0.00 O ATOM 195 CB GLU A 16 15.251 -10.408 -8.151 1.00 0.00 C ATOM 196 CG GLU A 16 14.502 -11.293 -7.169 1.00 0.00 C ATOM 197 CD GLU A 16 14.866 -12.759 -7.311 1.00 0.00 C ATOM 198 OE1 GLU A 16 15.817 -13.201 -6.634 1.00 0.00 O ATOM 199 OE2 GLU A 16 14.199 -13.462 -8.098 1.00 0.00 O ATOM 0 H GLU A 16 15.384 -8.756 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 16 15.284 -8.418 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.228 -10.873 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.297 -10.350 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.718 -10.965 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.429 -11.172 -7.321 1.00 0.00 H new ATOM 206 N PHE A 17 12.300 -9.192 -7.849 1.00 0.00 N ATOM 207 CA PHE A 17 10.888 -9.258 -8.208 1.00 0.00 C ATOM 208 C PHE A 17 10.362 -7.881 -8.602 1.00 0.00 C ATOM 209 O PHE A 17 9.704 -7.728 -9.631 1.00 0.00 O ATOM 210 CB PHE A 17 10.069 -9.815 -7.042 1.00 0.00 C ATOM 211 CG PHE A 17 8.654 -9.311 -7.008 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.693 -9.848 -7.849 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.286 -8.300 -6.136 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.391 -9.386 -7.821 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.985 -7.834 -6.102 1.00 0.00 C ATOM 216 CZ PHE A 17 6.037 -8.378 -6.946 1.00 0.00 C ATOM 0 H PHE A 17 12.485 -9.269 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 17 10.787 -9.925 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.057 -10.903 -7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.562 -9.554 -6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.965 -10.637 -8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.024 -7.871 -5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.651 -9.813 -8.482 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.710 -7.046 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.020 -8.016 -6.922 1.00 0.00 H new ATOM 226 N MET A 18 10.656 -6.883 -7.775 1.00 0.00 N ATOM 227 CA MET A 18 10.213 -5.519 -8.037 1.00 0.00 C ATOM 228 C MET A 18 10.577 -5.092 -9.456 1.00 0.00 C ATOM 229 O MET A 18 9.864 -4.306 -10.081 1.00 0.00 O ATOM 230 CB MET A 18 10.837 -4.554 -7.027 1.00 0.00 C ATOM 231 CG MET A 18 10.151 -4.568 -5.670 1.00 0.00 C ATOM 232 SD MET A 18 11.269 -4.141 -4.322 1.00 0.00 S ATOM 233 CE MET A 18 10.983 -2.378 -4.190 1.00 0.00 C ATOM 0 H MET A 18 11.199 -6.993 -6.918 1.00 0.00 H new ATOM 0 HA MET A 18 9.128 -5.490 -7.934 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.889 -4.808 -6.896 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.801 -3.543 -7.433 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.317 -3.866 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.732 -5.558 -5.489 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.592 -1.970 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.253 -1.894 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.930 -2.195 -3.977 1.00 0.00 H new ATOM 243 N HIS A 19 11.691 -5.614 -9.959 1.00 0.00 N ATOM 244 CA HIS A 19 12.149 -5.287 -11.305 1.00 0.00 C ATOM 245 C HIS A 19 11.162 -5.794 -12.353 1.00 0.00 C ATOM 246 O HIS A 19 10.997 -5.185 -13.409 1.00 0.00 O ATOM 247 CB HIS A 19 13.532 -5.889 -11.556 1.00 0.00 C ATOM 248 CG HIS A 19 13.864 -6.040 -13.009 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.929 -4.973 -13.881 1.00 0.00 N ATOM 250 CD2 HIS A 19 14.153 -7.141 -13.741 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.242 -5.412 -15.087 1.00 0.00 C ATOM 252 NE2 HIS A 19 14.384 -6.724 -15.029 1.00 0.00 N ATOM 0 H HIS A 19 12.293 -6.265 -9.455 1.00 0.00 H new ATOM 0 HA HIS A 19 12.213 -4.202 -11.387 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.285 -5.259 -11.083 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.587 -6.866 -11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.194 -8.158 -13.380 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.361 -4.802 -15.970 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.626 -7.329 -15.814 1.00 0.00 H new ATOM 261 N GLN A 20 10.511 -6.913 -12.052 1.00 0.00 N ATOM 262 CA GLN A 20 9.542 -7.502 -12.970 1.00 0.00 C ATOM 263 C GLN A 20 8.356 -6.568 -13.183 1.00 0.00 C ATOM 264 O GLN A 20 7.875 -6.404 -14.305 1.00 0.00 O ATOM 265 CB GLN A 20 9.055 -8.850 -12.434 1.00 0.00 C ATOM 266 CG GLN A 20 10.136 -9.918 -12.402 1.00 0.00 C ATOM 267 CD GLN A 20 9.600 -11.279 -12.002 1.00 0.00 C ATOM 268 OE1 GLN A 20 8.478 -11.397 -11.510 1.00 0.00 O ATOM 269 NE2 GLN A 20 10.402 -12.316 -12.212 1.00 0.00 N ATOM 0 H GLN A 20 10.636 -7.429 -11.181 1.00 0.00 H new ATOM 0 HA GLN A 20 10.036 -7.657 -13.929 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.663 -8.711 -11.426 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.228 -9.200 -13.052 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.600 -9.989 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.916 -9.619 -11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.325 -12.172 -12.622 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.096 -13.256 -11.963 1.00 0.00 H new ATOM 278 N LEU A 21 7.889 -5.957 -12.099 1.00 0.00 N ATOM 279 CA LEU A 21 6.758 -5.038 -12.167 1.00 0.00 C ATOM 280 C LEU A 21 7.178 -3.701 -12.768 1.00 0.00 C ATOM 281 O LEU A 21 8.273 -3.196 -12.517 1.00 0.00 O ATOM 282 CB LEU A 21 6.167 -4.821 -10.773 1.00 0.00 C ATOM 283 CG LEU A 21 5.936 -6.081 -9.938 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.291 -5.728 -8.607 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.075 -7.076 -10.703 1.00 0.00 C ATOM 0 H LEU A 21 8.276 -6.081 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 21 5.999 -5.482 -12.811 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.831 -4.158 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.215 -4.301 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 21 6.902 -6.545 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.134 -6.637 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.944 -5.052 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.332 -5.241 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.920 -7.967 -10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.111 -6.622 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.576 -7.353 -11.631 1.00 0.00 H new ATOM 297 N PRO A 22 6.288 -3.110 -13.579 1.00 0.00 N ATOM 298 CA PRO A 22 6.543 -1.822 -14.230 1.00 0.00 C ATOM 299 C PRO A 22 6.555 -0.663 -13.238 1.00 0.00 C ATOM 300 O PRO A 22 7.407 0.222 -13.314 1.00 0.00 O ATOM 301 CB PRO A 22 5.371 -1.679 -15.205 1.00 0.00 C ATOM 302 CG PRO A 22 4.282 -2.504 -14.612 1.00 0.00 C ATOM 303 CD PRO A 22 4.963 -3.654 -13.922 1.00 0.00 C ATOM 0 HA PRO A 22 7.521 -1.795 -14.711 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.067 -0.637 -15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.639 -2.033 -16.200 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.690 -1.921 -13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.599 -2.861 -15.383 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.416 -3.970 -13.034 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.042 -4.524 -14.574 1.00 0.00 H new ATOM 311 N ALA A 23 5.605 -0.676 -12.309 1.00 0.00 N ATOM 312 CA ALA A 23 5.508 0.372 -11.301 1.00 0.00 C ATOM 313 C ALA A 23 6.808 0.497 -10.513 1.00 0.00 C ATOM 314 O ALA A 23 7.220 1.598 -10.146 1.00 0.00 O ATOM 315 CB ALA A 23 4.344 0.096 -10.362 1.00 0.00 C ATOM 0 H ALA A 23 4.891 -1.401 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 23 5.331 1.318 -11.812 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.284 0.887 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.416 0.065 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.497 -0.862 -9.865 1.00 0.00 H new ATOM 321 N PHE A 24 7.449 -0.638 -10.254 1.00 0.00 N ATOM 322 CA PHE A 24 8.701 -0.655 -9.507 1.00 0.00 C ATOM 323 C PHE A 24 9.893 -0.447 -10.438 1.00 0.00 C ATOM 324 O PHE A 24 10.838 0.265 -10.104 1.00 0.00 O ATOM 325 CB PHE A 24 8.853 -1.979 -8.755 1.00 0.00 C ATOM 326 CG PHE A 24 8.139 -2.002 -7.434 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.283 -0.957 -6.535 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.325 -3.069 -7.090 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.628 -0.977 -5.318 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.667 -3.094 -5.874 1.00 0.00 C ATOM 331 CZ PHE A 24 6.818 -2.046 -4.988 1.00 0.00 C ATOM 0 H PHE A 24 7.122 -1.558 -10.550 1.00 0.00 H new ATOM 0 HA PHE A 24 8.677 0.163 -8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.473 -2.788 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.913 -2.175 -8.590 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.914 -0.118 -6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.203 -3.891 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.750 -0.157 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.036 -3.932 -5.618 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.304 -2.062 -4.038 1.00 0.00 H new ATOM 341 N ALA A 25 9.838 -1.076 -11.608 1.00 0.00 N ATOM 342 CA ALA A 25 10.911 -0.959 -12.588 1.00 0.00 C ATOM 343 C ALA A 25 11.293 0.500 -12.813 1.00 0.00 C ATOM 344 O ALA A 25 12.453 0.815 -13.072 1.00 0.00 O ATOM 345 CB ALA A 25 10.499 -1.607 -13.901 1.00 0.00 C ATOM 0 H ALA A 25 9.063 -1.671 -11.900 1.00 0.00 H new ATOM 0 HA ALA A 25 11.785 -1.480 -12.197 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.310 -1.512 -14.624 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.283 -2.662 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.609 -1.111 -14.288 1.00 0.00 H new ATOM 351 N ASN A 26 10.307 1.387 -12.714 1.00 0.00 N ATOM 352 CA ASN A 26 10.540 2.813 -12.908 1.00 0.00 C ATOM 353 C ASN A 26 11.779 3.271 -12.144 1.00 0.00 C ATOM 354 O ASN A 26 12.626 3.983 -12.684 1.00 0.00 O ATOM 355 CB ASN A 26 9.321 3.617 -12.453 1.00 0.00 C ATOM 356 CG ASN A 26 8.119 3.403 -13.353 1.00 0.00 C ATOM 357 OD1 ASN A 26 7.082 2.904 -12.915 1.00 0.00 O ATOM 358 ND2 ASN A 26 8.253 3.782 -14.619 1.00 0.00 N ATOM 0 H ASN A 26 9.340 1.143 -12.501 1.00 0.00 H new ATOM 0 HA ASN A 26 10.705 2.987 -13.971 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.063 3.334 -11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.574 4.677 -12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.478 3.664 -15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.131 4.191 -14.939 1.00 0.00 H new ATOM 365 N MET A 27 11.878 2.857 -10.885 1.00 0.00 N ATOM 366 CA MET A 27 13.014 3.223 -10.048 1.00 0.00 C ATOM 367 C MET A 27 14.111 2.166 -10.127 1.00 0.00 C ATOM 368 O MET A 27 13.865 1.030 -10.535 1.00 0.00 O ATOM 369 CB MET A 27 12.567 3.403 -8.595 1.00 0.00 C ATOM 370 CG MET A 27 11.723 2.252 -8.073 1.00 0.00 C ATOM 371 SD MET A 27 9.958 2.509 -8.339 1.00 0.00 S ATOM 372 CE MET A 27 9.390 2.730 -6.655 1.00 0.00 C ATOM 0 H MET A 27 11.185 2.268 -10.422 1.00 0.00 H new ATOM 0 HA MET A 27 13.416 4.167 -10.417 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.448 3.513 -7.963 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.997 4.328 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.030 1.329 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.911 2.123 -7.007 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.313 2.900 -6.653 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.617 1.836 -6.074 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.893 3.589 -6.211 1.00 0.00 H new ATOM 382 N THR A 28 15.323 2.548 -9.736 1.00 0.00 N ATOM 383 CA THR A 28 16.458 1.633 -9.765 1.00 0.00 C ATOM 384 C THR A 28 16.534 0.811 -8.484 1.00 0.00 C ATOM 385 O THR A 28 15.779 1.044 -7.540 1.00 0.00 O ATOM 386 CB THR A 28 17.785 2.392 -9.955 1.00 0.00 C ATOM 387 OG1 THR A 28 18.864 1.462 -10.101 1.00 0.00 O ATOM 388 CG2 THR A 28 18.057 3.310 -8.773 1.00 0.00 C ATOM 0 H THR A 28 15.544 3.484 -9.396 1.00 0.00 H new ATOM 0 HA THR A 28 16.305 0.965 -10.613 1.00 0.00 H new ATOM 0 HB THR A 28 17.705 3.000 -10.856 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.704 1.952 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.999 3.835 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.248 4.035 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.119 2.718 -7.860 1.00 0.00 H new ATOM 396 N MET A 29 17.451 -0.151 -8.458 1.00 0.00 N ATOM 397 CA MET A 29 17.626 -1.007 -7.290 1.00 0.00 C ATOM 398 C MET A 29 17.767 -0.173 -6.021 1.00 0.00 C ATOM 399 O MET A 29 17.135 -0.461 -5.005 1.00 0.00 O ATOM 400 CB MET A 29 18.855 -1.901 -7.466 1.00 0.00 C ATOM 401 CG MET A 29 18.754 -3.226 -6.728 1.00 0.00 C ATOM 402 SD MET A 29 19.998 -4.416 -7.263 1.00 0.00 S ATOM 403 CE MET A 29 19.066 -5.943 -7.174 1.00 0.00 C ATOM 0 H MET A 29 18.083 -0.357 -9.231 1.00 0.00 H new ATOM 0 HA MET A 29 16.740 -1.635 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.003 -2.097 -8.528 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.737 -1.365 -7.115 1.00 0.00 H new ATOM 0 HG2 MET A 29 18.862 -3.050 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 29 17.762 -3.649 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.751 -6.780 -7.034 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.372 -5.897 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.507 -6.083 -8.099 1.00 0.00 H new ATOM 413 N SER A 30 18.601 0.860 -6.087 1.00 0.00 N ATOM 414 CA SER A 30 18.828 1.733 -4.941 1.00 0.00 C ATOM 415 C SER A 30 17.518 2.034 -4.219 1.00 0.00 C ATOM 416 O SER A 30 17.312 1.614 -3.080 1.00 0.00 O ATOM 417 CB SER A 30 19.487 3.038 -5.391 1.00 0.00 C ATOM 418 OG SER A 30 20.889 2.883 -5.520 1.00 0.00 O ATOM 0 H SER A 30 19.130 1.113 -6.921 1.00 0.00 H new ATOM 0 HA SER A 30 19.494 1.217 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.064 3.353 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.270 3.826 -4.670 1.00 0.00 H new ATOM 0 HG SER A 30 21.286 3.730 -5.810 1.00 0.00 H new ATOM 424 N VAL A 31 16.633 2.765 -4.891 1.00 0.00 N ATOM 425 CA VAL A 31 15.342 3.122 -4.315 1.00 0.00 C ATOM 426 C VAL A 31 14.647 1.900 -3.725 1.00 0.00 C ATOM 427 O VAL A 31 14.169 1.933 -2.591 1.00 0.00 O ATOM 428 CB VAL A 31 14.419 3.767 -5.366 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.002 3.892 -4.827 1.00 0.00 C ATOM 430 CG2 VAL A 31 14.960 5.126 -5.787 1.00 0.00 C ATOM 0 H VAL A 31 16.787 3.121 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 31 15.537 3.843 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 31 14.392 3.123 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.364 4.350 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.618 2.902 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.007 4.514 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.296 5.568 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.017 5.780 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.955 5.005 -6.216 1.00 0.00 H new ATOM 440 N ARG A 32 14.593 0.824 -4.503 1.00 0.00 N ATOM 441 CA ARG A 32 13.955 -0.409 -4.057 1.00 0.00 C ATOM 442 C ARG A 32 14.453 -0.809 -2.672 1.00 0.00 C ATOM 443 O ARG A 32 13.708 -0.753 -1.693 1.00 0.00 O ATOM 444 CB ARG A 32 14.227 -1.538 -5.054 1.00 0.00 C ATOM 445 CG ARG A 32 13.704 -1.254 -6.453 1.00 0.00 C ATOM 446 CD ARG A 32 14.075 -2.365 -7.422 1.00 0.00 C ATOM 447 NE ARG A 32 14.187 -1.879 -8.795 1.00 0.00 N ATOM 448 CZ ARG A 32 14.851 -2.520 -9.750 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.461 -3.667 -9.483 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.908 -2.014 -10.975 1.00 0.00 N ATOM 0 H ARG A 32 14.983 0.781 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 32 12.881 -0.233 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.301 -1.715 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.770 -2.456 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.620 -1.144 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.111 -0.308 -6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.022 -2.811 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.322 -3.152 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 32 13.730 -0.999 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.421 -4.059 -8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.970 -4.157 -10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.441 -1.131 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.418 -2.507 -11.707 1.00 0.00 H new ATOM 464 N ARG A 33 15.717 -1.214 -2.597 1.00 0.00 N ATOM 465 CA ARG A 33 16.314 -1.625 -1.332 1.00 0.00 C ATOM 466 C ARG A 33 15.829 -0.739 -0.188 1.00 0.00 C ATOM 467 O ARG A 33 15.346 -1.233 0.830 1.00 0.00 O ATOM 468 CB ARG A 33 17.840 -1.570 -1.421 1.00 0.00 C ATOM 469 CG ARG A 33 18.469 -2.869 -1.897 1.00 0.00 C ATOM 470 CD ARG A 33 19.987 -2.778 -1.915 1.00 0.00 C ATOM 471 NE ARG A 33 20.610 -4.072 -2.183 1.00 0.00 N ATOM 472 CZ ARG A 33 20.757 -5.021 -1.265 1.00 0.00 C ATOM 473 NH1 ARG A 33 20.328 -4.822 -0.027 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.333 -6.172 -1.586 1.00 0.00 N ATOM 0 H ARG A 33 16.347 -1.266 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 33 16.005 -2.651 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.127 -0.767 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.244 -1.318 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.160 -3.685 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.106 -3.106 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.298 -2.062 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.339 -2.398 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 33 20.951 -4.257 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.884 -3.939 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.442 -5.552 0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.663 -6.329 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.446 -6.900 -0.881 1.00 0.00 H new ATOM 488 N GLU A 34 15.961 0.572 -0.365 1.00 0.00 N ATOM 489 CA GLU A 34 15.537 1.527 0.653 1.00 0.00 C ATOM 490 C GLU A 34 14.092 1.270 1.071 1.00 0.00 C ATOM 491 O GLU A 34 13.754 1.340 2.253 1.00 0.00 O ATOM 492 CB GLU A 34 15.683 2.958 0.134 1.00 0.00 C ATOM 493 CG GLU A 34 17.073 3.278 -0.388 1.00 0.00 C ATOM 494 CD GLU A 34 18.006 3.773 0.700 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.774 4.883 1.222 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.968 3.048 1.031 1.00 0.00 O ATOM 0 H GLU A 34 16.358 0.997 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 34 16.178 1.398 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.958 3.122 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.437 3.653 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.498 2.386 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.998 4.035 -1.169 1.00 0.00 H new ATOM 503 N LEU A 35 13.243 0.974 0.093 1.00 0.00 N ATOM 504 CA LEU A 35 11.834 0.707 0.358 1.00 0.00 C ATOM 505 C LEU A 35 11.668 -0.546 1.211 1.00 0.00 C ATOM 506 O LEU A 35 11.003 -0.519 2.248 1.00 0.00 O ATOM 507 CB LEU A 35 11.069 0.547 -0.957 1.00 0.00 C ATOM 508 CG LEU A 35 11.047 1.771 -1.874 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.864 1.349 -3.324 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.947 2.734 -1.454 1.00 0.00 C ATOM 0 H LEU A 35 13.506 0.913 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 35 11.426 1.555 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.504 -0.287 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.040 0.274 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 35 12.004 2.284 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.851 2.233 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.688 0.700 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.922 0.811 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.947 3.598 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.982 2.231 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.123 3.063 -0.430 1.00 0.00 H new ATOM 522 N CYS A 36 12.277 -1.641 0.770 1.00 0.00 N ATOM 523 CA CYS A 36 12.198 -2.904 1.495 1.00 0.00 C ATOM 524 C CYS A 36 12.389 -2.686 2.992 1.00 0.00 C ATOM 525 O CYS A 36 11.819 -3.404 3.812 1.00 0.00 O ATOM 526 CB CYS A 36 13.250 -3.883 0.971 1.00 0.00 C ATOM 527 SG CYS A 36 12.771 -5.622 1.102 1.00 0.00 S ATOM 0 H CYS A 36 12.831 -1.680 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 36 11.206 -3.326 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.457 -3.652 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.179 -3.731 1.521 1.00 0.00 H new ATOM 0 HG CYS A 36 11.693 -5.722 1.821 1.00 0.00 H new ATOM 533 N SER A 37 13.197 -1.689 3.340 1.00 0.00 N ATOM 534 CA SER A 37 13.469 -1.379 4.739 1.00 0.00 C ATOM 535 C SER A 37 12.222 -0.830 5.426 1.00 0.00 C ATOM 536 O SER A 37 11.968 -1.113 6.597 1.00 0.00 O ATOM 537 CB SER A 37 14.612 -0.368 4.846 1.00 0.00 C ATOM 538 OG SER A 37 15.206 -0.404 6.133 1.00 0.00 O ATOM 0 H SER A 37 13.674 -1.083 2.673 1.00 0.00 H new ATOM 0 HA SER A 37 13.762 -2.302 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.365 -0.584 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.235 0.635 4.644 1.00 0.00 H new ATOM 0 HG SER A 37 15.935 0.250 6.175 1.00 0.00 H new ATOM 544 N VAL A 38 11.446 -0.042 4.688 1.00 0.00 N ATOM 545 CA VAL A 38 10.225 0.547 5.224 1.00 0.00 C ATOM 546 C VAL A 38 8.994 0.013 4.500 1.00 0.00 C ATOM 547 O VAL A 38 7.939 0.646 4.500 1.00 0.00 O ATOM 548 CB VAL A 38 10.247 2.083 5.112 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.380 2.664 5.944 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.371 2.509 3.657 1.00 0.00 C ATOM 0 H VAL A 38 11.642 0.203 3.717 1.00 0.00 H new ATOM 0 HA VAL A 38 10.174 0.268 6.276 1.00 0.00 H new ATOM 0 HB VAL A 38 9.306 2.471 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.379 3.750 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.242 2.388 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.332 2.271 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.385 3.597 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.295 2.110 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.522 2.125 3.092 1.00 0.00 H new ATOM 560 N MET A 39 9.137 -1.156 3.885 1.00 0.00 N ATOM 561 CA MET A 39 8.035 -1.777 3.159 1.00 0.00 C ATOM 562 C MET A 39 7.206 -2.663 4.083 1.00 0.00 C ATOM 563 O MET A 39 7.698 -3.666 4.602 1.00 0.00 O ATOM 564 CB MET A 39 8.569 -2.601 1.986 1.00 0.00 C ATOM 565 CG MET A 39 8.887 -1.770 0.754 1.00 0.00 C ATOM 566 SD MET A 39 7.489 -1.642 -0.378 1.00 0.00 S ATOM 567 CE MET A 39 8.114 -2.548 -1.791 1.00 0.00 C ATOM 0 H MET A 39 10.005 -1.692 3.875 1.00 0.00 H new ATOM 0 HA MET A 39 7.394 -0.984 2.774 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.470 -3.126 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.833 -3.361 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.191 -0.770 1.064 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.734 -2.213 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.307 -1.856 -2.611 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.040 -3.055 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 39 7.376 -3.286 -2.106 1.00 0.00 H new ATOM 577 N ILE A 40 5.947 -2.288 4.283 1.00 0.00 N ATOM 578 CA ILE A 40 5.051 -3.050 5.144 1.00 0.00 C ATOM 579 C ILE A 40 4.441 -4.230 4.395 1.00 0.00 C ATOM 580 O ILE A 40 4.221 -4.164 3.185 1.00 0.00 O ATOM 581 CB ILE A 40 3.917 -2.167 5.698 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.482 -1.119 6.660 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.871 -3.024 6.395 1.00 0.00 C ATOM 584 CD1 ILE A 40 4.881 0.172 5.980 1.00 0.00 C ATOM 0 H ILE A 40 5.524 -1.461 3.861 1.00 0.00 H new ATOM 0 HA ILE A 40 5.651 -3.421 5.975 1.00 0.00 H new ATOM 0 HB ILE A 40 3.439 -1.650 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.738 -0.902 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.351 -1.536 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.076 -2.386 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.452 -3.736 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.335 -3.565 7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.273 0.868 6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.648 -0.032 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.010 0.612 5.494 1.00 0.00 H new ATOM 596 N PHE A 41 4.168 -5.308 5.122 1.00 0.00 N ATOM 597 CA PHE A 41 3.583 -6.503 4.527 1.00 0.00 C ATOM 598 C PHE A 41 2.088 -6.582 4.823 1.00 0.00 C ATOM 599 O PHE A 41 1.660 -6.388 5.960 1.00 0.00 O ATOM 600 CB PHE A 41 4.285 -7.757 5.052 1.00 0.00 C ATOM 601 CG PHE A 41 5.605 -8.028 4.389 1.00 0.00 C ATOM 602 CD1 PHE A 41 5.673 -8.267 3.026 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.776 -8.043 5.128 1.00 0.00 C ATOM 604 CE1 PHE A 41 6.886 -8.517 2.412 1.00 0.00 C ATOM 605 CE2 PHE A 41 7.992 -8.291 4.519 1.00 0.00 C ATOM 606 CZ PHE A 41 8.047 -8.529 3.160 1.00 0.00 C ATOM 0 H PHE A 41 4.343 -5.378 6.124 1.00 0.00 H new ATOM 0 HA PHE A 41 3.719 -6.444 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.441 -7.653 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.631 -8.617 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.768 -8.258 2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.739 -7.859 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.926 -8.703 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.899 -8.299 5.106 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.996 -8.724 2.683 1.00 0.00 H new ATOM 616 N GLU A 42 1.300 -6.867 3.791 1.00 0.00 N ATOM 617 CA GLU A 42 -0.147 -6.970 3.941 1.00 0.00 C ATOM 618 C GLU A 42 -0.731 -7.945 2.923 1.00 0.00 C ATOM 619 O GLU A 42 -0.462 -7.846 1.726 1.00 0.00 O ATOM 620 CB GLU A 42 -0.798 -5.594 3.778 1.00 0.00 C ATOM 621 CG GLU A 42 -0.702 -4.725 5.020 1.00 0.00 C ATOM 622 CD GLU A 42 -1.683 -3.569 5.000 1.00 0.00 C ATOM 623 OE1 GLU A 42 -1.692 -2.816 4.003 1.00 0.00 O ATOM 624 OE2 GLU A 42 -2.441 -3.417 5.981 1.00 0.00 O ATOM 0 H GLU A 42 1.639 -7.031 2.843 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.357 -7.347 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.326 -5.075 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.848 -5.727 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.886 -5.338 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.312 -4.335 5.108 1.00 0.00 H new ATOM 631 N VAL A 43 -1.533 -8.887 3.408 1.00 0.00 N ATOM 632 CA VAL A 43 -2.157 -9.881 2.542 1.00 0.00 C ATOM 633 C VAL A 43 -3.616 -10.105 2.924 1.00 0.00 C ATOM 634 O VAL A 43 -3.931 -10.374 4.083 1.00 0.00 O ATOM 635 CB VAL A 43 -1.410 -11.226 2.602 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.084 -12.253 1.705 1.00 0.00 C ATOM 637 CG2 VAL A 43 0.049 -11.043 2.214 1.00 0.00 C ATOM 0 H VAL A 43 -1.766 -8.983 4.396 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.106 -9.491 1.525 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.446 -11.596 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.542 -13.197 