USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 57 THR OG1 : rot -17:sc= 0.833 USER MOD Set 1.2: A 94 THR OG1 : rot 83:sc= 0.955 USER MOD Single : A 15 MET CE :methyl -179:sc= 0 (180deg=-6.21e-05) USER MOD Single : A 20 ASN : amide:sc= 0.177 X(o=0.18,f=-0.19) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 ASN : amide:sc=-0.00648 X(o=-0.0065,f=-0.22) USER MOD Single : A 28 SER OG : rot 140:sc= 0.0461 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.59) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -69:sc= 0.961 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.02 K(o=-1,f=-0.032) USER MOD Single : A 50 TYR OH : rot 30:sc= 0.0057 USER MOD Single : A 53 TYR OH : rot 28:sc= 0.207 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00468 USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 1.28 (180deg=-0.319) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.0088) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.667 (180deg=-1.96) USER MOD Single : A 91 SER OG : rot 86:sc= 0.728 USER MOD Single : A 92 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.011) USER MOD Single : A 93 TYR OH : rot 172:sc= 1.56 USER MOD Single : A 96 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.45) USER MOD Single : A 101 ASN : amide:sc= -0.291 K(o=-0.29,f=-7.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 70:sc= 1.71 USER MOD Single : A 115 ASN : amide:sc= 0.126 X(o=0.13,f=-0.1) USER MOD Single : A 116 THR OG1 : rot -170:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.078 -16.711 9.146 1.00 0.00 N ATOM 129 CA LEU A 13 4.726 -16.034 7.878 1.00 0.00 C ATOM 130 C LEU A 13 3.265 -16.078 7.354 1.00 0.00 C ATOM 131 O LEU A 13 2.622 -17.124 7.370 1.00 0.00 O ATOM 132 CB LEU A 13 5.670 -16.534 6.770 1.00 0.00 C ATOM 133 CG LEU A 13 7.130 -16.065 6.906 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.049 -16.774 5.913 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.268 -14.556 6.676 1.00 0.00 C ATOM 0 HA LEU A 13 4.842 -14.982 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.652 -17.624 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.285 -16.201 5.806 1.00 0.00 H new ATOM 0 HG LEU A 13 7.425 -16.313 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.070 -16.415 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.017 -17.849 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.716 -16.565 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.313 -14.266 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.922 -14.308 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.667 -14.020 7.410 1.00 0.00 H new ATOM 147 N PRO A 14 2.745 -14.974 6.776 1.00 0.00 N ATOM 148 CA PRO A 14 1.394 -14.927 6.206 1.00 0.00 C ATOM 149 C PRO A 14 1.257 -15.845 4.981 1.00 0.00 C ATOM 150 O PRO A 14 2.258 -16.153 4.328 1.00 0.00 O ATOM 151 CB PRO A 14 1.161 -13.474 5.790 1.00 0.00 C ATOM 152 CG PRO A 14 2.561 -12.954 5.565 1.00 0.00 C ATOM 153 CD PRO A 14 3.420 -13.705 6.563 1.00 0.00 C ATOM 0 HA PRO A 14 0.664 -15.272 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.555 -13.405 4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.641 -12.911 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.891 -13.137 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.614 -11.878 5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.428 -13.856 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.515 -13.149 7.496 1.00 0.00 H new ATOM 161 N MET A 15 0.016 -16.188 4.615 1.00 0.00 N ATOM 162 CA MET A 15 -0.297 -17.223 3.627 1.00 0.00 C ATOM 163 C MET A 15 -1.198 -16.778 2.474 1.00 0.00 C ATOM 164 O MET A 15 -1.147 -17.409 1.417 1.00 0.00 O ATOM 165 CB MET A 15 -0.997 -18.396 4.322 1.00 0.00 C ATOM 166 CG MET A 15 -0.101 -19.112 5.330 1.00 0.00 C ATOM 167 SD MET A 15 -0.333 -20.905 5.351 1.00 0.00 S ATOM 168 CE MET A 15 -2.059 -21.045 5.873 1.00 0.00 C ATOM 0 H MET A 15 -0.814 -15.744 5.007 1.00 0.00 H new ATOM 0 HA MET A 15 0.666 -17.492 3.194 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.888 -18.030 4.832 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.331 -19.110 3.569 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.941 -18.891 5.100 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.299 -18.716 6.326 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.333 -22.098 5.946 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.185 -20.569 6.845 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.701 -20.553 5.142 1.00 0.00 H new ATOM 178 N VAL A 16 -2.050 -15.766 2.658 1.00 0.00 N ATOM 179 CA VAL A 16 -2.986 -15.273 1.642 1.00 0.00 C ATOM 180 C VAL A 16 -3.076 -13.738 1.679 1.00 0.00 C ATOM 181 O VAL A 16 -2.547 -13.099 2.599 1.00 0.00 O ATOM 182 CB VAL A 16 -4.370 -15.967 1.737 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.305 -17.467 1.404 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.143 -15.779 3.039 1.00 0.00 C ATOM 0 H VAL A 16 -2.110 -15.254 3.538 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.592 -15.543 0.662 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.936 -15.431 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.301 -17.901 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.935 -17.598 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.633 -17.966 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.092 -16.312 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.557 -16.172 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.333 -14.718 3.199 1.00 0.00 H new ATOM 194 N ALA A 17 -3.718 -13.151 0.667 1.00 0.00 N ATOM 195 CA ALA A 17 -3.941 -11.727 0.471 1.00 0.00 C ATOM 196 C ALA A 17 -5.416 -11.384 0.761 1.00 0.00 C ATOM 197 O ALA A 17 -6.257 -12.291 0.787 1.00 0.00 O ATOM 198 CB ALA A 17 -3.598 -11.391 -0.985 1.00 0.00 C ATOM 0 H ALA A 17 -4.123 -13.703 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.315 -11.146 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.757 -10.327 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.555 -11.639 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.239 -11.968 -1.652 1.00 0.00 H new ATOM 204 N PRO A 18 -5.752 -10.096 0.976 1.00 0.00 N ATOM 205 CA PRO A 18 -7.106 -9.707 1.352 1.00 0.00 C ATOM 206 C PRO A 18 -8.146 -9.998 0.266 1.00 0.00 C ATOM 207 O PRO A 18 -7.833 -10.037 -0.930 1.00 0.00 O ATOM 208 CB PRO A 18 -7.058 -8.223 1.683 1.00 0.00 C ATOM 209 CG PRO A 18 -5.636 -7.744 1.427 1.00 0.00 C ATOM 210 CD PRO A 18 -4.835 -8.966 0.999 1.00 0.00 C ATOM 0 HA PRO A 18 -7.427 -10.300 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.766 -7.669 1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.339 -8.052 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.619 -6.979 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.210 -7.297 2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.392 -8.810 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.015 -9.150 1.693 1.00 0.00 H new ATOM 218 N GLY A 19 -9.407 -10.132 0.682 1.00 0.00 N ATOM 219 CA GLY A 19 -10.521 -10.314 -0.234 1.00 0.00 C ATOM 220 C GLY A 19 -10.875 -9.000 -0.937 1.00 0.00 C ATOM 221 O GLY A 19 -10.421 -7.926 -0.530 1.00 0.00 O ATOM 0 H GLY A 19 -9.679 -10.117 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.266 -11.070 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.389 -10.683 0.312 1.00 0.00 H new ATOM 225 N ASN A 20 -11.694 -9.116 -1.990 1.00 0.00 N ATOM 226 CA ASN A 20 -11.946 -8.162 -3.074 1.00 0.00 C ATOM 227 C ASN A 20 -11.596 -6.706 -2.760 1.00 0.00 C ATOM 228 O ASN A 20 -12.399 -5.946 -2.222 1.00 0.00 O ATOM 229 CB ASN A 20 -13.353 -8.334 -3.687 1.00 0.00 C ATOM 230 CG ASN A 20 -14.541 -8.179 -2.744 1.00 0.00 C ATOM 231 OD1 ASN A 20 -15.214 -9.145 -2.407 1.00 0.00 O ATOM 232 ND2 ASN A 20 -14.855 -6.973 -2.319 1.00 0.00 N ATOM 0 H ASN A 20 -12.250 -9.962 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.226 -8.429 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.463 -7.608 -4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.407 -9.324 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.661 -6.841 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.293 -6.170 -2.601 1.00 0.00 H new ATOM 239 N VAL A 21 -10.390 -6.287 -3.133 1.00 0.00 N ATOM 240 CA VAL A 21 -9.954 -4.925 -2.905 1.00 0.00 C ATOM 241 C VAL A 21 -10.830 -3.989 -3.726 1.00 0.00 C ATOM 242 O VAL A 21 -11.033 -4.192 -4.928 1.00 0.00 O ATOM 243 CB VAL A 21 -8.459 -4.791 -3.228 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.938 -3.380 -2.924 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.690 -5.774 -2.332 1.00 0.00 C ATOM 0 H VAL A 21 -9.700 -6.878 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.066 -4.649 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.316 -4.997 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.877 -3.324 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.485 -2.653 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.082 -3.159 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.623 -5.699 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.872 -5.531 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.029 -6.790 -2.533 1.00 0.00 H new ATOM 255 N ARG A 22 -11.351 -2.955 -3.079 1.00 0.00 N ATOM 256 CA ARG A 22 -12.044 -1.844 -3.725 1.00 0.00 C ATOM 257 C ARG A 22 -11.276 -0.574 -3.420 1.00 0.00 C ATOM 258 O ARG A 22 -10.451 -0.557 -2.517 1.00 0.00 O ATOM 259 CB ARG A 22 -13.506 -1.765 -3.255 1.00 0.00 C ATOM 260 CG ARG A 22 -14.136 -3.163 -3.178 1.00 0.00 C ATOM 261 CD ARG A 22 -15.657 -3.123 -3.112 1.00 0.00 C ATOM 262 NE ARG A 22 -16.249 -4.439 -3.412 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.294 -5.039 -4.612 1.00 0.00 C ATOM 264 NH1 ARG A 22 -15.984 -4.379 -5.722 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.614 -6.323 -4.719 1.00 0.00 N ATOM 0 H ARG A 22 -11.303 -2.862 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.079 -1.990 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.552 -1.287 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.079 -1.141 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.830 -3.743 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.752 -3.681 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.970 -2.801 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.033 -2.385 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.666 -4.944 -2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.706 -3.399 -5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.024 -4.852 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.830 -6.866 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.644 -6.766 -5.637 1.00 0.00 H new ATOM 279 N VAL A 23 -11.479 0.483 -4.185 1.00 0.00 N ATOM 280 CA VAL A 23 -10.936 1.796 -3.900 1.00 0.00 C ATOM 281 C VAL A 23 -11.942 2.823 -4.391 1.00 0.00 C ATOM 282 O VAL A 23 -12.536 2.648 -5.462 1.00 0.00 O ATOM 283 CB VAL A 23 -9.492 1.902 -4.457 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.172 0.905 -5.574 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.951 3.296 -4.783 1.00 0.00 C ATOM 0 H VAL A 23 -12.037 0.451 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.807 1.992 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.931 1.611 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.143 1.048 