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.112 -12.405 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.082 -11.894 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.562 -12.004 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.109 -10.650 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.524 -10.344 2.902 1.00 0.00 H new ATOM 647 N VAL A 44 -4.503 -9.992 1.941 1.00 0.00 N ATOM 648 CA VAL A 44 -5.930 -10.183 2.173 1.00 0.00 C ATOM 649 C VAL A 44 -6.349 -11.617 1.865 1.00 0.00 C ATOM 650 O VAL A 44 -6.150 -12.106 0.754 1.00 0.00 O ATOM 651 CB VAL A 44 -6.772 -9.219 1.317 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.255 -9.420 1.588 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.365 -7.777 1.582 1.00 0.00 C ATOM 0 H VAL A 44 -4.259 -9.769 0.976 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.111 -9.973 3.227 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.586 -9.438 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.834 -8.730 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.534 -10.445 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.462 -9.229 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.970 -7.110 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.520 -7.543 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.312 -7.644 1.332 1.00 0.00 H new ATOM 663 N GLU A 45 -6.931 -12.283 2.858 1.00 0.00 N ATOM 664 CA GLU A 45 -7.378 -13.661 2.692 1.00 0.00 C ATOM 665 C GLU A 45 -8.817 -13.709 2.186 1.00 0.00 C ATOM 666 O GLU A 45 -9.162 -14.539 1.346 1.00 0.00 O ATOM 667 CB GLU A 45 -7.266 -14.419 4.017 1.00 0.00 C ATOM 668 CG GLU A 45 -5.920 -15.095 4.219 1.00 0.00 C ATOM 669 CD GLU A 45 -6.017 -16.342 5.077 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.910 -17.175 4.814 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.200 -16.484 6.011 1.00 0.00 O ATOM 0 H GLU A 45 -7.104 -11.891 3.784 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.735 -14.138 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.442 -13.725 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.052 -15.173 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.500 -15.358 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.230 -14.391 4.684 1.00 0.00 H new ATOM 678 N GLN A 46 -9.651 -12.814 2.705 1.00 0.00 N ATOM 679 CA GLN A 46 -11.052 -12.755 2.307 1.00 0.00 C ATOM 680 C GLN A 46 -11.231 -11.877 1.073 1.00 0.00 C ATOM 681 O GLN A 46 -10.925 -10.686 1.097 1.00 0.00 O ATOM 682 CB GLN A 46 -11.909 -12.220 3.456 1.00 0.00 C ATOM 683 CG GLN A 46 -11.520 -10.821 3.904 1.00 0.00 C ATOM 684 CD GLN A 46 -12.191 -10.417 5.203 1.00 0.00 C ATOM 685 OE1 GLN A 46 -12.868 -11.222 5.842 1.00 0.00 O ATOM 686 NE2 GLN A 46 -12.005 -9.163 5.600 1.00 0.00 N ATOM 0 H GLN A 46 -9.381 -12.120 3.402 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.376 -13.766 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.954 -12.216 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.830 -12.900 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.438 -10.771 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.786 -10.107 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.436 -8.529 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.431 -8.834 6.466 1.00 0.00 H new ATOM 695 N ALA A 47 -11.728 -12.475 -0.005 1.00 0.00 N ATOM 696 CA ALA A 47 -11.949 -11.747 -1.248 1.00 0.00 C ATOM 697 C ALA A 47 -12.952 -10.615 -1.051 1.00 0.00 C ATOM 698 O ALA A 47 -13.512 -10.450 0.032 1.00 0.00 O ATOM 699 CB ALA A 47 -12.429 -12.695 -2.337 1.00 0.00 C ATOM 0 H ALA A 47 -11.985 -13.461 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.000 -11.308 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.590 -12.138 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.677 -13.466 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.364 -13.161 -2.027 1.00 0.00 H new ATOM 705 N GLY A 48 -13.172 -9.835 -2.105 1.00 0.00 N ATOM 706 CA GLY A 48 -14.106 -8.727 -2.026 1.00 0.00 C ATOM 707 C GLY A 48 -13.825 -7.815 -0.848 1.00 0.00 C ATOM 708 O GLY A 48 -14.718 -7.116 -0.369 1.00 0.00 O ATOM 0 H GLY A 48 -12.720 -9.951 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.058 -8.149 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.121 -9.116 -1.946 1.00 0.00 H new ATOM 712 N ALA A 49 -12.582 -7.822 -0.379 1.00 0.00 N ATOM 713 CA ALA A 49 -12.186 -6.989 0.749 1.00 0.00 C ATOM 714 C ALA A 49 -11.900 -5.560 0.303 1.00 0.00 C ATOM 715 O ALA A 49 -11.313 -5.336 -0.756 1.00 0.00 O ATOM 716 CB ALA A 49 -10.967 -7.582 1.441 1.00 0.00 C ATOM 0 H ALA A 49 -11.831 -8.396 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.015 -6.962 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.682 -6.949 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.205 -8.582 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.139 -7.640 0.734 1.00 0.00 H new ATOM 722 N ILE A 50 -12.318 -4.596 1.116 1.00 0.00 N ATOM 723 CA ILE A 50 -12.106 -3.188 0.804 1.00 0.00 C ATOM 724 C ILE A 50 -10.687 -2.755 1.154 1.00 0.00 C ATOM 725 O ILE A 50 -10.259 -2.867 2.303 1.00 0.00 O ATOM 726 CB ILE A 50 -13.105 -2.288 1.554 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.537 -2.603 1.117 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.783 -0.821 1.311 1.00 0.00 C ATOM 729 CD1 ILE A 50 -14.944 -4.038 1.370 1.00 0.00 C ATOM 0 H ILE A 50 -12.806 -4.764 1.996 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.263 -3.076 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.019 -2.487 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.223 -1.941 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.640 -2.387 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.498 -0.198 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.775 -0.606 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.844 -0.607 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.970 -4.189 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.281 -4.706 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.874 -4.253 2.436 1.00 0.00 H new ATOM 741 N ILE A 51 -9.962 -2.259 0.157 1.00 0.00 N ATOM 742 CA ILE A 51 -8.592 -1.806 0.361 1.00 0.00 C ATOM 743 C ILE A 51 -8.557 -0.362 0.851 1.00 0.00 C ATOM 744 O ILE A 51 -7.761 -0.010 1.722 1.00 0.00 O ATOM 745 CB ILE A 51 -7.764 -1.917 -0.933 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.253 -3.095 -1.778 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.286 -2.071 -0.604 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.268 -4.410 -1.030 1.00 0.00 C ATOM 0 H ILE A 51 -10.301 -2.161 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.155 -2.455 1.120 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.894 -1.002 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.259 -2.880 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.614 -3.193 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.714 -2.148 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.947 -1.203 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.138 -2.972 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.625 -5.200 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.259 -4.648 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.930 -4.331 -0.168 1.00 0.00 H new ATOM 760 N LEU A 52 -9.426 0.469 0.287 1.00 0.00 N ATOM 761 CA LEU A 52 -9.497 1.876 0.668 1.00 0.00 C ATOM 762 C LEU A 52 -10.920 2.407 0.527 1.00 0.00 C ATOM 763 O LEU A 52 -11.794 1.730 -0.015 1.00 0.00 O ATOM 764 CB LEU A 52 -8.543 2.706 -0.193 1.00 0.00 C ATOM 765 CG LEU A 52 -7.062 2.336 -0.101 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.299 2.890 -1.294 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.465 2.848 1.202 1.00 0.00 C ATOM 0 H LEU A 52 -10.091 0.194 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.200 1.960 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.855 2.618 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.653 3.754 0.085 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.976 1.249 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.247 2.617 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.711 2.475 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.392 3.976 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.411 2.576 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.562 3.933 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.994 2.403 2.044 1.00 0.00 H new ATOM 779 N GLU A 53 -11.144 3.623 1.016 1.00 0.00 N ATOM 780 CA GLU A 53 -12.460 4.244 0.943 1.00 0.00 C ATOM 781 C GLU A 53 -12.355 5.685 0.449 1.00 0.00 C ATOM 782 O GLU A 53 -11.376 6.377 0.726 1.00 0.00 O ATOM 783 CB GLU A 53 -13.141 4.212 2.312 1.00 0.00 C ATOM 784 CG GLU A 53 -13.564 2.819 2.749 1.00 0.00 C ATOM 785 CD GLU A 53 -14.122 2.794 4.159 1.00 0.00 C ATOM 786 OE1 GLU A 53 -15.283 3.214 4.346 1.00 0.00 O ATOM 787 OE2 GLU A 53 -13.396 2.355 5.076 1.00 0.00 O ATOM 0 H GLU A 53 -10.431 4.197 1.467 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.062 3.677 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.461 4.626 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.019 4.858 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.316 2.438 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.707 2.148 2.689 1.00 0.00 H new ATOM 794 N ASP A 54 -13.371 6.128 -0.285 1.00 0.00 N ATOM 795 CA ASP A 54 -13.394 7.485 -0.818 1.00 0.00 C ATOM 796 C ASP A 54 -13.483 8.509 0.309 1.00 0.00 C ATOM 797 O ASP A 54 -14.368 8.437 1.160 1.00 0.00 O ATOM 798 CB ASP A 54 -14.573 7.659 -1.776 1.00 0.00 C ATOM 799 CG ASP A 54 -14.953 9.114 -1.968 1.00 0.00 C ATOM 800 OD1 ASP A 54 -14.191 9.842 -2.638 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.011 9.526 -1.448 1.00 0.00 O ATOM 0 H ASP A 54 -14.189 5.567 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.465 7.651 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.320 7.222 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.433 7.109 -1.393 1.00 0.00 H new ATOM 806 N GLY A 55 -12.557 9.464 0.309 1.00 0.00 N ATOM 807 CA GLY A 55 -12.547 10.489 1.336 1.00 0.00 C ATOM 808 C GLY A 55 -11.651 10.130 2.505 1.00 0.00 C ATOM 809 O GLY A 55 -11.901 10.545 3.636 1.00 0.00 O ATOM 0 H GLY A 55 -11.814 9.546 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.212 11.431 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.563 10.648 1.697 1.00 0.00 H new ATOM 813 N GLN A 56 -10.605 9.357 2.230 1.00 0.00 N ATOM 814 CA GLN A 56 -9.670 8.941 3.269 1.00 0.00 C ATOM 815 C GLN A 56 -8.263 9.450 2.971 1.00 0.00 C ATOM 816 O GLN A 56 -7.670 9.098 1.952 1.00 0.00 O ATOM 817 CB GLN A 56 -9.658 7.417 3.394 1.00 0.00 C ATOM 818 CG GLN A 56 -8.862 6.910 4.585 1.00 0.00 C ATOM 819 CD GLN A 56 -9.078 5.432 4.846 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.943 5.049 5.634 1.00 0.00 O ATOM 821 NE2 GLN A 56 -8.291 4.593 4.183 1.00 0.00 N ATOM 0 H GLN A 56 -10.384 9.007 1.298 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.000 9.373 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.685 7.059 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.243 6.989 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.801 7.093 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.143 7.477 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.587 4.955 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.390 3.587 4.317 1.00 0.00 H new ATOM 830 N GLU A 57 -7.736 10.279 3.866 1.00 0.00 N ATOM 831 CA GLU A 57 -6.400 10.836 3.697 1.00 0.00 C ATOM 832 C GLU A 57 -5.377 9.731 3.446 1.00 0.00 C ATOM 833 O GLU A 57 -4.874 9.111 4.384 1.00 0.00 O ATOM 834 CB GLU A 57 -6.000 11.645 4.932 1.00 0.00 C ATOM 835 CG GLU A 57 -4.830 12.584 4.693 1.00 0.00 C ATOM 836 CD GLU A 57 -4.086 12.927 5.969 1.00 0.00 C ATOM 837 OE1 GLU A 57 -3.292 12.085 6.437 1.00 0.00 O ATOM 838 OE2 GLU A 57 -4.298 14.038 6.500 1.00 0.00 O ATOM 0 H GLU A 57 -8.214 10.580 4.715 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.417 11.496 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.858 12.226 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.744 10.958 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.139 12.124 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.194 13.502 4.231 1.00 0.00 H new ATOM 845 N LEU A 58 -5.075 9.490 2.175 1.00 0.00 N ATOM 846 CA LEU A 58 -4.113 8.460 1.800 1.00 0.00 C ATOM 847 C LEU A 58 -2.718 8.804 2.312 1.00 0.00 C ATOM 848 O LEU A 58 -2.146 9.829 1.942 1.00 0.00 O ATOM 849 CB LEU A 58 -4.083 8.292 0.280 1.00 0.00 C ATOM 850 CG LEU A 58 -5.423 7.977 -0.387 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.460 8.537 -1.800 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.673 6.476 -0.399 1.00 0.00 C ATOM 0 H LEU A 58 -5.482 9.994 1.387 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.426 7.522 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.688 9.208 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.382 7.494 0.036 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.216 8.452 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.421 8.303 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.327 9.618 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.658 8.091 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.631 6.270 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.877 5.979 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.691 6.102 0.625 1.00 0.00 H new ATOM 864 N ASP A 59 -2.176 7.940 3.163 1.00 0.00 N ATOM 865 CA ASP A 59 -0.847 8.151 3.724 1.00 0.00 C ATOM 866 C ASP A 59 0.026 6.914 3.534 1.00 0.00 C ATOM 867 O ASP A 59 0.942 6.662 4.316 1.00 0.00 O ATOM 868 CB ASP A 59 -0.946 8.496 5.211 1.00 0.00 C ATOM 869 CG ASP A 59 -1.444 7.332 6.044 1.00 0.00 C ATOM 870 OD1 ASP A 59 -1.327 6.178 5.580 1.00 0.00 O ATOM 871 OD2 ASP A 59 -1.953 7.574 7.159 1.00 0.00 O ATOM 0 H ASP A 59 -2.637 7.087 3.479 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.385 8.985 3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.033 8.806 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.618 9.345 5.340 1.00 0.00 H new ATOM 876 N SER A 60 -0.266 6.146 2.489 1.00 0.00 N ATOM 877 CA SER A 60 0.489 4.933 2.198 1.00 0.00 C ATOM 878 C SER A 60 0.297 4.509 0.745 1.00 0.00 C ATOM 879 O SER A 60 -0.799 4.616 0.195 1.00 0.00 O ATOM 880 CB SER A 60 0.056 3.801 3.132 1.00 0.00 C ATOM 881 OG SER A 60 0.679 3.920 4.399 1.00 0.00 O ATOM 0 H SER A 60 -1.020 6.342 1.830 1.00 0.00 H new ATOM 0 HA SER A 60 1.546 5.145 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.027 3.819 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.311 2.840 2.686 1.00 0.00 H new ATOM 0 HG SER A 60 0.987 4.841 4.527 1.00 0.00 H new ATOM 887 N TRP A 61 1.371 4.028 0.130 1.00 0.00 N ATOM 888 CA TRP A 61 1.323 3.588 -1.260 1.00 0.00 C ATOM 889 C TRP A 61 1.014 2.097 -1.349 1.00 0.00 C ATOM 890 O TRP A 61 1.730 1.271 -0.782 1.00 0.00 O ATOM 891 CB TRP A 61 2.650 3.889 -1.959 1.00 0.00 C ATOM 892 CG TRP A 61 2.636 3.569 -3.423 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.587 3.716 -4.284 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.722 3.045 -4.196 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.955 3.316 -5.546 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.260 2.901 -5.519 1.00 0.00 C ATOM 897 CE3 TRP A 61 5.039 2.686 -3.900 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.069 2.412 -6.540 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.842 2.201 -4.915 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.355 2.068 -6.222 1.00 0.00 C ATOM 0 H TRP A 61 2.286 3.933 0.571 1.00 0.00 H new ATOM 0 HA TRP A 61 0.525 4.136 -1.761 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.891 4.944 -1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.444 3.318 -1.477 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.611 4.091 -4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.354 3.326 -6.370 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.423 2.786 -2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.695 2.308 -7.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.862 1.920 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.007 1.687 -6.994 1.00 0.00 H new ATOM 911 N TYR A 62 -0.054 1.760 -2.062 1.00 0.00 N ATOM 912 CA TYR A 62 -0.458 0.368 -2.222 1.00 0.00 C ATOM 913 C TYR A 62 -0.133 -0.136 -3.625 1.00 0.00 C ATOM 914 O TYR A 62 -0.659 0.370 -4.616 1.00 0.00 O ATOM 915 CB TYR A 62 -1.955 0.214 -1.947 1.00 0.00 C ATOM 916 CG TYR A 62 -2.376 0.723 -0.587 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.644 2.071 -0.380 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.508 -0.144 0.490 1.00 0.00 C ATOM 919 CE1 TYR A 62 -3.028 2.540 0.861 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.893 0.316 1.734 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.152 1.658 1.915 1.00 0.00 C ATOM 922 OH TYR A 62 -3.536 2.121 3.153 1.00 0.00 O ATOM 0 H TYR A 62 -0.656 2.431 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 62 0.100 -0.230 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.514 0.749 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.225 -0.839 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.550 2.763 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.306 -1.196 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.230 3.591 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.991 -0.372 2.561 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.576 1.372 3.784 1.00 0.00 H new ATOM 932 N VAL A 63 0.739 -1.136 -3.700 1.00 0.00 N ATOM 933 CA VAL A 63 1.135 -1.711 -4.980 1.00 0.00 C ATOM 934 C VAL A 63 0.659 -3.154 -5.105 1.00 0.00 C ATOM 935 O VAL A 63 0.983 -4.000 -4.272 1.00 0.00 O ATOM 936 CB VAL A 63 2.663 -1.669 -5.166 1.00 0.00 C ATOM 937 CG1 VAL A 63 3.059 -2.313 -6.486 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.170 -0.236 -5.089 1.00 0.00 C ATOM 0 H VAL A 63 1.185 -1.565 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 63 0.665 -1.107 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 63 3.125 -2.238 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.142 -2.274 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.730 -3.352 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.588 -1.775 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.252 -0.225 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.702 0.358 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.920 0.186 -4.116 1.00 0.00 H new ATOM 948 N ILE A 64 -0.112 -3.428 -6.152 1.00 0.00 N ATOM 949 CA ILE A 64 -0.632 -4.769 -6.388 1.00 0.00 C ATOM 950 C ILE A 64 0.501 -5.774 -6.565 1.00 0.00 C ATOM 951 O ILE A 64 1.241 -5.725 -7.547 1.00 0.00 O ATOM 952 CB ILE A 64 -1.540 -4.811 -7.631 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.670 -3.789 -7.499 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.104 -6.210 -7.828 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.303 -3.413 -8.821 1.00 0.00 C ATOM 0 H ILE A 64 -0.390 -2.739 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.220 -5.038 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.944 -4.554 -8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.438 -4.192 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.281 -2.889 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.744 -6.223 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.285 -6.917 -7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.688 -6.494 -6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.096 -2.685 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.547 -2.980 -9.476 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.722 -4.303 -9.290 1.00 0.00 H new ATOM 967 N LEU A 65 0.629 -6.687 -5.608 1.00 0.00 N ATOM 968 CA LEU A 65 1.671 -7.707 -5.658 1.00 0.00 C ATOM 969 C LEU A 65 1.145 -8.991 -6.292 1.00 0.00 C ATOM 970 O LEU A 65 1.867 -9.681 -7.011 1.00 0.00 O ATOM 971 CB LEU A 65 2.196 -7.997 -4.251 1.00 0.00 C ATOM 972 CG LEU A 65 2.912 -6.841 -3.551 1.00 0.00 C ATOM 973 CD1 LEU A 65 2.899 -7.041 -2.043 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.339 -6.709 -4.062 1.00 0.00 C ATOM 0 H LEU A 65 0.024 -6.742 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 65 2.488 -7.328 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.357 -8.309 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.882 -8.842 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 65 2.380 -5.917 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.413 -6.209 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.868 -7.084 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.406 -7.973 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.833 -5.881 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.883 -7.633 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.325 -6.518 -5.135 1.00 0.00 H new ATOM 986 N ASN A 66 -0.118 -9.305 -6.021 1.00 0.00 N ATOM 987 CA ASN A 66 -0.741 -10.506 -6.566 1.00 0.00 C ATOM 988 C ASN A 66 -2.262 -10.392 -6.533 1.00 0.00 C ATOM 989 O ASN A 66 -2.827 -9.731 -5.664 1.00 0.00 O ATOM 990 CB ASN A 66 -0.294 -11.739 -5.778 1.00 0.00 C ATOM 991 CG ASN A 66 -0.682 -13.035 -6.465 1.00 0.00 C ATOM 992 OD1 ASN A 66 -0.546 -13.171 -7.681 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.169 -13.994 -5.686 1.00 0.00 N ATOM 0 H ASN A 66 -0.730 -8.745 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.424 -10.611 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.788 -11.710 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.737 -11.711 -4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.448 -14.888 -6.091 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.264 -13.837 -4.683 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.919 -11.042 -7.489 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.368 -11.002 -7.552 1.00 0.00 C ATOM 1002 C GLY A 67 -4.880 -9.842 -8.383 1.00 0.00 C ATOM 1003 O GLY A 67 -4.130 -9.240 -9.152 1.00 0.00 O ATOM 0 H GLY A 67 -2.473 -11.595 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.736 -11.937 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.771 -10.927 -6.542 1.00 0.00 H new ATOM 1007 N THR A 68 -6.163 -9.528 -8.231 1.00 0.00 N ATOM 1008 CA THR A 68 -6.776 -8.435 -8.976 1.00 0.00 C ATOM 1009 C THR A 68 -7.642 -7.569 -8.069 1.00 0.00 C ATOM 1010 O THR A 68 -8.384 -8.080 -7.229 1.00 0.00 O ATOM 1011 CB THR A 68 -7.637 -8.961 -10.140 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.832 -9.740 -11.032 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.280 -7.811 -10.900 1.00 0.00 C ATOM 0 H THR A 68 -6.798 -10.015 -7.599 1.00 0.00 H new ATOM 0 HA THR A 68 -5.962 -7.833 -9.380 1.00 0.00 H new ATOM 0 HB THR A 68 -8.427 -9.587 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.387 -10.072 -11.768 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.883 -8.207 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.916 -7.239 -10.224 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.503 -7.162 -11.304 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.544 -6.255 -8.242 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.321 -5.318 -7.440 1.00 0.00 C ATOM 1023 C VAL A 69 -9.211 -4.447 -8.320 1.00 0.00 C ATOM 1024 O VAL A 69 -8.749 -3.860 -9.297 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.407 -4.410 -6.596 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.662 -5.226 -5.550 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.433 -3.657 -7.489 1.00 0.00 C ATOM 0 H VAL A 69 -6.934 -5.815 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.945 -5.914 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.028 -3.680 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.021 -4.568 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.380 -5.715 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.051 -5.981 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.795 -3.020 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.816 -4.369 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.989 -3.041 -8.195 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.490 -4.369 -7.965 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.445 -3.569 -8.723 1.00 0.00 C ATOM 1039 C GLU A 70 -11.814 -2.298 -7.964 1.00 0.00 C ATOM 1040 O GLU A 70 -12.225 -2.353 -6.805 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.705 -4.385 -9.019 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.777 -3.602 -9.757 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.916 -4.481 -10.236 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.773 -4.847 -9.404 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.951 -4.803 -11.442 1.00 0.00 O ATOM 0 H GLU A 70 -10.888 -4.850 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.976 -3.285 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.432 -5.258 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.118 -4.754 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.172 -2.827 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.329 -3.097 -10.612 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.664 -1.156 -8.626 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.983 0.128 -8.015 1.00 0.00 C ATOM 1054 C ILE A 71 -13.306 0.674 -8.540 1.00 0.00 C ATOM 1055 O ILE A 71 -13.641 0.498 -9.712 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.874 1.165 -8.273 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.529 0.643 -7.762 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.221 2.489 -7.608 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.337 1.359 -8.358 1.00 0.00 C ATOM 0 H ILE A 71 -11.324 -1.094 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.065 -0.045 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.795 1.330 -9.347 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.498 0.744 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.453 -0.421 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.428 3.211 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.160 2.865 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.324 2.340 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.418 0.937 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.343 1.237 -9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.389 2.420 -8.112 1.00 0.00 H new ATOM 1071 N SER A 72 -14.054 1.340 -7.666 1.00 0.00 N ATOM 1072 CA SER A 72 -15.342 1.911 -8.042 1.00 0.00 C ATOM 1073 C SER A 72 -15.447 3.363 -7.584 1.00 0.00 C ATOM 1074 O SER A 72 -15.414 3.653 -6.387 1.00 0.00 O ATOM 1075 CB SER A 72 -16.483 1.091 -7.438 1.00 0.00 C ATOM 1076 OG SER A 72 -16.707 -0.096 -8.180 1.00 0.00 O ATOM 0 H SER A 72 -13.790 1.497 -6.693 1.00 0.00 H new ATOM 0 HA SER A 72 -15.420 1.884 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.246 0.838 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.394 1.689 -7.419 1.00 0.00 H new ATOM 