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.295 -0.112 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.849 1.068 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.933 3.212 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.582 3.764 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.953 3.907 -3.880 1.00 0.00 H new ATOM 295 N ASN A 24 -12.167 3.873 -3.618 1.00 0.00 N ATOM 296 CA ASN A 24 -12.930 5.033 -4.046 1.00 0.00 C ATOM 297 C ASN A 24 -12.103 6.295 -3.892 1.00 0.00 C ATOM 298 O ASN A 24 -11.646 6.592 -2.790 1.00 0.00 O ATOM 299 CB ASN A 24 -14.255 5.189 -3.310 1.00 0.00 C ATOM 300 CG ASN A 24 -14.866 6.487 -3.805 1.00 0.00 C ATOM 301 OD1 ASN A 24 -14.989 6.688 -5.016 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.123 7.404 -2.902 1.00 0.00 N ATOM 0 H ASN A 24 -11.819 3.944 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.170 4.870 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.915 4.346 -3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.100 5.219 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.439 8.330 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.007 7.191 -1.911 1.00 0.00 H new ATOM 309 N VAL A 25 -11.950 7.066 -4.957 1.00 0.00 N ATOM 310 CA VAL A 25 -11.429 8.420 -4.870 1.00 0.00 C ATOM 311 C VAL A 25 -12.470 9.317 -4.196 1.00 0.00 C ATOM 312 O VAL A 25 -13.438 9.750 -4.827 1.00 0.00 O ATOM 313 CB VAL A 25 -10.957 8.922 -6.236 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.382 10.328 -6.078 1.00 0.00 C ATOM 315 CG2 VAL A 25 -9.882 7.977 -6.787 1.00 0.00 C ATOM 0 H VAL A 25 -12.183 6.771 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.537 8.441 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.796 8.948 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.043 10.694 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.152 10.994 -5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.540 10.301 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.547 8.336 -7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.036 7.948 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.298 6.975 -6.893 1.00 0.00 H new ATOM 325 N VAL A 26 -12.237 9.582 -2.914 1.00 0.00 N ATOM 326 CA VAL A 26 -13.024 10.434 -2.045 1.00 0.00 C ATOM 327 C VAL A 26 -12.997 11.865 -2.565 1.00 0.00 C ATOM 328 O VAL A 26 -14.053 12.446 -2.822 1.00 0.00 O ATOM 329 CB VAL A 26 -12.465 10.326 -0.604 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.118 11.316 0.366 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.571 8.892 -0.067 1.00 0.00 C ATOM 0 H VAL A 26 -11.438 9.177 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.066 10.115 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.411 10.595 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.685 11.192 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.944 12.334 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.190 11.127 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.170 8.852 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.617 8.584 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.002 8.220 -0.709 1.00 0.00 H new ATOM 341 N ASN A 27 -11.801 12.433 -2.714 1.00 0.00 N ATOM 342 CA ASN A 27 -11.567 13.771 -3.239 1.00 0.00 C ATOM 343 C ASN A 27 -10.463 13.664 -4.282 1.00 0.00 C ATOM 344 O ASN A 27 -9.721 12.686 -4.307 1.00 0.00 O ATOM 345 CB ASN A 27 -11.026 14.746 -2.181 1.00 0.00 C ATOM 346 CG ASN A 27 -11.715 14.872 -0.838 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.930 14.805 -0.671 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.890 15.123 0.156 1.00 0.00 N ATOM 0 H ASN A 27 -10.937 11.952 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.520 14.140 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.989 14.471 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.013 15.738 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.255 15.268 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.886 15.172 -0.015 1.00 0.00 H new ATOM 355 N SER A 28 -10.199 14.749 -5.001 1.00 0.00 N ATOM 356 CA SER A 28 -9.177 14.832 -6.045 1.00 0.00 C ATOM 357 C SER A 28 -7.728 14.647 -5.541 1.00 0.00 C ATOM 358 O SER A 28 -6.800 14.751 -6.334 1.00 0.00 O ATOM 359 CB SER A 28 -9.331 16.148 -6.830 1.00 0.00 C ATOM 360 OG SER A 28 -10.501 16.881 -6.481 1.00 0.00 O ATOM 0 H SER A 28 -10.705 15.625 -4.871 1.00 0.00 H new ATOM 0 HA SER A 28 -9.351 13.984 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.455 16.772 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.355 15.925 -7.897 1.00 0.00 H new ATOM 0 HG SER A 28 -10.290 17.837 -6.446 1.00 0.00 H new ATOM 366 N THR A 29 -7.508 14.414 -4.247 1.00 0.00 N ATOM 367 CA THR A 29 -6.201 14.250 -3.605 1.00 0.00 C ATOM 368 C THR A 29 -6.162 13.046 -2.664 1.00 0.00 C ATOM 369 O THR A 29 -5.149 12.822 -1.992 1.00 0.00 O ATOM 370 CB THR A 29 -5.882 15.536 -2.822 1.00 0.00 C ATOM 371 OG1 THR A 29 -7.020 15.971 -2.081 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.490 16.640 -3.790 1.00 0.00 C ATOM 0 H THR A 29 -8.277 14.330 -3.582 1.00 0.00 H new ATOM 0 HA THR A 29 -5.456 14.069 -4.380 1.00 0.00 H new ATOM 0 HB THR A 29 -5.063 15.321 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.797 16.789 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.265 17.549 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.610 16.333 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.314 16.831 -4.478 1.00 0.00 H new ATOM 380 N LEU A 30 -7.285 12.337 -2.528 1.00 0.00 N ATOM 381 CA LEU A 30 -7.566 11.457 -1.415 1.00 0.00 C ATOM 382 C LEU A 30 -8.447 10.305 -1.884 1.00 0.00 C ATOM 383 O LEU A 30 -9.565 10.553 -2.333 1.00 0.00 O ATOM 384 CB LEU A 30 -8.288 12.297 -0.352 1.00 0.00 C ATOM 385 CG LEU A 30 -8.524 11.550 0.962 1.00 0.00 C ATOM 386 CD1 LEU A 30 -7.190 11.163 1.601 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.318 12.475 1.883 1.00 0.00 C ATOM 0 H LEU A 30 -8.039 12.367 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.652 11.029 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.702 13.194 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.248 12.626 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.080 10.629 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.374 10.632 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.634 10.518 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.609 12.063 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.504 11.972 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.748 13.387 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.269 12.727 1.414 1.00 0.00 H new ATOM 399 N ALA A 31 -7.987 9.060 -1.762 1.00 0.00 N ATOM 400 CA ALA A 31 -8.767 7.886 -2.143 1.00 0.00 C ATOM 401 C ALA A 31 -8.797 6.891 -0.996 1.00 0.00 C ATOM 402 O ALA A 31 -7.752 6.584 -0.442 1.00 0.00 O ATOM 403 CB ALA A 31 -8.185 7.257 -3.412 1.00 0.00 C ATOM 0 H ALA A 31 -7.061 8.838 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.793 8.186 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.774 6.382 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.213 7.984 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.153 6.957 -3.229 1.00 0.00 H new ATOM 409 N GLU A 32 -9.962 6.385 -0.616 1.00 0.00 N ATOM 410 CA GLU A 32 -10.057 5.229 0.257 1.00 0.00 C ATOM 411 C GLU A 32 -9.742 3.988 -0.568 1.00 0.00 C ATOM 412 O GLU A 32 -10.120 3.894 -1.731 1.00 0.00 O ATOM 413 CB GLU A 32 -11.468 5.133 0.863 1.00 0.00 C ATOM 414 CG GLU A 32 -11.380 5.348 2.379 1.00 0.00 C ATOM 415 CD GLU A 32 -12.728 5.358 3.104 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.593 6.215 2.804 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.882 4.585 4.077 1.00 0.00 O ATOM 0 H GLU A 32 -10.864 6.765 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.348 5.318 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.121 5.881 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.905 4.158 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.758 4.562 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.874 6.294 2.569 1.00 0.00 H new ATOM 424 N VAL A 33 -9.113 3.003 0.051 1.00 0.00 N ATOM 425 CA VAL A 33 -8.999 1.638 -0.423 1.00 0.00 C ATOM 426 C VAL A 33 -9.732 0.809 0.627 1.00 0.00 C ATOM 427 O VAL A 33 -9.605 1.100 1.819 1.00 0.00 O ATOM 428 CB VAL A 33 -7.518 1.243 -0.562 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.412 -0.168 -1.140 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.736 2.181 -1.492 1.00 0.00 C ATOM 0 H VAL A 33 -8.644 3.144 0.946 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.430 1.486 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.089 1.305 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.362 -0.444 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.912 -0.872 -0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.886 -0.196 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.698 1.853 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.180 2.160 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.773 3.197 -1.099 1.00 0.00 H new ATOM 440 N HIS A 34 -10.490 -0.195 0.197 1.00 0.00 N ATOM 441 CA HIS A 34 -11.258 -1.106 1.046 1.00 0.00 C ATOM 442 C HIS A 34 -10.766 -2.525 0.782 1.00 0.00 C ATOM 443 O HIS A 34 -10.342 -2.820 -0.342 1.00 0.00 O ATOM 444 CB HIS A 34 -12.759 -1.039 0.704 1.00 0.00 C ATOM 445 CG HIS A 34 -13.391 0.336 0.676 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.564 0.662 0.034 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.960 1.465 1.322 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.832 1.953 0.285 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.881 2.483 1.070 1.00 0.00 N ATOM 0 H HIS A 34 -10.592 -0.407 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 34 -11.123 -0.823 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.906 -1.501 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.300 -1.647 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.065 1.552 1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.691 2.489 -0.091 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.839 3.442 1.415 1.00 0.00 H new ATOM 457 N TRP A 35 -10.865 -3.417 1.765 1.00 0.00 N ATOM 458 CA TRP A 35 -10.546 -4.824 1.588 1.00 0.00 C ATOM 459 C TRP A 35 -11.335 -5.688 2.572 1.00 0.00 C ATOM 460 O TRP A 35 -11.716 -5.230 3.650 1.00 0.00 O ATOM 461 CB TRP A 35 -9.033 -5.016 1.755 1.00 0.00 C ATOM 462 CG TRP A 35 -8.402 -4.499 3.016 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.336 -5.176 4.184 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.766 -3.206 3.270 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.700 -4.400 5.131 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.324 -3.179 4.625 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.537 -2.040 2.509 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.685 -2.068 5.196 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.891 -0.919 3.065 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.445 -0.939 4.397 1.00 0.00 C ATOM 0 H TRP A 35 -11.170 -3.179 2.709 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.833 -5.142 0.586 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.820 -6.083 1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.538 -4.536 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.722 -6.171 4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.529 -4.697 6.092 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.864 -2.007 1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.383 -2.081 6.