0 HG SER A 72 -17.440 -0.603 -7.773 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.574 4.272 -8.545 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.684 5.695 -8.242 1.00 0.00 C ATOM 1084 C HIS A 73 -17.142 6.095 -8.036 1.00 0.00 C ATOM 1085 O HIS A 73 -18.060 5.500 -8.600 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.069 6.527 -9.368 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.614 6.250 -9.592 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.610 6.916 -8.922 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -12.997 5.371 -10.416 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.437 6.460 -9.326 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.645 5.521 -10.232 1.00 0.00 N ATOM 0 H HIS A 73 -15.603 4.049 -9.540 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.138 5.888 -7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.614 6.332 -10.292 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.198 7.585 -9.139 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -12.750 7.646 -8.224 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.479 4.680 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.473 6.797 -8.975 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.361 7.127 -7.207 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.706 7.629 -6.907 1.00 0.00 C ATOM 1102 C PRO A 74 -19.344 8.326 -8.103 1.00 0.00 C ATOM 1103 O PRO A 74 -20.562 8.503 -8.154 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.466 8.627 -5.771 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.055 9.069 -5.947 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.314 7.883 -6.500 1.00 0.00 C ATOM 0 HA PRO A 74 -19.394 6.824 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.155 9.469 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.617 8.162 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.994 9.919 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.625 9.389 -4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.514 8.188 -7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.856 7.291 -5.708 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.516 8.720 -9.064 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.000 9.398 -10.261 1.00 0.00 C ATOM 1116 C ASP A 75 -19.703 8.416 -11.194 1.00 0.00 C ATOM 1117 O ASP A 75 -20.761 8.717 -11.745 1.00 0.00 O ATOM 1118 CB ASP A 75 -17.841 10.075 -10.994 1.00 0.00 C ATOM 1119 CG ASP A 75 -18.273 10.703 -12.305 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -19.475 11.008 -12.448 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -17.408 10.890 -13.187 1.00 0.00 O ATOM 0 H ASP A 75 -17.506 8.581 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 75 -19.718 10.158 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.408 10.842 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.058 9.341 -11.186 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.107 7.240 -11.367 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.690 6.233 -12.234 1.00 0.00 C ATOM 1128 C GLY A 76 -18.650 5.526 -13.081 1.00 0.00 C ATOM 1129 O GLY A 76 -18.931 5.114 -14.207 1.00 0.00 O ATOM 0 H GLY A 76 -18.231 6.967 -10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.221 5.499 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.428 6.702 -12.886 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.445 5.385 -12.540 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.359 4.723 -13.253 1.00 0.00 C ATOM 1135 C LYS A 77 -15.804 3.559 -12.438 1.00 0.00 C ATOM 1136 O LYS A 77 -15.872 3.560 -11.209 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.241 5.721 -13.562 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.261 5.231 -14.614 1.00 0.00 C ATOM 1139 CD LYS A 77 -14.907 5.158 -15.987 1.00 0.00 C ATOM 1140 CE LYS A 77 -13.863 5.130 -17.093 1.00 0.00 C ATOM 1141 NZ LYS A 77 -14.406 4.551 -18.353 1.00 0.00 N ATOM 0 H LYS A 77 -17.196 5.720 -11.610 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.758 4.332 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.685 6.658 -13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.696 5.939 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.401 5.900 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.887 4.246 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.530 4.266 -16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.564 6.016 -16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.507 6.143 -17.282 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.003 4.546 -16.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.664 4.549 -19.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.722 3.576 -18.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.211 5.123 -18.679 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.253 2.567 -13.131 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.683 1.398 -12.472 1.00 0.00 C ATOM 1157 C VAL A 78 -13.351 1.007 -13.101 1.00 0.00 C ATOM 1158 O VAL A 78 -13.307 0.507 -14.224 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.642 0.194 -12.537 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.092 -0.971 -11.729 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.026 0.589 -12.046 1.00 0.00 C ATOM 0 H VAL A 78 -15.189 2.550 -14.149 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.523 1.670 -11.429 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.728 -0.125 -13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.783 -1.812 -11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.124 -1.268 -12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.975 -0.669 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.691 -0.273 -12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.961 0.935 -11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.420 1.389 -12.673 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.266 1.239 -12.368 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.931 0.911 -12.855 1.00 0.00 C ATOM 1173 C GLU A 79 -10.566 -0.531 -12.512 1.00 0.00 C ATOM 1174 O GLU A 79 -10.794 -0.991 -11.394 1.00 0.00 O ATOM 1175 CB GLU A 79 -9.897 1.867 -12.256 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.742 3.161 -13.036 1.00 0.00 C ATOM 1177 CD GLU A 79 -8.691 4.079 -12.441 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -7.597 3.583 -12.098 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -8.963 5.291 -12.317 1.00 0.00 O ATOM 0 H GLU A 79 -12.285 1.652 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.930 1.019 -13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.183 2.102 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.932 1.363 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.475 2.929 -14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.700 3.681 -13.064 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.998 -1.238 -13.484 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.602 -2.627 -13.287 1.00 0.00 C ATOM 1188 C ASN A 80 -8.083 -2.769 -13.313 1.00 0.00 C ATOM 1189 O ASN A 80 -7.458 -2.673 -14.369 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.227 -3.515 -14.364 1.00 0.00 C ATOM 1191 CG ASN A 80 -10.328 -2.814 -15.705 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -11.055 -1.830 -15.850 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -9.598 -3.318 -16.693 1.00 0.00 N ATOM 0 H ASN A 80 -9.802 -0.872 -14.415 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.962 -2.946 -12.309 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.631 -4.421 -14.475 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.222 -3.825 -14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.625 -2.888 -17.618 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.010 -4.135 -16.527 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.496 -2.999 -12.144 1.00 0.00 N ATOM 1201 CA LEU A 81 -6.050 -3.156 -12.031 1.00 0.00 C ATOM 1202 C LEU A 81 -5.673 -4.622 -11.848 1.00 0.00 C ATOM 1203 O LEU A 81 -6.453 -5.412 -11.314 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.517 -2.330 -10.859 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.865 -0.841 -10.875 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.653 -0.229 -9.499 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.034 -0.110 -11.919 1.00 0.00 C ATOM 0 H LEU A 81 -7.999 -3.081 -11.260 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.598 -2.797 -12.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.897 -2.762 -9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.432 -2.429 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.917 -0.736 -11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.906 0.831 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.292 -0.734 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.610 -0.345 -9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.295 0.948 -11.916 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.975 -0.223 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.235 -0.531 -12.904 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.473 -4.980 -12.291 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.992 -6.351 -12.175 1.00 0.00 C ATOM 1221 C PHE A 82 -2.578 -6.385 -11.601 1.00 0.00 C ATOM 1222 O PHE A 82 -1.944 -5.345 -11.423 1.00 0.00 O ATOM 1223 CB PHE A 82 -4.016 -7.041 -13.541 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.317 -6.876 -14.272 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -5.552 -5.754 -15.051 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -6.306 -7.842 -14.182 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -6.749 -5.599 -15.725 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -7.504 -7.693 -14.855 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.726 -6.570 -15.627 1.00 0.00 C ATOM 0 H PHE A 82 -3.815 -4.339 -12.734 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.655 -6.885 -11.494 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.210 -6.641 -14.156 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.816 -8.104 -13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.791 -4.992 -15.132 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.139 -8.722 -13.579 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.920 -4.719 -16.328 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.266 -8.454 -14.777 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.662 -6.451 -16.153 1.00 0.00 H new ATOM 1239 N MET A 83 -2.092 -7.588 -11.312 1.00 0.00 N ATOM 1240 CA MET A 83 -0.754 -7.757 -10.758 1.00 0.00 C ATOM 1241 C MET A 83 0.256 -6.889 -11.502 1.00 0.00 C ATOM 1242 O MET A 83 0.465 -7.054 -12.703 1.00 0.00 O ATOM 1243 CB MET A 83 -0.332 -9.226 -10.829 1.00 0.00 C ATOM 1244 CG MET A 83 0.953 -9.527 -10.075 1.00 0.00 C ATOM 1245 SD MET A 83 1.641 -11.141 -10.490 1.00 0.00 S ATOM 1246 CE MET A 83 3.214 -11.068 -9.637 1.00 0.00 C ATOM 0 H MET A 83 -2.604 -8.459 -11.452 1.00 0.00 H new ATOM 0 HA MET A 83 -0.777 -7.443 -9.715 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.133 -9.845 -10.426 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.205 -9.509 -11.874 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.689 -8.755 -10.297 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.759 -9.484 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.906 -11.779 -10.089 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.624 -10.061 -9.716 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.070 -11.320 -8.586 1.00 0.00 H new ATOM 1256 N GLY A 84 0.881 -5.965 -10.779 1.00 0.00 N ATOM 1257 CA GLY A 84 1.862 -5.085 -11.388 1.00 0.00 C ATOM 1258 C GLY A 84 1.498 -3.621 -11.239 1.00 0.00 C ATOM 1259 O GLY A 84 2.353 -2.790 -10.936 1.00 0.00 O ATOM 0 H GLY A 84 0.726 -5.810 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.837 -5.262 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.955 -5.327 -12.447 1.00 0.00 H new ATOM 1263 N ASN A 85 0.225 -3.304 -11.455 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.249 -1.929 -11.346 1.00 0.00 C ATOM 1265 C ASN A 85 -0.058 -1.399 -9.928 1.00 0.00 C ATOM 1266 O ASN A 85 0.192 -2.164 -8.997 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.725 -1.844 -11.740 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.915 -1.627 -13.229 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.152 -2.573 -13.980 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.811 -0.376 -13.661 1.00 0.00 N ATOM 0 H ASN A 85 -0.496 -3.980 -11.706 1.00 0.00 H new ATOM 0 HA ASN A 85 0.338 -1.313 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.231 -2.762 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.198 -1.028 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.929 -0.167 -14.652 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.613 0.377 -13.001 1.00 0.00 H new ATOM 1277 N SER A 86 -0.179 -0.084 -9.773 1.00 0.00 N ATOM 1278 CA SER A 86 -0.017 0.549 -8.470 1.00 0.00 C ATOM 1279 C SER A 86 -1.130 1.561 -8.215 1.00 0.00 C ATOM 1280 O SER A 86 -1.753 2.065 -9.150 1.00 0.00 O ATOM 1281 CB SER A 86 1.345 1.240 -8.381 1.00 0.00 C ATOM 1282 OG SER A 86 1.297 2.537 -8.949 1.00 0.00 O ATOM 0 H SER A 86 -0.389 0.563 -10.533 1.00 0.00 H new ATOM 0 HA SER A 86 -0.074 -0.228 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.654 1.308 -7.338 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.095 0.641 -8.898 1.00 0.00 H new ATOM 0 HG SER A 86 2.179 2.958 -8.878 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.376 1.853 -6.942 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.414 2.804 -6.563 1.00 0.00 C ATOM 1290 C PHE A 87 -2.269 3.213 -5.100 1.00 0.00 C ATOM 1291 O PHE A 87 -1.838 2.422 -4.262 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.800 2.199 -6.800 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.108 1.037 -5.900 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.516 1.245 -4.592 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.991 -0.264 -6.362 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.800 0.177 -3.762 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.274 -1.336 -5.536 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.680 -1.115 -4.235 1.00 0.00 C ATOM 0 H PHE A 87 -0.871 1.445 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.302 3.693 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.555 2.972 -6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.873 1.874 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.613 2.253 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.675 -0.443 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.116 0.353 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.178 -2.345 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.903 -1.951 -3.588 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.632 4.457 -4.800 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.534 4.951 -3.439 1.00 0.00 C ATOM 1310 C GLY A 88 -2.142 6.414 -3.380 1.00 0.00 C ATOM 1311 O GLY A 88 -2.980 7.296 -3.568 1.00 0.00 O ATOM 0 H GLY A 88 -2.992 5.131 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.491 4.814 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.800 4.359 -2.893 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.866 6.672 -3.117 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.365 8.039 -3.033 1.00 0.00 C ATOM 1317 C ILE A 89 0.893 8.216 -3.875 1.00 0.00 C ATOM 1318 O ILE A 89 1.458 7.245 -4.381 1.00 0.00 O ATOM 1319 CB ILE A 89 -0.055 8.436 -1.577 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.021 7.519 -0.993 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.319 8.383 -0.733 1.00 0.00 C ATOM 1322 CD1 ILE A 89 1.884 8.189 0.053 1.00 0.00 C ATOM 0 H ILE A 89 -0.160 5.953 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.151 8.688 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 89 0.322 9.459 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.542 6.645 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.658 7.159 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.084 8.666 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.057 9.074 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.723 7.371 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.624 7.480 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.392 9.046 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.259 8.525 0.880 1.00 0.00 H new ATOM 1334 N THR A 90 1.331 9.463 -4.021 1.00 0.00 N ATOM 1335 CA THR A 90 2.523 9.768 -4.802 1.00 0.00 C ATOM 1336 C THR A 90 3.719 10.036 -3.896 1.00 0.00 C ATOM 1337 O THR A 90 3.577 10.308 -2.704 1.00 0.00 O ATOM 1338 CB THR A 90 2.300 10.990 -5.713 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.320 11.859 -5.136 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.847 10.555 -7.099 1.00 0.00 C ATOM 0 H THR A 90 0.877 10.278 -3.608 1.00 0.00 H new ATOM 0 HA THR A 90 2.728 8.895 -5.421 1.00 0.00 H new ATOM 0 HB THR A 90 3.246 11.523 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.423 11.511 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.696 11.434 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.609 9.917 -7.547 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.911 10.001 -7.019 1.00 0.00 H new ATOM 1348 N PRO A 91 4.928 9.958 -4.472 1.00 0.00 N ATOM 1349 CA PRO A 91 6.173 10.190 -3.735 1.00 0.00 C ATOM 1350 C PRO A 91 6.348 11.652 -3.338 1.00 0.00 C ATOM 1351 O PRO A 91 7.377 12.036 -2.780 1.00 0.00 O ATOM 1352 CB PRO A 91 7.259 9.772 -4.730 1.00 0.00 C ATOM 1353 CG PRO A 91 6.632 9.950 -6.070 1.00 0.00 C ATOM 1354 CD PRO A 91 5.172 9.638 -5.889 1.00 0.00 C ATOM 0 HA PRO A 91 6.200 9.636 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.151 10.389 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.566 8.738 -4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.771 10.968 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.085 9.284 -6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.548 10.239 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.954 8.593 -6.108 1.00 0.00 H new ATOM 1362 N THR A 92 5.337 12.464 -3.628 1.00 0.00 N ATOM 1363 CA THR A 92 5.379 13.884 -3.302 1.00 0.00 C ATOM 1364 C THR A 92 4.631 14.174 -2.006 1.00 0.00 C ATOM 1365 O THR A 92 3.482 13.764 -1.836 1.00 0.00 O ATOM 1366 CB THR A 92 4.775 14.738 -4.433 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.350 14.593 -4.448 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.346 14.332 -5.783 1.00 0.00 C ATOM 0 H THR A 92 4.478 12.162 -4.088 1.00 0.00 H new ATOM 0 HA THR A 92 6.429 14.149 -3.178 1.00 0.00 H new ATOM 0 HB THR A 92 5.032 15.781 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.973 15.140 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.904 14.949 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.427 14.472 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.117 13.284 -5.975 1.00 0.00 H new ATOM 1376 N LEU A 93 5.288 14.882 -1.095 1.00 0.00 N ATOM 1377 CA LEU A 93 4.683 15.228 0.187 1.00 0.00 C ATOM 1378 C LEU A 93 3.237 15.677 0.004 1.00 0.00 C ATOM 1379 O LEU A 93 2.402 15.491 0.890 1.00 0.00 O ATOM 1380 CB LEU A 93 5.489 16.333 0.872 1.00 0.00 C ATOM 1381 CG LEU A 93 6.853 15.922 1.428 1.00 0.00 C ATOM 1382 CD1 LEU A 93 7.588 17.131 1.987 1.00 0.00 C ATOM 1383 CD2 LEU A 93 6.693 14.852 2.498 1.00 0.00 C ATOM 0 H LEU A 93 6.239 15.228 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 93 4.691 14.338 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.639 17.142 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.892 16.737 1.690 1.00 0.00 H new ATOM 0 HG LEU A 93 7.446 15.507 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.556 16.819 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.736 17.865 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.999 17.576 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.674 14.572 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.082 15.241 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.209 13.976 2.067 1.00 0.00 H new ATOM 1395 N ASP A 94 2.947 16.265 -1.151 1.00 0.00 N ATOM 1396 CA ASP A 94 1.601 16.738 -1.452 1.00 0.00 C ATOM 1397 C ASP A 94 0.553 15.755 -0.939 1.00 0.00 C ATOM 1398 O ASP A 94 0.636 14.553 -1.194 1.00 0.00 O ATOM 1399 CB ASP A 94 1.434 16.941 -2.959 1.00 0.00 C ATOM 1400 CG ASP A 94 2.321 18.046 -3.496 1.00 0.00 C ATOM 1401 OD1 ASP A 94 2.025 19.229 -3.226 1.00 0.00 O ATOM 1402 OD2 ASP A 94 3.312 17.728 -4.186 1.00 0.00 O ATOM 0 H ASP A 94 3.626 16.426 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 94 1.456 17.693 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.666 16.010 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.392 17.177 -3.178 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.432 16.274 -0.214 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.497 15.443 0.335 1.00 0.00 C ATOM 1409 C LYS A 95 -2.462 15.000 -0.760 1.00 0.00 C ATOM 1410 O LYS A 95 -2.712 15.736 -1.714 1.00 0.00 O ATOM 1411 CB LYS A 95 -2.259 16.207 1.421 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.683 16.020 2.814 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.566 17.011 3.094 1.00 0.00 C ATOM 1414 CE LYS A 95 -0.337 17.186 4.587 1.00 0.00 C ATOM 1415 NZ LYS A 95 0.702 18.214 4.873 1.00 0.00 N ATOM 0 H LYS A 95 -0.515 17.266 0.007 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.041 14.556 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.257 17.269 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.299 15.882 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.473 16.142 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.303 15.004 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.354 16.667 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.812 17.974 2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.273 17.473 5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.035 16.233 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.828 18.303 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.602 17.929 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.402 19.129 4.480 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.000 13.793 -0.616 1.00 0.00 N ATOM 1430 CA GLN A 96 -3.937 13.253 -1.593 1.00 0.00 C ATOM 1431 C GLN A 96 -5.049 12.467 -0.906 1.00 0.00 C ATOM 1432 O GLN A 96 -4.786 11.615 -0.057 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.204 12.355 -2.592 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.154 13.087 -3.412 1.00 0.00 C ATOM 1435 CD GLN A 96 -0.945 12.224 -3.715 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -0.998 11.338 -4.568 1.00 0.00 O ATOM 1437 NE2 GLN A 96 0.155 12.480 -3.017 1.00 0.00 N ATOM 0 H GLN A 96 -2.803 13.171 0.168 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.386 14.090 -2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.726 11.538 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.933 11.907 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.599 13.424 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.834 13.978 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.155 13.224 -2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.000 11.933 -3.178 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.290 12.760 -1.277 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.442 12.083 -0.694 1.00 0.00 C ATOM 1448 C TYR A 97 -8.076 11.124 -1.697 1.00 0.00 C ATOM 1449 O TYR A 97 -8.301 11.478 -2.854 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.478 13.107 -0.225 1.00 0.00 C ATOM 1451 CG TYR A 97 -7.871 14.319 0.444 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -6.968 14.180 1.491 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.201 15.603 0.029 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.412 15.286 2.105 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -7.649 16.714 0.638 1.00 0.00 C ATOM 1456 CZ TYR A 97 -6.756 16.550 1.675 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.203 17.654 2.284 1.00 0.00 O ATOM 0 H TYR A 97 -6.524 13.462 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.097 11.506 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.068 13.433 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.165 12.624 0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.696 13.191 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.901 15.735 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.712 15.161 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.916 17.705 0.303 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.549 18.468 1.862 1.00 0.00 H new ATOM 1467 N MET A 98 -8.361 9.908 -1.244 1.00 0.00 N ATOM 1468 CA MET A 98 -8.971 8.897 -2.100 1.00 0.00 C ATOM 1469 C MET A 98 -10.276 9.409 -2.700 1.00 0.00 C ATOM 1470 O MET A 98 -11.032 10.127 -2.046 1.00 0.00 O ATOM 1471 CB MET A 98 -9.228 7.614 -1.307 1.00 0.00 C ATOM 1472 CG MET A 98 -9.471 6.396 -2.184 1.00 0.00 C ATOM 1473 SD MET A 98 -7.958 5.775 -2.944 1.00 0.00 S ATOM 1474 CE MET A 98 -8.625 4.574 -4.093 1.00 0.00 C ATOM 0 H MET A 98 -8.179 9.599 -0.289 1.00 0.00 H new ATOM 0 HA MET A 98 -8.279 8.679 -2.913 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.374 7.420 -0.659 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.092 7.764 -0.660 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.923 5.606 -1.585 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.187 6.652 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.928 3.743 -4.196 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.579 4.203 -3.718 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.775 5.044 -5.065 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.535 9.035 -3.949 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.750 9.456 -4.637 1.00 0.00 C ATOM 1486 C HIS A 99 -12.530 8.249 -5.151 1.00 0.00 C ATOM 1487 O HIS A 99 -13.066 8.270 -6.259 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.407 10.389 -5.799 1.00 0.00 C ATOM 1489 CG HIS A 99 -10.813 11.693 -5.365 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.371 12.484 -4.382 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.703 12.344 -5.783 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -10.631 13.565 -4.217 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -9.612 13.505 -5.055 1.00 0.00 N ATOM 0 H HIS A 99 -9.920 8.441 -4.505 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.375 9.993 -3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.707 9.884 -6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.311 10.585 -6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.016 12.012 -6.547 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.826 14.363 -3.516 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.877 14.207 -5.147 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.588 7.198 -4.339 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.303 