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.737 -0.036 2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.919 -0.088 4.805 1.00 0.00 H new ATOM 481 N ASP A 36 -11.536 -6.960 2.221 1.00 0.00 N ATOM 482 CA ASP A 36 -12.038 -7.968 3.155 1.00 0.00 C ATOM 483 C ASP A 36 -10.861 -8.490 3.989 1.00 0.00 C ATOM 484 O ASP A 36 -9.761 -8.667 3.452 1.00 0.00 O ATOM 485 CB ASP A 36 -12.825 -9.049 2.401 1.00 0.00 C ATOM 486 CG ASP A 36 -12.932 -10.428 3.066 1.00 0.00 C ATOM 487 OD1 ASP A 36 -11.908 -11.086 3.336 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.071 -10.898 3.295 1.00 0.00 O ATOM 0 H ASP A 36 -11.356 -7.319 1.283 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.754 -7.542 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.835 -8.676 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.365 -9.181 1.421 1.00 0.00 H new ATOM 493 N PRO A 37 -11.052 -8.652 5.311 1.00 0.00 N ATOM 494 CA PRO A 37 -9.975 -8.933 6.245 1.00 0.00 C ATOM 495 C PRO A 37 -9.475 -10.363 6.065 1.00 0.00 C ATOM 496 O PRO A 37 -10.270 -11.308 6.100 1.00 0.00 O ATOM 497 CB PRO A 37 -10.566 -8.717 7.643 1.00 0.00 C ATOM 498 CG PRO A 37 -12.069 -8.920 7.457 1.00 0.00 C ATOM 499 CD PRO A 37 -12.329 -8.549 6.002 1.00 0.00 C ATOM 0 HA PRO A 37 -9.115 -8.284 6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.155 -9.426 8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.344 -7.718 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.358 -9.951 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.642 -8.288 8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.065 -9.219 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.730 -7.538 5.926 1.00 0.00 H new ATOM 507 N VAL A 38 -8.163 -10.559 5.927 1.00 0.00 N ATOM 508 CA VAL A 38 -7.640 -11.920 5.969 1.00 0.00 C ATOM 509 C VAL A 38 -7.752 -12.476 7.407 1.00 0.00 C ATOM 510 O VAL A 38 -7.704 -11.704 8.375 1.00 0.00 O ATOM 511 CB VAL A 38 -6.224 -12.030 5.395 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.132 -11.578 3.947 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.229 -11.216 6.194 1.00 0.00 C ATOM 0 H VAL A 38 -7.469 -9.824 5.791 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.252 -12.542 5.316 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.982 -13.091 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.104 -11.680 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.787 -12.194 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.439 -10.535 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.237 -11.321 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.523 -10.166 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.209 -11.574 7.223 1.00 0.00 H new ATOM 523 N PRO A 39 -7.882 -13.800 7.573 1.00 0.00 N ATOM 524 CA PRO A 39 -8.133 -14.437 8.857 1.00 0.00 C ATOM 525 C PRO A 39 -6.825 -14.680 9.607 1.00 0.00 C ATOM 526 O PRO A 39 -5.755 -14.791 9.000 1.00 0.00 O ATOM 527 CB PRO A 39 -8.824 -15.756 8.503 1.00 0.00 C ATOM 528 CG PRO A 39 -8.295 -16.106 7.114 1.00 0.00 C ATOM 529 CD PRO A 39 -7.932 -14.762 6.492 1.00 0.00 C ATOM 0 HA PRO A 39 -8.744 -13.820 9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.585 -16.536 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.909 -15.647 8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.427 -16.763 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.048 -16.626 6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.971 -14.820 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.672 -14.468 5.747 1.00 0.00 H new ATOM 537 N LEU A 40 -6.910 -14.863 10.929 1.00 0.00 N ATOM 538 CA LEU A 40 -5.740 -15.096 11.780 1.00 0.00 C ATOM 539 C LEU A 40 -4.982 -16.355 11.364 1.00 0.00 C ATOM 540 O LEU A 40 -3.755 -16.365 11.407 1.00 0.00 O ATOM 541 CB LEU A 40 -6.115 -15.148 13.264 1.00 0.00 C ATOM 542 CG LEU A 40 -6.431 -13.748 13.830 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.924 -13.405 13.743 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.966 -13.662 15.279 1.00 0.00 C ATOM 0 H LEU A 40 -7.793 -14.854 11.439 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.074 -14.245 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.981 -15.796 13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.295 -15.591 13.830 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.895 -13.021 13.220 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.093 -12.410 14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.242 -13.426 12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.499 -14.135 14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.191 -12.672 15.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.483 -14.416 15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.891 -13.836 15.327 1.00 0.00 H new ATOM 556 N LYS A 41 -5.675 -17.394 10.893 1.00 0.00 N ATOM 557 CA LYS A 41 -5.010 -18.588 10.378 1.00 0.00 C ATOM 558 C LYS A 41 -4.227 -18.338 9.098 1.00 0.00 C ATOM 559 O LYS A 41 -3.324 -19.121 8.804 1.00 0.00 O ATOM 560 CB LYS A 41 -6.023 -19.712 10.134 1.00 0.00 C ATOM 561 CG LYS A 41 -6.682 -20.254 11.412 1.00 0.00 C ATOM 562 CD LYS A 41 -5.646 -20.607 12.492 1.00 0.00 C ATOM 563 CE LYS A 41 -6.169 -21.620 13.507 1.00 0.00 C ATOM 564 NZ LYS A 41 -6.117 -23.013 13.018 1.00 0.00 N ATOM 0 H LYS A 41 -6.694 -17.431 10.858 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.296 -18.883 11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.801 -19.346 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.522 -20.533 9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.376 -19.511 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.268 -21.140 11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.752 -21.007 12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.348 -19.698 13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.584 -21.541 14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.198 -21.370 13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.485 -23.652 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.697 -23.101 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.133 -23.268 12.799 1.00 0.00 H new ATOM 578 N SER A 42 -4.540 -17.306 8.314 1.00 0.00 N ATOM 579 CA SER A 42 -3.671 -16.951 7.200 1.00 0.00 C ATOM 580 C SER A 42 -2.435 -16.224 7.729 1.00 0.00 C ATOM 581 O SER A 42 -1.328 -16.482 7.270 1.00 0.00 O ATOM 582 CB SER A 42 -4.433 -16.127 6.167 1.00 0.00 C ATOM 583 OG SER A 42 -4.618 -14.785 6.581 1.00 0.00 O ATOM 0 H SER A 42 -5.366 -16.718 8.427 1.00 0.00 H new ATOM 0 HA SER A 42 -3.335 -17.855 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.891 -16.142 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.405 -16.586 5.984 1.00 0.00 H new ATOM 0 HG SER A 42 -5.252 -14.758 7.328 1.00 0.00 H new ATOM 589 N ILE A 43 -2.634 -15.331 8.707 1.00 0.00 N ATOM 590 CA ILE A 43 -1.609 -14.475 9.283 1.00 0.00 C ATOM 591 C ILE A 43 -0.577 -15.320 10.033 1.00 0.00 C ATOM 592 O ILE A 43 0.590 -14.940 10.057 1.00 0.00 O ATOM 593 CB ILE A 43 -2.267 -13.414 10.198 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.225 -12.496 9.395 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.193 -12.557 10.896 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.259 -11.765 10.260 1.00 0.00 C ATOM 0 H ILE A 43 -3.551 -15.186 9.129 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.081 -13.947 8.489 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.847 -13.946 10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.634 -11.758 8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.748 -13.096 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.676 -11.817 11.534 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.554 -13.198 11.503 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.589 -12.049 10.145 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.891 -11.144 9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.877 -12.495 10.783 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.746 -11.136 10.987 1.00 0.00 H new ATOM 608 N ARG A 44 -0.993 -16.440 10.637 1.00 0.00 N ATOM 609 CA ARG A 44 -0.149 -17.353 11.405 1.00 0.00 C ATOM 610 C ARG A 44 0.672 -16.571 12.437 1.00 0.00 C ATOM 611 O ARG A 44 1.901 -16.529 12.390 1.00 0.00 O ATOM 612 CB ARG A 44 0.693 -18.218 10.464 1.00 0.00 C ATOM 613 CG ARG A 44 -0.234 -19.087 9.604 1.00 0.00 C ATOM 614 CD ARG A 44 0.463 -20.239 8.897 1.00 0.00 C ATOM 615 NE ARG A 44 1.522 -19.754 8.001 1.00 0.00 N ATOM 616 CZ ARG A 44 2.480 -20.458 7.391 1.00 0.00 C ATOM 617 NH1 ARG A 44 2.477 -21.785 7.383 1.00 0.00 N ATOM 618 NH2 ARG A 44 3.455 -19.785 6.797 1.00 0.00 N ATOM 0 H ARG A 44 -1.966 -16.744 10.600 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.768 -18.047 11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.311 -17.586 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.370 -18.849 11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.025 -19.490 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.714 -18.455 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.891 -20.916 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.267 -20.812 8.324 1.00 0.00 H new ATOM 0 HE ARG A 44 1.526 -18.750 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.729 -22.296 7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.223 -22.294 6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.456 -18.765 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.204 -20.287 6.321 1.00 0.00 H new ATOM 632 N GLY A 45 -0.012 -15.888 13.357 1.00 0.00 N ATOM 633 CA GLY A 45 0.627 -14.997 14.316 1.00 0.00 C ATOM 634 C GLY A 45 -0.160 -13.704 14.434 1.00 0.00 C ATOM 635 O GLY A 45 -1.388 -13.726 14.327 1.00 0.00 O ATOM 0 H GLY A 45 -1.026 -15.940 13.455 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.690 -15.483 15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.648 -14.783 14.000 1.00 0.00 H new ATOM 639 N HIS A 46 0.545 -12.604 14.693 1.00 0.00 N ATOM 640 CA HIS A 46 -0.014 -11.287 14.949 1.00 0.00 C ATOM 641 C HIS A 46 0.147 -10.387 13.730 1.00 0.00 C ATOM 642 O HIS A 46 1.259 -10.126 13.269 1.00 0.00 O ATOM 643 CB HIS A 46 0.676 -10.650 16.162 1.00 0.00 C ATOM 644 CG HIS A 46 0.538 -11.462 17.418 1.00 0.00 C ATOM 645 ND1 HIS A 46 1.389 -12.464 17.824 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.503 -11.413 18.301 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.868 -13.020 18.925 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.277 -12.404 19.259 1.00 0.00 N ATOM 0 H HIS A 46 1.564 -12.612 14.731 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.078 -11.400 15.159 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.734 -10.515 15.940 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.256 -9.658 16.331 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.343 -10.735 18.265 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.306 -13.845 19.467 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.870 -12.619 20.061 1.00 0.00 H new ATOM 656 N LEU A 47 -0.982 -9.878 13.247 1.00 0.00 N ATOM 657 CA LEU A 47 -1.106 -8.852 12.227 1.00 0.00 C ATOM 658 C LEU A 47 -0.297 -7.618 12.632 1.00 0.00 C ATOM 659 O LEU A 47 -0.669 -6.927 13.583 1.00 0.00 O ATOM 660 CB LEU A 47 -2.600 -8.514 12.102 1.00 0.00 C ATOM 661 CG LEU A 47 -2.937 -7.485 11.023 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.674 -8.052 9.632 1.00 0.00 C ATOM 663 CD2 LEU A 47 -4.405 -7.092 11.141 1.00 0.00 C ATOM 0 H LEU A 47 -1.892 -10.195 13.582 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.719 -9.198 11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.149 -9.432 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.955 -8.142 13.063 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.303 -6.610 11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.921 -7.302 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.622 -8.323 9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.291 -8.937 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.648 -6.358 10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.030 -7.975 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.588 -6.661 12.125 1.00 0.00 H new ATOM 675 N GLN A 48 0.788 -7.326 11.918 1.00 0.00 N ATOM 676 CA GLN A 48 1.553 -6.088 12.073 1.00 0.00 C ATOM 677 C GLN A 48 0.865 -4.898 11.396 1.00 0.00 C ATOM 678 O GLN A 48 1.220 -3.752 11.652 1.00 0.00 O ATOM 679 CB GLN A 48 2.959 -6.286 11.494 1.00 0.00 C ATOM 680 CG GLN A 48 3.879 -7.167 12.348 1.00 0.00 C ATOM 681 CD GLN A 48 4.421 -6.498 13.605 1.00 0.00 C ATOM 682 OE1 GLN A 48 5.613 -6.225 13.713 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.595 -6.301 14.613 1.00 0.00 N ATOM 0 H GLN A 48 1.167 -7.950 11.206 1.00 0.00 H new ATOM 0 HA GLN A 48 1.616 -5.860 13.137 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.871 -6.729 10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.427 -5.310 11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.332 -8.064 12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.720 -7.491 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.606 -6.531 14.514 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.945 -5.919 15.492 1.00 0.00 H new ATOM 692 N GLY A 49 -0.124 -5.153 10.548 1.00 0.00 N ATOM 693 CA GLY A 49 -0.926 -4.126 9.917 1.00 0.00 C ATOM 694 C GLY A 49 -1.295 -4.563 8.519 1.00 0.00 C ATOM 695 O GLY A 49 -1.147 -5.734 8.155 1.00 0.00 O ATOM 0 H GLY A 49 -0.392 -6.099 10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.827 -3.943 10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.372 -3.188 9.882 1.00 0.00 H new ATOM 699 N TYR A 50 -1.746 -3.614 7.717 1.00 0.00 N ATOM 700 CA TYR A 50 -1.883 -3.722 6.271 1.00 0.00 C ATOM 701 C TYR A 50 -0.846 -2.795 5.629 1.00 0.00 C ATOM 702 O TYR A 50 -0.456 -1.768 6.191 1.00 0.00 O ATOM 703 CB TYR A 50 -3.335 -3.418 5.859 1.00 0.00 C ATOM 704 CG TYR A 50 -4.299 -4.566 6.134 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.834 -4.778 7.422 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.619 -5.470 5.103 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.664 -5.889 7.676 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.437 -6.586 5.355 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.966 -6.805 6.644 1.00 0.00 C ATOM 710 OH TYR A 50 -6.740 -7.904 6.860 1.00 0.00 O ATOM 0 H TYR A 50 -2.041 -2.704 8.071 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.684 -4.734 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.677 -2.531 6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.360 -3.180 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.606 -4.085 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.232 -5.305 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.071 -6.041 8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.661 -7.279 4.557 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.384 -7.715 7.574 1.00 0.00 H new ATOM 720 N ARG A 51 -0.356 -3.165 4.451 1.00 0.00 N ATOM 721 CA ARG A 51 0.617 -2.400 3.679 1.00 0.00 C ATOM 722 C ARG A 51 0.015 -2.206 2.303 1.00 0.00 C ATOM 723 O ARG A 51 -0.619 -3.136 1.803 1.00 0.00 O ATOM 724 CB ARG A 51 1.940 -3.187 3.635 1.00 0.00 C ATOM 725 CG ARG A 51 3.118 -2.339 3.134 1.00 0.00 C ATOM 726 CD ARG A 51 4.449 -3.093 3.261 1.00 0.00 C ATOM 727 NE ARG A 51 4.871 -3.267 4.663 1.00 0.00 N ATOM 728 CZ ARG A 51 6.027 -3.827 5.044 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.831 -4.410 4.162 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.386 -3.791 6.321 1.00 0.00 N ATOM 0 H ARG A 51 -0.634 -4.033 3.992 1.00 0.00 H new ATOM 0 HA ARG A 51 0.837 -1.426 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.167 -3.564 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.820 -4.055 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.952 -2.064 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.168 -1.411 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.354 -4.071 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.223 -2.551 2.717 1.00 0.00 H new ATOM 0 HE ARG A 51 4.239 -2.938 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.572 -4.437 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.707 -4.831 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.783 -3.338 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.265 -4.216 6.616 1.00 0.00 H new ATOM 744 N ILE A 52 0.190 -1.035 1.699 1.00 0.00 N ATOM 745 CA ILE A 52 -0.283 -0.763 0.350 1.00 0.00 C ATOM 746 C ILE A 52 0.906 -0.199 -0.410 1.00 0.00 C ATOM 747 O ILE A 52 1.481 0.804 0.007 1.00 0.00 O ATOM 748 CB ILE A 52 -1.544 0.142 0.362 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.726 -0.669 0.949 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.881 0.624 -1.060 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.103 0.005 1.007 1.00 0.00 C ATOM 0 H ILE A 52 0.666 -0.246 2.135 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.629 -1.662 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.356 1.023 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.826 -1.584 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.457 -0.966 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.768 1.257 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.042 1.194 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.072 -0.237 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.827 -0.684 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.043 0.903 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.418 0.276 -0.001 1.00 0.00 H new ATOM 763 N TYR A 53 1.278 -0.850 -1.503 1.00 0.00 N ATOM 764 CA TYR A 53 2.201 -0.344 -2.512 1.00 0.00 C ATOM 765 C TYR A 53 1.323 0.355 -3.546 1.00 0.00 C ATOM 766 O TYR A 53 0.185 -0.085 -3.730 1.00 0.00 O ATOM 767 CB TYR A 53 2.931 -1.516 -3.193 1.00 0.00 C ATOM 768 CG TYR A 53 3.892 -2.320 -2.330 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.449 -2.998 -1.173 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.260 -2.349 -2.665 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.374 -3.595 -0.302 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.192 -2.914 -1.778 1.00 0.00 C ATOM 773 CZ TYR A 53 5.755 -3.514 -0.577 1.00 0.00 C ATOM 774 OH TYR A 53 6.651 -3.947 0.349 1.00 0.00 O ATOM 0 H TYR A 53 0.931 -1.784 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 53 2.949 0.318 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.180 -2.198 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.487 -1.122 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.392 -3.058 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.593 -1.936 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.028 -4.116 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.245 -2.889 -2.016 1.00 0.00 H new ATOM 0 HH TYR A 53 6.242 -4.649 0.897 1.00 0.00 H new ATOM 784 N TYR A 54 1.792 1.408 -4.205 1.00 0.00 N ATOM 785 CA TYR A 54 1.123 2.087 -5.303 1.00 0.00 C ATOM 786 C TYR A 54 2.119 2.872 -6.153 1.00 0.00 C ATOM 787 O TYR A 54 3.261 3.084 -5.735 1.00 0.00 O ATOM 788 CB TYR A 54 0.024 3.001 -4.739 1.00 0.00 C ATOM 789 CG TYR A 54 0.497 4.148 -3.879 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.763 3.905 -2.524 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.605 5.446 -4.403 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.122 4.967 -1.675 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.937 6.518 -3.555 1.00 0.00 C ATOM 794 CZ TYR A 54 1.158 6.289 -2.177 1.00 0.00 C ATOM 795 OH TYR A 54 1.453 7.337 -1.360 1.00 0.00 O ATOM 0 H TYR A 54 2.692 1.830 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 54 0.664 1.345 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.546 3.409 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.663 2.391 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.692 2.901 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.434 5.621 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.370 4.774 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.023 7.517 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 54 1.433 8.170 -1.876 1.00 0.00 H new ATOM 805 N TRP A 55 1.718 3.280 -7.354 1.00 0.00 N ATOM 806 CA TRP A 55 2.458 4.214 -8.190 1.00 0.00 C ATOM 807 C TRP A 55 1.516 5.046 -9.059 1.00 0.00 C ATOM 808 O TRP A 55 0.361 4.662 -9.287 1.00 0.00 O ATOM 809 CB TRP A 55 3.486 3.452 -9.033 1.00 0.00 C ATOM 810 CG TRP A 55 2.986 2.309 -9.862 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.512 2.398 -11.124 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.946 0.891 -9.519 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.240 1.138 -11.605 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.467 0.169 -10.652 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.297 0.137 -8.379 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.380 -1.230 -10.659 1.00 0.00 C ATOM 817 CZ3 TRP A 55 3.244 -1.270 -8.386 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.778 -1.954 -9.523 1.00 0.00 C ATOM 0 H TRP A 55 0.848 2.961 -7.781 1.00 0.00 H new ATOM 0 HA TRP A 55 2.993 4.914 -7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.970 4.165 -9.700 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.255 3.070 -8.362 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.369 3.318 -11.672 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.911 0.945 -12.551 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.613 0.650 -7.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 2.010 -1.748 -11.