5.997 -4.730 1.00 0.00 C ATOM 1504 C GLY A 100 -13.151 4.878 -3.719 1.00 0.00 C ATOM 1505 O GLY A 100 -12.471 5.036 -2.705 1.00 0.00 O ATOM 0 H GLY A 100 -12.153 7.157 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.361 6.231 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.937 5.659 -5.699 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.787 3.744 -3.995 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.720 2.594 -3.101 1.00 0.00 C ATOM 1511 C ILE A 101 -13.039 1.411 -3.779 1.00 0.00 C ATOM 1512 O ILE A 101 -13.493 0.930 -4.817 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.122 2.164 -2.631 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.784 3.290 -1.833 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -15.034 0.896 -1.795 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.293 3.199 -1.796 1.00 0.00 C ATOM 0 H ILE A 101 -14.354 3.597 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.134 2.901 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.735 1.956 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.402 3.274 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.497 4.248 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.033 0.604 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.599 0.095 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.407 1.078 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.693 4.029 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.685 3.246 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.589 2.256 -1.336 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.946 0.944 -3.184 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.202 -0.186 -3.728 1.00 0.00 C ATOM 1530 C VAL A 102 -11.673 -1.500 -3.115 1.00 0.00 C ATOM 1531 O VAL A 102 -11.981 -1.567 -1.925 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.689 -0.032 -3.485 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.906 -0.997 -4.363 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.253 1.404 -3.737 1.00 0.00 C ATOM 0 H VAL A 102 -11.556 1.331 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.390 -0.201 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.479 -0.274 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.839 -0.874 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.199 -2.021 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.118 -0.789 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.181 1.495 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.475 1.676 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.790 2.071 -3.062 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.725 -2.545 -3.935 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.159 -3.858 -3.474 1.00 0.00 C ATOM 1546 C ARG A 103 -11.504 -4.966 -4.293 1.00 0.00 C ATOM 1547 O ARG A 103 -11.508 -4.929 -5.524 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.682 -3.976 -3.562 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.420 -3.068 -2.592 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.771 -3.649 -2.203 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.681 -2.627 -1.694 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.949 -2.863 -1.379 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.455 -4.080 -1.520 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.714 -1.880 -0.922 1.00 0.00 N ATOM 0 H ARG A 103 -11.472 -2.507 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.853 -3.969 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.998 -3.741 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.970 -5.010 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.815 -2.921 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.562 -2.087 -3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.220 -4.135 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.630 -4.419 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.323 -1.680 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.870 -4.838 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.429 -4.258 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.328 -0.942 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.688 -2.062 -0.680 1.00 0.00 H new ATOM 1568 N THR A 104 -10.940 -5.952 -3.602 1.00 0.00 N ATOM 1569 CA THR A 104 -10.280 -7.069 -4.265 1.00 0.00 C ATOM 1570 C THR A 104 -11.251 -7.829 -5.161 1.00 0.00 C ATOM 1571 O THR A 104 -12.464 -7.629 -5.090 1.00 0.00 O ATOM 1572 CB THR A 104 -9.670 -8.047 -3.243 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.681 -8.504 -2.338 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.546 -7.382 -2.462 1.00 0.00 C ATOM 0 H THR A 104 -10.927 -5.999 -2.583 1.00 0.00 H new ATOM 0 HA THR A 104 -9.482 -6.647 -4.875 1.00 0.00 H new ATOM 0 HB THR A 104 -9.259 -8.897 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.285 -9.127 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.131 -8.092 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.764 -7.062 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.937 -6.516 -1.928 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.711 -8.703 -6.003 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.530 -9.496 -6.913 1.00 0.00 C ATOM 1584 C LYS A 105 -11.445 -10.979 -6.569 1.00 0.00 C ATOM 1585 O LYS A 105 -12.375 -11.742 -6.832 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.085 -9.270 -8.360 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.571 -7.957 -8.948 1.00 0.00 C ATOM 1588 CD LYS A 105 -12.958 -8.095 -9.552 1.00 0.00 C ATOM 1589 CE LYS A 105 -12.925 -8.888 -10.849 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.177 -8.717 -11.636 1.00 0.00 N ATOM 0 H LYS A 105 -9.709 -8.881 -6.075 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.566 -9.175 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.996 -9.298 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.450 -10.092 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.586 -7.193 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.872 -7.619 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.619 -8.589 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.374 -7.105 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.073 -8.568 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.778 -9.945 -10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.115 -9.273 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.988 -9.046 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.304 -7.712 -11.872 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.324 -11.382 -5.978 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.119 -12.774 -5.596 1.00 0.00 C ATOM 1606 C VAL A 106 -9.543 -12.878 -4.188 1.00 0.00 C ATOM 1607 O VAL A 106 -9.357 -11.870 -3.506 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.176 -13.493 -6.579 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.745 -13.457 -7.989 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.789 -12.868 -6.539 1.00 0.00 C ATOM 0 H VAL A 106 -9.544 -10.764 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.096 -13.257 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.089 -14.536 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.065 -13.970 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.715 -13.954 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.864 -12.421 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.135 -13.388 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.856 -11.816 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.381 -12.952 -5.532 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.263 -14.103 -3.759 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.707 -14.340 -2.431 1.00 0.00 C ATOM 1622 C ASP A 107 -7.189 -14.481 -2.496 1.00 0.00 C ATOM 1623 O ASP A 107 -6.609 -14.573 -3.578 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.322 -15.596 -1.814 1.00 0.00 C ATOM 1625 CG ASP A 107 -8.855 -16.866 -2.497 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -9.296 -17.123 -3.638 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -8.049 -17.603 -1.892 1.00 0.00 O ATOM 0 H ASP A 107 -9.412 -14.948 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.948 -13.482 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.065 -15.641 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.408 -15.533 -1.875 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.552 -14.495 -1.330 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.101 -14.625 -1.254 1.00 0.00 C ATOM 1634 C ASP A 108 -4.414 -13.529 -2.062 1.00 0.00 C ATOM 1635 O ASP A 108 -3.515 -13.802 -2.859 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.663 -16.000 -1.760 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.370 -16.467 -1.122 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.415 -16.939 0.034 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.313 -16.361 -1.778 1.00 0.00 O ATOM 0 H ASP A 108 -7.017 -14.418 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.806 -14.520 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.449 -16.727 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.538 -15.963 -2.842 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.844 -12.289 -1.853 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.271 -11.151 -2.564 1.00 0.00 C ATOM 1646 C CYS A 109 -3.173 -10.490 -1.738 1.00 0.00 C ATOM 1647 O CYS A 109 -3.339 -10.260 -0.540 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.361 -10.131 -2.897 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.408 -10.599 -4.295 1.00 0.00 S ATOM 0 H CYS A 109 -5.587 -12.046 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.831 -11.517 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.990 -9.987 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.892 -9.171 -3.114 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.530 -11.084 -3.853 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.053 -10.189 -2.385 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.927 -9.556 -1.709 1.00 0.00 C ATOM 1657 C GLN A 110 -0.882 -8.061 -2.007 1.00 0.00 C ATOM 1658 O GLN A 110 -1.237 -7.625 -3.103 1.00 0.00 O ATOM 1659 CB GLN A 110 0.387 -10.213 -2.137 1.00 0.00 C ATOM 1660 CG GLN A 110 0.535 -11.647 -1.656 1.00 0.00 C ATOM 1661 CD GLN A 110 1.811 -12.300 -2.150 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.484 -11.779 -3.040 1.00 0.00 O ATOM 1663 NE2 GLN A 110 2.151 -13.447 -1.575 1.00 0.00 N ATOM 0 H GLN A 110 -1.901 -10.373 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.060 -9.690 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.455 -10.195 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.220 -9.623 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.521 -11.664 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.322 -12.230 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.564 -13.843 -0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.999 -13.932 -1.867 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.445 -7.279 -1.025 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.356 -5.832 -1.182 1.00 0.00 C ATOM 1674 C PHE A 111 0.709 -5.250 -0.257 1.00 0.00 C ATOM 1675 O PHE A 111 0.841 -5.664 0.895 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.710 -5.182 -0.894 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.826 -5.719 -1.744 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.949 -5.338 -3.070 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.752 -6.604 -1.217 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.975 -5.830 -3.855 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.781 -7.100 -1.996 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.891 -6.713 -3.317 1.00 0.00 C ATOM 0 H PHE A 111 -0.147 -7.623 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.072 -5.620 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.960 -5.332 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.629 -4.107 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.235 -4.648 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.669 -6.910 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.060 -5.524 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.497 -7.789 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.692 -7.100 -3.929 1.00 0.00 H new ATOM 1692 N VAL A 112 1.466 -4.285 -0.770 1.00 0.00 N ATOM 1693 CA VAL A 112 2.519 -3.644 0.009 1.00 0.00 C ATOM 1694 C VAL A 112 2.129 -2.221 0.394 1.00 0.00 C ATOM 1695 O VAL A 112 1.372 -1.560 -0.317 1.00 0.00 O ATOM 1696 CB VAL A 112 3.849 -3.608 -0.767 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.825 -2.508 -1.817 1.00 0.00 C ATOM 1698 CG2 VAL A 112 5.018 -3.419 0.189 1.00 0.00 C ATOM 0 H VAL A 112 1.370 -3.930 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 112 2.651 -4.239 0.913 1.00 0.00 H new ATOM 0 HB VAL A 112 3.978 -4.562 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.773 -2.498 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.011 -2.692 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.673 -1.544 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.950 -3.396 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.898 -2.480 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.045 -4.246 0.899 1.00 0.00 H new ATOM 1708 N CYS A 113 2.651 -1.756 1.524 1.00 0.00 N ATOM 1709 CA CYS A 113 2.357 -0.411 2.004 1.00 0.00 