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.562 -1.825 -7.516 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.726 -3.033 -9.523 1.00 0.00 H new ATOM 829 N LYS A 56 2.031 6.160 -9.578 1.00 0.00 N ATOM 830 CA LYS A 56 1.443 6.995 -10.619 1.00 0.00 C ATOM 831 C LYS A 56 1.464 6.213 -11.934 1.00 0.00 C ATOM 832 O LYS A 56 2.486 5.597 -12.268 1.00 0.00 O ATOM 833 CB LYS A 56 2.301 8.281 -10.687 1.00 0.00 C ATOM 834 CG LYS A 56 1.786 9.448 -11.550 1.00 0.00 C ATOM 835 CD LYS A 56 0.743 10.327 -10.836 1.00 0.00 C ATOM 836 CE LYS A 56 0.490 11.685 -11.513 1.00 0.00 C ATOM 837 NZ LYS A 56 1.561 12.688 -11.281 1.00 0.00 N ATOM 0 H LYS A 56 2.929 6.525 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 56 0.406 7.265 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.431 8.650 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.289 8.004 -11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.631 10.070 -11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.347 9.047 -12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.199 9.781 -10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.072 10.501 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.380 11.529 -12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.456 12.089 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.141 13.565 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.244 12.314 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.049 12.889 -12.177 1.00 0.00 H new ATOM 851 N THR A 57 0.381 6.241 -12.692 1.00 0.00 N ATOM 852 CA THR A 57 0.187 5.495 -13.930 1.00 0.00 C ATOM 853 C THR A 57 -0.229 6.512 -15.003 1.00 0.00 C ATOM 854 O THR A 57 -0.949 7.455 -14.690 1.00 0.00 O ATOM 855 CB THR A 57 -0.877 4.412 -13.639 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.402 3.477 -12.680 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.317 3.606 -14.855 1.00 0.00 C ATOM 0 H THR A 57 -0.429 6.812 -12.451 1.00 0.00 H new ATOM 0 HA THR A 57 1.078 4.985 -14.295 1.00 0.00 H new ATOM 0 HB THR A 57 -1.734 4.980 -13.275 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.573 3.549 -12.608 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.064 2.872 -14.554 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.747 4.276 -15.600 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.456 3.093 -15.283 1.00 0.00 H new ATOM 1096 N LYS A 71 5.515 4.076 -4.388 1.00 0.00 N ATOM 1097 CA LYS A 71 5.211 4.602 -3.077 1.00 0.00 C ATOM 1098 C LYS A 71 4.564 3.513 -2.256 1.00 0.00 C ATOM 1099 O LYS A 71 3.903 2.624 -2.791 1.00 0.00 O ATOM 1100 CB LYS A 71 4.310 5.820 -3.178 1.00 0.00 C ATOM 1101 CG LYS A 71 5.239 7.024 -3.120 1.00 0.00 C ATOM 1102 CD LYS A 71 4.451 8.307 -3.115 1.00 0.00 C ATOM 1103 CE LYS A 71 5.352 9.444 -2.635 1.00 0.00 C ATOM 1104 NZ LYS A 71 5.307 9.599 -1.164 1.00 0.00 N ATOM 0 HA LYS A 71 6.131 4.923 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.740 5.810 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.588 5.842 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.858 6.969 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.914 7.010 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.075 8.522 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.583 8.213 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.378 9.252 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.044 10.376 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.931 10.380 -0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.333 9.808 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.626 8.718 -0.712 1.00 0.00 H new ATOM 1118 N ILE A 72 4.727 3.620 -0.947 1.00 0.00 N ATOM 1119 CA ILE A 72 4.118 2.713 0.014 1.00 0.00 C ATOM 1120 C ILE A 72 3.281 3.563 0.967 1.00 0.00 C ATOM 1121 O ILE A 72 3.504 4.771 1.097 1.00 0.00 O ATOM 1122 CB ILE A 72 5.188 1.853 0.736 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.258 1.240 -0.175 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.593 0.760 1.656 1.00 0.00 C ATOM 1125 CD1 ILE A 72 5.714 0.273 -1.179 1.00 0.00 C ATOM 0 H ILE A 72 5.294 4.350 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 72 3.471 1.990 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 72 5.692 2.592 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.777 2.042 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.999 0.731 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.402 0.200 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.980 1.227 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.978 0.082 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.530 -0.118 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.220 -0.549 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.995 0.781 -1.821 1.00 0.00 H new ATOM 1137 N LEU A 73 2.330 2.920 1.633 1.00 0.00 N ATOM 1138 CA LEU A 73 1.592 3.398 2.788 1.00 0.00 C ATOM 1139 C LEU A 73 1.635 2.300 3.835 1.00 0.00 C ATOM 1140 O LEU A 73 1.522 1.108 3.515 1.00 0.00 O ATOM 1141 CB LEU A 73 0.144 3.717 2.415 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.006 5.162 1.947 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.023 5.239 0.835 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.537 6.126 3.002 1.00 0.00 C ATOM 0 H LEU A 73 2.036 1.983 1.357 1.00 0.00 H new ATOM 0 HA LEU A 73 2.039 4.317 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.187 3.041 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.502 3.543 3.276 1.00 0.00 H new ATOM 0 HG LEU A 73 1.005 5.450 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.125 6.273 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.694 4.623 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.985 4.877 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.609 7.127 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.524 5.799 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.142 6.142 3.855 1.00 0.00 H new ATOM 1156 N THR A 74 1.775 2.719 5.085 1.00 0.00 N ATOM 1157 CA THR A 74 1.907 1.848 6.242 1.00 0.00 C ATOM 1158 C THR A 74 0.653 2.019 7.102 1.00 0.00 C ATOM 1159 O THR A 74 0.340 3.134 7.520 1.00 0.00 O ATOM 1160 CB THR A 74 3.197 2.231 6.983 1.00 0.00 C ATOM 1161 OG1 THR A 74 4.317 2.130 6.113 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.477 1.342 8.196 1.00 0.00 C ATOM 0 H THR A 74 1.801 3.709 5.329 1.00 0.00 H new ATOM 0 HA THR A 74 1.984 0.796 5.969 1.00 0.00 H new ATOM 0 HB THR A 74 3.048 3.255 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.131 2.379 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.401 1.663 8.677 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.653 1.423 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.577 0.306 7.872 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.075 0.929 7.357 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.322 0.938 8.104 1.00 0.00 C ATOM 1172 C PHE A 75 -1.250 -0.102 9.206 1.00 0.00 C ATOM 1173 O PHE A 75 -1.798 -1.194 9.067 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.506 0.670 7.167 1.00 0.00 C ATOM 1175 CG PHE A 75 -2.643 1.676 6.062 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -2.947 3.003 6.399 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.452 1.300 4.720 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.164 3.944 5.386 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.616 2.262 3.714 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.001 3.566 4.047 1.00 0.00 C ATOM 0 H PHE A 75 0.197 -0.002 7.040 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.473 1.919 8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.395 -0.323 6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.425 0.659 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.013 3.298 7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.183 0.285 4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.455 4.954 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.445 1.997 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.174 4.288 3.263 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.596 0.227 10.316 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.703 -0.619 11.496 1.00 0.00 C ATOM 1192 C GLN A 76 -2.161 -0.613 11.959 1.00 0.00 C ATOM 1193 O GLN A 76 -2.895 0.359 11.724 1.00 0.00 O ATOM 1194 CB GLN A 76 0.207 -0.126 12.631 1.00 0.00 C ATOM 1195 CG GLN A 76 1.696 -0.270 12.315 1.00 0.00 C ATOM 1196 CD GLN A 76 2.567 0.514 13.296 1.00 0.00 C ATOM 1197 OE1 GLN A 76 2.347 0.507 14.505 1.00 0.00 O ATOM 1198 NE2 GLN A 76 3.555 1.243 12.807 1.00 0.00 N ATOM 0 H GLN A 76 -0.003 1.050 10.422 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.383 -1.629 11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.015 0.921 12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.021 -0.684 13.539 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.973 -1.324 12.346 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.887 0.080 11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.737 1.248 11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.136 1.801 13.433 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.534 -1.670 12.665 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.868 -1.907 13.193 1.00 0.00 C ATOM 1209 C GLY A 77 -4.723 -2.713 12.218 1.00 0.00 C ATOM 1210 O GLY A 77 -4.491 -2.730 11.005 1.00 0.00 O ATOM 0 H GLY A 77 -1.883 -2.421 12.896 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.795 -2.440 14.141 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.353 -0.953 13.400 1.00 0.00 H new ATOM 1214 N SER A 78 -5.754 -3.371 12.746 1.00 0.00 N ATOM 1215 CA SER A 78 -6.558 -4.368 12.041 1.00 0.00 C ATOM 1216 C SER A 78 -7.613 -3.766 11.100 1.00 0.00 C ATOM 1217 O SER A 78 -8.741 -4.259 11.028 1.00 0.00 O ATOM 1218 CB SER A 78 -7.209 -5.297 13.071 1.00 0.00 C ATOM 1219 OG SER A 78 -6.318 -5.704 14.096 1.00 0.00 O ATOM 0 H SER A 78 -6.062 -3.220 13.706 1.00 0.00 H new ATOM 0 HA SER A 78 -5.885 -4.928 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.063 -4.790 13.520 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.595 -6.180 12.562 1.00 0.00 H new ATOM 0 HG SER A 78 -6.788 -6.292 14.723 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.326 -2.638 10.456 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.290 -1.956 9.599 1.00 0.00 C ATOM 1227 C LYS A 79 -8.691 -2.814 8.397 1.00 0.00 C ATOM 1228 O LYS A 79 -7.963 -3.719 7.984 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.741 -0.594 9.150 1.00 0.00 C ATOM 1230 CG LYS A 79 -6.255 -0.577 8.735 1.00 0.00 C ATOM 1231 CD LYS A 79 -5.407 0.128 9.804 1.00 0.00 C ATOM 1232 CE LYS A 79 -5.519 1.646 9.615 1.00 0.00 C ATOM 1233 NZ LYS A 79 -5.726 2.398 10.866 1.00 0.00 N ATOM 0 H LYS A 79 -6.420 -2.172 10.514 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.193 -1.787 10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.338 -0.241 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.881 0.119 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.899 -1.597 8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.144 -0.066 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.749 -0.153 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.366 -0.185 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.611 2.009 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.346 1.856 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.791 3.414 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.607 2.082 11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.926 2.229 11.509 1.00 0.00 H new ATOM 1247 N THR A 80 -9.826 -2.452 7.808 1.00 0.00 N ATOM 1248 CA THR A 80 -10.404 -3.024 6.595 1.00 0.00 C ATOM 1249 C THR A 80 -10.551 -1.957 5.495 1.00 0.00 C ATOM 1250 O THR A 80 -11.117 -2.207 4.431 1.00 0.00 O ATOM 1251 CB THR A 80 -11.699 -3.756 6.971 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.457 -2.995 7.901 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.347 -5.090 7.635 1.00 0.00 C ATOM 0 H THR A 80 -10.404 -1.703 8.189 1.00 0.00 H new ATOM 0 HA THR A 80 -9.739 -3.767 6.154 1.00 0.00 H new ATOM 0 HB THR A 80 -12.281 -3.908 6.062 