C ATOM 1710 C CYS A 113 3.643 0.352 2.306 1.00 0.00 C ATOM 1711 O CYS A 113 4.640 -0.235 2.728 1.00 0.00 O ATOM 1712 CB CYS A 113 1.481 -0.474 3.256 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.294 -0.516 2.915 1.00 0.00 S ATOM 0 H CYS A 113 3.279 -2.290 2.124 1.00 0.00 H new ATOM 0 HA CYS A 113 1.818 0.119 1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.751 -1.360 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.699 0.391 3.883 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.794 -1.633 3.353 1.00 0.00 H new ATOM 1719 N ILE A 114 3.613 1.662 2.085 1.00 0.00 N ATOM 1720 CA ILE A 114 4.777 2.504 2.333 1.00 0.00 C ATOM 1721 C ILE A 114 4.360 3.895 2.798 1.00 0.00 C ATOM 1722 O ILE A 114 3.686 4.627 2.074 1.00 0.00 O ATOM 1723 CB ILE A 114 5.653 2.638 1.073 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.204 1.271 0.662 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.788 3.620 1.320 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.681 1.219 -0.773 1.00 0.00 C ATOM 0 H ILE A 114 2.796 2.163 1.735 1.00 0.00 H new ATOM 0 HA ILE A 114 5.356 2.019 3.119 1.00 0.00 H new ATOM 0 HB ILE A 114 5.038 3.021 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.031 1.008 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.430 0.518 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.398 3.704 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.375 4.597 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.405 3.263 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.058 0.221 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.851 1.450 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.478 1.949 -0.918 1.00 0.00 H new ATOM 1738 N ALA A 115 4.766 4.254 4.012 1.00 0.00 N ATOM 1739 CA ALA A 115 4.438 5.558 4.573 1.00 0.00 C ATOM 1740 C ALA A 115 4.821 6.680 3.614 1.00 0.00 C ATOM 1741 O ALA A 115 5.878 6.636 2.984 1.00 0.00 O ATOM 1742 CB ALA A 115 5.133 5.746 5.913 1.00 0.00 C ATOM 0 H ALA A 115 5.323 3.659 4.626 1.00 0.00 H new ATOM 0 HA ALA A 115 3.360 5.599 4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.879 6.725 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.807 4.969 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.212 5.679 5.776 1.00 0.00 H new ATOM 1748 N GLN A 116 3.956 7.684 3.508 1.00 0.00 N ATOM 1749 CA GLN A 116 4.204 8.816 2.624 1.00 0.00 C ATOM 1750 C GLN A 116 5.605 9.379 2.841 1.00 0.00 C ATOM 1751 O GLN A 116 6.400 9.466 1.906 1.00 0.00 O ATOM 1752 CB GLN A 116 3.161 9.910 2.856 1.00 0.00 C ATOM 1753 CG GLN A 116 3.525 11.243 2.222 1.00 0.00 C ATOM 1754 CD GLN A 116 2.427 12.278 2.368 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.157 12.763 3.467 1.00 0.00 O ATOM 1756 NE2 GLN A 116 1.787 12.624 1.257 1.00 0.00 N ATOM 0 H GLN A 116 3.077 7.736 4.024 1.00 0.00 H new ATOM 0 HA GLN A 116 4.128 8.464 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.203 9.577 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.028 10.052 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.439 11.621 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.738 11.092 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.043 12.197 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.039 13.317 1.294 1.00 0.00 H new ATOM 1765 N GLN A 117 5.899 9.759 4.080 1.00 0.00 N ATOM 1766 CA GLN A 117 7.204 10.315 4.419 1.00 0.00 C ATOM 1767 C GLN A 117 8.323 9.521 3.753 1.00 0.00 C ATOM 1768 O GLN A 117 9.026 10.031 2.880 1.00 0.00 O ATOM 1769 CB GLN A 117 7.401 10.322 5.935 1.00 0.00 C ATOM 1770 CG GLN A 117 6.832 11.556 6.617 1.00 0.00 C ATOM 1771 CD GLN A 117 5.480 11.958 6.061 1.00 0.00 C ATOM 1772 OE1 GLN A 117 4.513 11.200 6.139 1.00 0.00 O ATOM 1773 NE2 GLN A 117 5.405 13.158 5.496 1.00 0.00 N ATOM 0 H GLN A 117 5.252 9.692 4.866 1.00 0.00 H new ATOM 0 HA GLN A 117 7.241 11.340 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.931 9.434 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.466 10.254 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.739 11.365 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.530 12.385 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.232 13.754 5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.521 13.483 5.105 1.00 0.00 H new ATOM 1782 N ASP A 118 8.483 8.269 4.170 1.00 0.00 N ATOM 1783 CA ASP A 118 9.517 7.404 3.613 1.00 0.00 C ATOM 1784 C ASP A 118 9.456 7.397 2.089 1.00 0.00 C ATOM 1785 O ASP A 118 10.484 7.491 1.416 1.00 0.00 O ATOM 1786 CB ASP A 118 9.362 5.980 4.149 1.00 0.00 C ATOM 1787 CG ASP A 118 9.469 5.915 5.660 1.00 0.00 C ATOM 1788 OD1 ASP A 118 10.604 5.814 6.171 1.00 0.00 O ATOM 1789 OD2 ASP A 118 8.417 5.966 6.331 1.00 0.00 O ATOM 0 H ASP A 118 7.910 7.831 4.891 1.00 0.00 H new ATOM 0 HA ASP A 118 10.488 7.795 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.396 5.581 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.127 5.343 3.706 1.00 0.00 H new ATOM 1794 N TYR A 119 8.247 7.284 1.550 1.00 0.00 N ATOM 1795 CA TYR A 119 8.053 7.260 0.105 1.00 0.00 C ATOM 1796 C TYR A 119 8.705 8.473 -0.551 1.00 0.00 C ATOM 1797 O TYR A 119 9.229 8.385 -1.662 1.00 0.00 O ATOM 1798 CB TYR A 119 6.561 7.226 -0.229 1.00 0.00 C ATOM 1799 CG TYR A 119 6.262 6.680 -1.608 1.00 0.00 C ATOM 1800 CD1 TYR A 119 6.885 5.527 -2.069 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.359 7.318 -2.448 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.616 5.025 -3.328 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.083 6.823 -3.708 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.714 5.676 -4.143 1.00 0.00 C ATOM 1805 OH TYR A 119 5.442 5.180 -5.398 1.00 0.00 O ATOM 0 H TYR A 119 7.386 7.208 2.092 1.00 0.00 H new ATOM 0 HA TYR A 119 8.527 6.359 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.045 6.618 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.157 8.235 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.591 5.014 -1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.864 8.217 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.109 4.128 -3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.377 7.331 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 119 5.103 4.264 -5.321 1.00 0.00 H new ATOM 1815 N TRP A 120 8.669 9.604 0.144 1.00 0.00 N ATOM 1816 CA TRP A 120 9.257 10.836 -0.371 1.00 0.00 C ATOM 1817 C TRP A 120 10.672 11.028 0.163 1.00 0.00 C ATOM 1818 O TRP A 120 11.321 12.036 -0.121 1.00 0.00 O ATOM 1819 CB TRP A 120 8.389 12.037 0.008 1.00 0.00 C ATOM 1820 CG TRP A 120 9.067 13.354 -0.216 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.184 14.025 -1.400 1.00 0.00 C ATOM 1822 CD2 TRP A 120 9.722 14.160 0.770 1.00 0.00 C ATOM 1823 NE1 TRP A 120 9.873 15.199 -1.209 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.213 15.305 0.113 1.00 0.00 C ATOM 1825 CE3 TRP A 120 9.940 14.026 2.144 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 10.909 16.307 0.785 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 10.630 15.021 2.809 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.108 16.150 2.129 1.00 0.00 C ATOM 0 H TRP A 120 8.239 9.694 1.065 1.00 0.00 H new ATOM 0 HA TRP A 120 9.305 10.760 -1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.467 12.008 -0.573 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.107 11.956 1.058 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.793 13.683 -2.347 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.095 15.881 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.575 13.160 2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.279 17.177 0.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 10.804 14.928 3.871 1.00 0.00 H new ATOM 0 HH2 TRP A 120 11.644 16.911 2.677 1.00 0.00 H new ATOM 1839 N ARG A 121 11.146 10.056 0.936 1.00 0.00 N ATOM 1840 CA ARG A 121 12.484 10.120 1.510 1.00 0.00 C ATOM 1841 C ARG A 121 13.468 9.290 0.690 1.00 0.00 C ATOM 1842 O ARG A 121 14.682 9.468 0.793 1.00 0.00 O ATOM 1843 CB ARG A 121 12.466 9.625 2.958 1.00 0.00 C ATOM 1844 CG ARG A 121 13.655 10.099 3.778 1.00 0.00 C ATOM 1845 CD ARG A 121 13.761 9.342 5.093 1.00 0.00 C ATOM 1846 NE ARG A 121 12.550 9.471 5.898 1.00 0.00 N ATOM 1847 CZ ARG A 121 12.228 10.572 6.570 1.00 0.00 C ATOM 1848 NH1 ARG A 121 13.023 11.632 6.531 1.00 0.00 N ATOM 1849 NH2 ARG A 121 11.108 10.613 7.281 1.00 0.00 N ATOM 0 H ARG A 121 10.623 9.215 1.179 1.00 0.00 H new ATOM 0 HA ARG A 121 12.810 11.160 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.547 9.963 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.445 8.535 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.572 9.964 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 121 13.559 11.166 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 121 13.951 8.288 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 121 14.614 9.716 5.659 1.00 0.00 H new ATOM 0 HE ARG A 121 11.917 8.673 5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.884 11.604 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.774 12.476 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.494 9.799 7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 121 10.862 11.458 7.796 1.00 0.00 H new ATOM 1863 N ILE A 122 12.935 8.384 -0.123 1.00 0.00 N ATOM 1864 CA ILE A 122 13.765 7.528 -0.960 1.00 0.00 C ATOM 1865 C ILE A 122 13.842 8.061 -2.387 1.00 0.00 C ATOM 1866 O ILE A 122 14.883 8.556 -2.821 1.00 0.00 O ATOM 1867 CB ILE A 122 13.231 6.083 -0.993 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.040 5.555 0.431 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.179 5.186 -1.774 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.408 4.182 0.486 1.00 0.00 C ATOM 0 H ILE A 122 11.932 8.224 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 122 14.762 7.529 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 122 12.263 6.079 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.008 5.521 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.418 6.255 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.788 4.169 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.270 5.554 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.160 5.191 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.303 3.871 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.425 4.215 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.040 3.469 -0.044 1.00 0.00 H new ATOM 1882 N LEU A 123 12.733 7.960 -3.111 1.00 0.00 N ATOM 1883 CA LEU A 123 12.673 8.434 -4.489 1.00 0.00 C ATOM 1884 C LEU A 123 13.300 9.819 -4.616 1.00 0.00 C ATOM 1885 O LEU A 123 14.008 10.104 -5.581 1.00 0.00 O ATOM 1886 CB LEU A 123 11.223 8.473 -4.974 1.00 0.00 C ATOM 1887 CG LEU A 123 10.605 7.126 -5.351 1.00 0.00 C ATOM 1888 CD1 LEU A 123 9.931 6.491 -4.144 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.612 7.295 -6.491 1.00 0.00 C ATOM 0 H LEU A 123 11.863 7.554 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 123 13.239 7.740 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.612 8.925 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.169 9.131 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 123 11.403 6.463 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.497 5.533 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.668 6.334 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.144 7.151 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.182 6.326 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.817 7.975 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.124 7.705 -7.362 1.00 0.00 H new ATOM 1901 N ASN A 124 13.037 10.674 -3.634 1.00 0.00 N ATOM 1902 CA ASN A 124 13.577 12.029 -3.635 1.00 0.00 C ATOM 1903 C ASN A 124 15.051 12.027 -3.239 1.00 0.00 C ATOM 1904 O ASN A 124 15.654 10.970 -3.056 1.00 0.00 O ATOM 1905 CB ASN A 124 12.781 12.919 -2.679 1.00 0.00 C ATOM 1906 CG ASN A 124 11.334 13.075 -3.104 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.938 14.117 -3.628 1.00 0.00 O ATOM 1908 ND2 ASN A 124 10.536 12.038 -2.879 1.00 0.00 N ATOM 0 H ASN A 124 12.453 10.453 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 124 13.491 12.427 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.818 12.494 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.249 13.902 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.552 12.085 -3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.907 11.194 -2.442 1.00 0.00 H new ATOM 1915 N HIS A 125 15.624 13.220 -3.108 1.00 0.00 N ATOM 1916 CA HIS A 125 17.027 13.356 -2.732 1.00 0.00 C ATOM 1917 C HIS A 125 17.160 14.017 -1.363 1.00 0.00 C ATOM 1918 O HIS A 125 17.669 15.133 -1.248 1.00 0.00 O ATOM 1919 CB HIS A 125 17.781 14.173 -3.782 1.00 0.00 C ATOM 1920 CG HIS A 125 17.349 13.887 -5.187 1.00 0.00 C ATOM 1921 ND1 HIS A 125 18.014 13.006 -6.014 1.00 0.00 N ATOM 1922 CD2 HIS A 125 16.311 14.369 -5.910 1.00 0.00 C ATOM 1923 CE1 HIS A 125 17.405 12.960 -7.185 1.00 0.00 C ATOM 1924 NE2 HIS A 125 16.368 13.778 -7.148 1.00 0.00 N ATOM 0 H HIS A 125 15.139 14.105 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 125 17.462 12.358 -2.678 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.639 15.234 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.848 13.971 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.575 15.085 -5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.704 12.356 -8.029 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.716 13.944 -7.915 1.00 0.00 H new