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.279 -3.478 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.263 -5.615 7.905 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.770 -5.701 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.757 -4.905 8.533 1.00 0.00 H new ATOM 1261 N HIS A 81 -10.017 -0.757 5.742 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.869 0.304 4.766 1.00 0.00 C ATOM 1263 C HIS A 81 -8.656 1.166 5.132 1.00 0.00 C ATOM 1264 O HIS A 81 -8.115 1.039 6.233 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.171 1.128 4.670 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.734 1.702 5.955 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -13.060 2.018 6.159 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.052 2.087 7.081 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -13.178 2.568 7.378 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.974 2.647 7.966 1.00 0.00 N ATOM 0 H HIS A 81 -9.666 -0.498 6.664 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.690 -0.119 3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.996 1.954 3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.937 0.496 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.991 1.977 7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -14.106 2.899 7.821 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.772 3.041 8.885 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.247 2.075 4.251 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.251 3.097 4.544 1.00 0.00 C ATOM 1280 C GLY A 82 -7.202 4.105 3.407 1.00 0.00 C ATOM 1281 O GLY A 82 -7.582 3.765 2.285 1.00 0.00 O ATOM 0 H GLY A 82 -8.606 2.121 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.497 3.601 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.272 2.637 4.677 1.00 0.00 H new ATOM 1285 N MET A 83 -6.701 5.320 3.643 1.00 0.00 N ATOM 1286 CA MET A 83 -6.693 6.361 2.610 1.00 0.00 C ATOM 1287 C MET A 83 -5.347 6.450 1.886 1.00 0.00 C ATOM 1288 O MET A 83 -4.311 6.086 2.441 1.00 0.00 O ATOM 1289 CB MET A 83 -7.080 7.723 3.196 1.00 0.00 C ATOM 1290 CG MET A 83 -8.353 7.651 4.041 1.00 0.00 C ATOM 1291 SD MET A 83 -9.194 9.234 4.252 1.00 0.00 S ATOM 1292 CE MET A 83 -10.320 9.147 2.841 1.00 0.00 C ATOM 0 H MET A 83 -6.298 5.607 4.535 1.00 0.00 H new ATOM 0 HA MET A 83 -7.441 6.075 1.871 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.261 8.098 3.809 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.225 8.437 2.385 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.043 6.945 3.578 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.101 7.253 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.706 10.142 2.622 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.785 8.766 1.971 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.149 8.480 3.078 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.353 7.005 0.677 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.238 7.423 -0.165 1.00 0.00 C ATOM 1304 C LEU A 84 -4.240 8.960 -0.149 1.00 0.00 C ATOM 1305 O LEU A 84 -4.812 9.563 -1.055 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.439 6.895 -1.614 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.779 5.568 -2.010 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.270 5.694 -2.180 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -4.067 4.448 -1.035 1.00 0.00 C ATOM 0 H LEU A 84 -6.241 7.193 0.212 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.290 7.027 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.511 6.795 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.077 7.662 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.228 5.316 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.853 4.727 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.051 6.423 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.824 6.023 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.572 3.537 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.694 4.720 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.143 4.279 -0.983 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.692 9.617 0.885 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.465 11.055 0.898 1.00 0.00 C ATOM 1323 C PRO A 85 -2.112 11.390 0.251 1.00 0.00 C ATOM 1324 O PRO A 85 -1.165 10.599 0.326 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.468 11.419 2.385 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.837 10.192 3.027 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.342 9.043 2.168 1.00 0.00 C ATOM 0 HA PRO A 85 -4.217 11.608 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.891 12.322 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.477 11.598 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.749 10.250 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.144 10.081 4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.576 8.276 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.206 8.564 2.628 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.993 12.595 -0.306 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.813 13.066 -1.027 1.00 0.00 C ATOM 1337 C GLY A 86 -0.791 12.590 -2.474 1.00 0.00 C ATOM 1338 O GLY A 86 0.272 12.483 -3.097 1.00 0.00 O ATOM 0 H GLY A 86 -2.738 13.290 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.787 14.155 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.085 12.716 -0.518 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.969 12.274 -3.004 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.178 11.945 -4.391 1.00 0.00 C ATOM 1344 C LEU A 87 -2.594 13.226 -5.084 1.00 0.00 C ATOM 1345 O LEU A 87 -2.955 14.214 -4.441 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.257 10.858 -4.500 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.741 9.441 -4.208 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.914 8.900 -5.360 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.901 9.292 -2.931 1.00 0.00 C ATOM 0 H LEU A 87 -2.826 12.242 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.278 11.549 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.065 11.090 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.682 10.880 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.659 8.871 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.566 7.896 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.525 8.865 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.056 9.551 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.588 8.254 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.021 9.931 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.497 9.585 -2.067 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.558 13.182 -6.403 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.856 14.323 -7.249 1.00 0.00 C ATOM 1363 C GLU A 88 -4.019 13.955 -8.170 1.00 0.00 C ATOM 1364 O GLU A 88 -4.176 12.775 -8.510 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.572 14.805 -7.961 1.00 0.00 C ATOM 1366 CG GLU A 88 -1.599 14.719 -9.494 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.423 15.428 -10.145 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.726 14.975 -9.968 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.644 16.502 -10.762 1.00 0.00 O ATOM 0 H GLU A 88 -2.317 12.339 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.188 15.185 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.385 15.840 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.731 14.216 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.597 13.671 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.528 15.154 -9.861 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.822 14.951 -8.569 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.953 14.745 -9.448 1.00 0.00 C ATOM 1378 C PRO A 89 -5.513 14.405 -10.872 1.00 0.00 C ATOM 1379 O PRO A 89 -4.323 14.378 -11.189 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.756 16.039 -9.393 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.872 17.089 -8.746 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.673 16.349 -8.194 1.00 0.00 C ATOM 0 HA PRO A 89 -6.554 13.893 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.053 16.350 -10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.671 15.899 -8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.565 17.841 -9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.406 17.612 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.748 16.760 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.621 16.454 -7.110 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.491 14.223 -11.759 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.307 14.212 -13.202 1.00 0.00 C ATOM 1392 C PHE A 90 -5.219 13.211 -13.619 1.00 0.00 C ATOM 1393 O PHE A 90 -4.415 13.469 -14.517 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.049 15.669 -13.630 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.307 16.042 -15.074 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.385 15.500 -15.798 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.504 17.032 -15.667 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -7.628 15.926 -17.112 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -5.740 17.453 -16.985 1.00 0.00 C ATOM 1400 CZ PHE A 90 -6.805 16.895 -17.710 1.00 0.00 C ATOM 0 H PHE A 90 -7.461 14.075 -11.480 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.194 13.855 -13.726 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.664 16.315 -13.003 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.009 15.904 -13.405 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.024 14.758 -15.343 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.696 17.474 -15.102 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.453 15.506 -17.668 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.107 18.201 -17.438 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.991 17.210 -18.726 1.00 0.00 H new ATOM 1410 N SER A 91 -5.163 12.076 -12.921 1.00 0.00 N ATOM 1411 CA SER A 91 -4.114 11.073 -13.019 1.00 0.00 C ATOM 1412 C SER A 91 -4.717 9.680 -12.804 1.00 0.00 C ATOM 1413 O SER A 91 -5.757 9.537 -12.141 1.00 0.00 O ATOM 1414 CB SER A 91 -3.057 11.376 -11.948 1.00 0.00 C ATOM 1415 OG SER A 91 -2.485 12.661 -12.122 1.00 0.00 O ATOM 0 H SER A 91 -5.882 11.824 -12.243 1.00 0.00 H new ATOM 0 HA SER A 91 -3.650 11.097 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.512 11.311 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.272 10.620 -11.988 1.00 0.00 H new ATOM 0 HG SER A 91 -3.042 13.331 -11.673 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.049 8.655 -13.336 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.350 7.249 -13.090 1.00 0.00 C ATOM 1423 C HIS A 92 -3.345 6.740 -12.056 1.00 0.00 C ATOM 1424 O HIS A 92 -2.218 7.241 -11.983 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.243 6.464 -14.415 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.086 5.212 -14.563 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.867 4.223 -15.500 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.276 4.926 -13.941 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.897 3.365 -15.434 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.783 3.742 -14.495 1.00 0.00 N ATOM 0 H HIS A 92 -3.260 8.788 -13.969 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.363 7.116 -12.709 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.503 7.142 -15.228 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.199 6.184 -14.555 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.741 5.511 -13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.001 2.487 -16.054 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.647 3.264 -14.238 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.718 5.713 -11.297 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.865 5.095 -10.295 1.00 0.00 C ATOM 1440 C TYR A 93 -3.108 3.595 -10.280 1.00 0.00 C ATOM 1441 O TYR A 93 -4.197 3.125 -10.622 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.173 5.684 -8.912 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.875 7.163 -8.797 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.558 7.588 -8.544 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.898 8.110 -8.998 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -1.257 8.959 -8.503 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -3.606 9.483 -8.944 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.282 9.910 -8.703 1.00 0.00 C ATOM 1449 OH TYR A 93 -1.986 11.232 -8.636 1.00 0.00 O ATOM 0 H TYR A 93 -4.640 5.281 -11.365 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.821 5.291 -10.540 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.225 5.516 -8.682 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.593 5.147 -8.161 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.778 6.859 -8.381 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.908 7.780 -9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.244 9.286 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.392 10.210 -9.086 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.763 11.756 -8.921 1.00 0.00 H new ATOM 1459 N THR A 94 -2.106 2.862 -9.807 1.00 0.00 N ATOM 1460 CA THR A 94 -2.180 1.433 -9.516 1.00 0.00 C ATOM 1461 C THR A 94 -1.726 1.249 -8.065 1.00 0.00 C ATOM 1462 O THR A 94 -0.780 1.919 -7.661 1.00 0.00 O ATOM 1463 CB THR A 94 -1.283 0.687 -10.521 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.627 1.052 -11.850 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.383 -0.836 -10.405 1.00 0.00 C ATOM 0 H THR A 94 -1.188 3.259 -9.608 1.00 0.00 H new ATOM 0 HA THR A 94 -3.187 1.028 -9.619 1.00 0.00 H new ATOM 0 HB THR A 94 -0.260 0.978 -10.283 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.181 1.893 -12.084 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.727 -1.301 -11.141 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.083 -1.145 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.411 -1.148 -10.588 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.377 0.388 -7.272 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.001 0.030 -5.901 1.00 0.00 C ATOM 1475 C LEU A 95 -2.256 -1.453 -5.653 1.00 0.00 C ATOM 1476 O LEU A 95 -3.084 -2.061 -6.327 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.727 0.893 -4.852 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.266 0.855 -4.685 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.058 0.765 -5.984 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.747 -0.281 -3.769 1.00 0.00 C ATOM 0 H LEU A 95 -3.217 -0.099 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.935 0.230 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.299 0.637 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.458 1.929 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.468 1.824 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.124 0.744 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.835 1.631 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.782 -0.145 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.834 -0.252 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.437 -1.240 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.311 -0.158 -2.777 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.626 -2.035 -4.632 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.036 -3.350 -4.118 1.00 0.00 C ATOM 1494 C ASN A 96 -1.687 -3.487 -2.650 1.00 0.00 C ATOM 1495 O ASN A 96 -0.644 -3.012 -2.192 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.454 -4.557 -4.883 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.012 -4.417 -5.323 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.304 -4.546 -6.501 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.900 -4.138 -4.413 1.00 0.00 N ATOM 0 H ASN A 96 -0.832 -1.621 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.115 -3.376 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.538 -5.441 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.069 -4.737 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.876 -4.028 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.629 -4.032 -3.435 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.561 -4.195 -1.948 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.551 -4.418 -0.518 1.00 0.00 C ATOM 1508 C VAL A 97 -1.731 -5.684 -0.245 1.00 0.00 C ATOM 1509 O VAL A 97 -1.656 -6.578 -1.090 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.015 -4.551 -0.031 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.108 -4.428 1.496 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.987 -3.529 -0.657 1.00 0.00 C ATOM 0 H VAL A 97 -3.349 -4.659 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.095 -3.590 0.024 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.321 -5.544 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.148 -4.526 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.515 -5.216 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.727 -3.455 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.990 -3.692 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.660 -2.519 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.999 -3.654 -1.740 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.105 -5.781 0.929 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.223 -6.884 1.293 1.00 0.00 C ATOM 1524 C ARG A 98 -0.241 -7.022 2.819 1.00 0.00 C ATOM 1525 O ARG A 98 -0.280 -6.010 3.536 1.00 0.00 O ATOM 1526 CB ARG A 98 1.181 -6.560 0.728 1.00 0.00 C ATOM 1527 CG ARG A 98 1.842 -7.706 -0.041 1.00 0.00 C ATOM 1528 CD ARG A 98 3.371 -7.613 0.000 1.00 0.00 C ATOM 1529 NE ARG A 98 3.964 -8.800 -0.624 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.498 -8.905 -1.842 1.00 0.00 C ATOM 1531 NH1 ARG A 98 4.450 -7.899 -2.709 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.078 -10.042 -2.197 1.00 0.00 N ATOM 0 H ARG A 98 -1.200 -5.081 1.665 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.540 -7.840 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.101 -5.696 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.832 -6.272 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.525 -8.659 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.505 -7.690 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.703 -6.715 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.711 -7.527 1.032 1.00 0.00 H new ATOM 0 HE ARG A 98 3.969 -9.649 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.998 -7.023 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.866 -8.003 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.112 -10.823 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.490 -10.136 -3.125 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.259 -8.254 3.321 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.474 -8.566 4.729 1.00 0.00 C ATOM 1548 C VAL A 99 0.850 -8.930 5.394 1.00 0.00 C ATOM 1549 O VAL A 99 1.650 -9.673 4.830 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.591 -9.628 4.911 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.678 -9.562 3.825 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -1.082 -11.062 5.001 1.00 0.00 C ATOM 0 H VAL A 99 -0.121 -9.084 2.744 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.844 -7.680 5.245 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.028 -9.359 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.427 -10.331 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.153 -8.581 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.226 -9.727 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.926 -11.740 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.546 -11.316 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.410 -11.157 5.854 1.00 0.00 H new ATOM 1562 N VAL A 100 1.117 -8.393 6.576 1.00 0.00 N ATOM 1563 CA VAL A 100 2.417 -8.525 7.223 1.00 0.00 C ATOM 1564 C VAL A 100 2.206 -8.960 8.666 1.00 0.00 C ATOM 1565 O VAL A 100 1.223 -8.564 9.308 1.00 0.00 O ATOM 1566 CB VAL A 100 3.193 -7.197 7.088 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.563 -7.252 7.779 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.389 -6.830 5.604 1.00 0.00 C ATOM 0 H VAL A 100 0.439 -7.853 7.114 1.00 0.00 H new ATOM 0 HA VAL A 100 3.025 -9.291 6.742 1.00 0.00 H new ATOM 0 HB VAL A 100 2.593 -6.433 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.071 -6.295 7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.427 -7.458 8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.165 -8.042 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.938 -5.891 5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.952 -7.619 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.416 -6.720 5.125 1.00 0.00 H new ATOM 1578 N ASN A 101 3.134 -9.765 9.176 1.00 0.00 N ATOM 1579 CA ASN A 101 3.204 -10.193 10.564 1.00 0.00 C ATOM 1580 C ASN A 101 4.638 -10.038 11.075 1.00 0.00 C ATOM 1581 O ASN A 101 5.517 -9.563 10.345 1.00 0.00 O ATOM 1582 CB ASN A 101 2.679 -11.637 10.701 1.00 0.00 C ATOM 1583 CG ASN A 101 3.596 -12.723 10.134 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.724 -12.492 9.719 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.139 -13.962 10.134 1.00 0.00 N ATOM 0 H ASN A 101 3.888 -10.151 8.607 1.00 0.00 H new ATOM 0 HA ASN A 101 2.565 -9.564 11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.507 -11.845 11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.712 -11.704 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.725 -14.722 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.200 -14.159 10.479 1.00 0.00 H new ATOM 1592 N GLY A 102 4.884 -10.411 12.334 1.00 0.00 N ATOM 1593 CA GLY A 102 6.202 -10.365 12.961 1.00 0.00 C ATOM 1594 C GLY A 102 7.091 -11.504 12.466 1.00 0.00 C ATOM 1595 O GLY A 102 7.583 -12.296 13.271 1.00 0.00 O ATOM 0 H GLY A 102 4.155 -10.760 12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.678 -9.409 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.095 -10.429 14.044 1.00 0.00 H new ATOM 1599 N LYS A 103 7.234 -11.642 11.149 1.00 0.00 N ATOM 1600 CA LYS A 103 8.144 -12.545 10.473 1.00 0.00 C ATOM 1601 C LYS A 103 8.320 -12.116 9.018 1.00 0.00 C ATOM 1602 O LYS A 103 9.398 -12.333 8.467 1.00 0.00 O ATOM 1603 CB LYS A 103 7.619 -13.990 10.558 1.00 0.00 C ATOM 1604 CG LYS A 103 8.659 -14.997 10.069 1.00 0.00 C ATOM 1605 CD LYS A 103 9.910 -15.073 10.954 1.00 0.00 C ATOM 1606 CE LYS A 103 11.168 -15.212 10.092 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.366 -15.263 10.943 1.00 0.00 N ATOM 0 H LYS A 103 6.682 -11.090 10.493 1.00 0.00 H new ATOM 0 HA LYS A 103 9.116 -12.506 10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.347 -14.219 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.712 -14.084 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.200 -15.984 10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.958 -14.733 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.982 -14.177 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.831 -15.922 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.105 -16.116 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.239 -14.371 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.212 -15.357 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.432 -14.388 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.302 -16.079 11.584 1.00 0.00 H new ATOM 1621 N GLY A 104 7.296 -11.531 8.390 1.00 0.00 N ATOM 1622 CA GLY A 104 7.432 -11.031 7.034 1.00 0.00 C ATOM 1623 C GLY A 104 6.102 -10.850 6.319 1.00 0.00 C ATOM 1624 O GLY A 104 5.026 -10.846 6.924 1.00 0.00 O ATOM 0 H GLY A 104 6.373 -11.396 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.956 -10.075 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.053 -11.720 6.461 1.00 0.00 H new ATOM 1628 N GLU A 105 6.229 -10.646 5.014 1.00 0.00 N ATOM 1629 CA GLU A 105 5.196 -10.460 4.014 1.00 0.00 C ATOM 1630 C GLU A 105 4.749 -11.822 3.451 1.00 0.00 C ATOM 1631 O GLU A 105 5.382 -12.863 3.669 1.00 0.00 O ATOM 1632 CB GLU A 105 5.777 -9.580 2.882 1.00 0.00 C ATOM 1633 CG GLU A 105 6.361 -8.246 3.376 1.00 0.00 C ATOM 1634 CD GLU A 105 6.476 -7.197 2.268 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.342 -7.378 1.366 1.00 0.00 O ATOM 1636 OE2 GLU A 105 5.789 -6.165 2.347 1.00 0.00 O ATOM 0 H GLU A 105 7.156 -10.603 4.591 1.00 0.00 H new ATOM 0 HA GLU A 105 4.326 -9.976 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.556 -10.138 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.993 -9.376 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.732 -7.854 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.347 -8.424 3.804 1.00 0.00 H new ATOM 1643 N GLY A 106 3.656 -11.816 2.693 1.00 0.00 N ATOM 1644 CA GLY A 106 3.098 -12.907 1.902 1.00 0.00 C ATOM 1645 C GLY A 106 2.593 -12.375 0.555 1.00 0.00 C ATOM 1646 O GLY A 106 3.080 -11.339 0.095 1.00 0.00 O ATOM 0 H GLY A 106 3.089 -10.972 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.856 -13.673 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.280 -13.379 2.445 1.00 0.00 H new ATOM 1650 N PRO A 107 1.629 -13.055 -0.090 1.00 0.00 N ATOM 1651 CA PRO A 107 1.142 -12.685 -1.418 1.00 0.00 C ATOM 1652 C PRO A 107 0.375 -11.370 -1.398 1.00 0.00 C ATOM 1653 O PRO A 107 -0.427 -11.107 -0.498 1.00 0.00 O ATOM 1654 CB PRO A 107 0.261 -13.852 -1.866 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.229 -14.465 -0.557 1.00 0.00 C ATOM 1656 CD PRO A 107 0.889 -14.191 0.445 1.00 0.00 C ATOM 0 HA PRO A 107 1.966 -12.517 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.570 -13.511 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.824 -14.573 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.168 -14.013 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.410 -15.534 -0.665 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.484 -13.965 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.536 -15.061 0.558 1.00 0.00 H new ATOM 1664 N ALA A 108 0.635 -10.536 -2.394 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.082 -9.296 -2.607 1.00 0.00 C ATOM 1666 C ALA A 108 -1.491 -9.583 -3.111 1.00 0.00 C ATOM 1667 O ALA A 108 -1.754 -10.637 -3.695 1.00 0.00 O ATOM 1668 CB ALA A 108 0.694 -8.485 -3.638 1.00 0.00 C ATOM 0 H ALA A 108 1.364 -10.709 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.168 -8.740 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.179 -7.542 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.697 -8.283 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.762 -9.049 -4.568 1.00 0.00 H new ATOM 1674 N SER A 109 -2.386 -8.615 -2.932 1.00 0.00 N ATOM 1675 CA SER A 109 -3.687 -8.617 -3.582 1.00 0.00 C ATOM 1676 C SER A 109 -3.511 -8.536 -5.109 1.00 0.00 C ATOM 1677 O SER A 109 -2.404 -8.248 -5.586 1.00 0.00 O ATOM 1678 CB SER A 109 -4.518 -7.455 -3.012 1.00 0.00 C ATOM 1679 OG SER A 109 -4.089 -6.171 -3.447 1.00 0.00 O ATOM 0 H SER A 109 -2.226 -7.807 -2.330 1.00 0.00 H new ATOM 0 HA SER A 109 -4.224 -9.544 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.561 -7.594 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.476 -7.491 -1.923 1.00 0.00 H new ATOM 0 HG SER A 109 -4.297 -6.061 -4.398 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.595 -8.644 -5.896 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.612 -8.039 -7.218 1.00 0.00 C ATOM 1687 C PRO A 110 -4.179 -6.573 -7.115 1.00 0.00 C ATOM 1688 O PRO A 110 -4.541 -5.868 -6.163 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.046 -8.197 -7.739 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.877 -8.464 -6.484 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.899 -9.205 -5.578 1.00 0.00 C ATOM 0 HA PRO A 110 -3.916 -8.514 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.383 -7.298 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.123 -9.020 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.228 -7.538 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.759 -9.066 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.146 -9.059 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.923 -10.279 -5.765 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.392 -6.138 -8.097 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.158 -4.739 -8.430 1.00 0.00 C ATOM 1701 C ASP A 111 -4.497 -4.129 -8.818 1.00 0.00 C ATOM 1702 O ASP A 111 -5.083 -4.461 -9.846 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.068 -4.569 -9.501 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.173 -5.558 -10.653 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -1.687 -6.706 -10.489 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -2.709 -5.222 -11.725 1.00 0.00 O ATOM 0 H ASP A 111 -2.881 -6.778 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.762 -4.203 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.119 -3.556 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.091 -4.677 -9.031 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.044 -3.314 -7.920 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.217 -2.499 -8.176 1.00 0.00 C ATOM 1713 C ARG A 112 -5.758 -1.195 -8.814 1.00 0.00 C ATOM 1714 O ARG A 112 -4.571 -0.857 -8.792 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.991 -2.273 -6.860 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.030 -3.380 -6.609 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.244 -3.152 -7.504 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.095 -4.324 -7.753 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.036 -4.360 -8.708 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -11.284 -3.281 -9.446 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -11.740 -5.467 -8.919 1.00 0.00 N ATOM 0 H ARG A 112 -4.673 -3.203 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.902 -2.996 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.289 -2.238 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.492 -1.306 -6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.592 -4.357 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.332 -3.379 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.859 -2.371 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.895 -2.771 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.963 -5.151 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.758 -2.422 -9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.001 -3.313 -10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.567 -6.297 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.454 -5.486 -9.647 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.702 -0.447 -9.375 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.411 0.786 -10.092 1.00 0.00 C ATOM 1737 C VAL A 113 -7.448 1.839 -9.707 1.00 0.00 C ATOM 1738 O VAL A 113 -8.549 1.486 -9.263 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.313 0.512 -11.607 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.320 -0.620 -11.932 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.675 0.151 -12.195 1.00 0.00 C ATOM 0 H VAL A 113 -7.694 -0.681 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.438 1.186 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.951 1.437 -12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.286 -0.776 -13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.327 -0.348 -11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.643 -1.539 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.572 -0.036 -13.264 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.057 -0.745 -11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.370 0.976 -12.036 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.126 3.118 -9.875 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.084 4.201 -9.708 1.00 0.00 C ATOM 1753 C PHE A 114 -7.682 5.380 -10.584 1.00 0.00 C ATOM 1754 O PHE A 114 -6.506 5.742 -10.660 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.233 4.595 -8.225 1.00 0.00 C ATOM 1756 CG PHE A 114 -6.988 5.015 -7.467 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.189 4.024 -6.874 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.700 6.371 -7.226 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.144 4.377 -6.007 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.649 6.727 -6.356 1.00 0.00 C ATOM 1761 CZ PHE A 114 -4.882 5.727 -5.729 1.00 0.00 C ATOM 0 H PHE A 114 -6.190 3.431 -10.132 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.067 3.861 -10.032 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.950 5.414 -8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.674 3.749 -7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.380 2.983 -7.087 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.285 7.140 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.539 3.607 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.432 7.769 -6.170 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.097 5.997 -5.038 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.661 5.985 -11.254 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.552 7.322 -11.820 1.00 0.00 C ATOM 1773 C ASN A 115 -8.937 8.317 -10.734 1.00 0.00 C ATOM 1774 O ASN A 115 -9.686 7.973 -9.821 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.509 7.491 -13.014 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.944 7.757 -12.559 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.642 6.832 -12.143 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.384 9.003 -12.583 1.00 0.00 N ATOM 0 H ASN A 115 -9.568 5.549 -11.420 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.533 7.488 -12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.167 8.316 -13.640 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.484 6.592 -13.630 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.324 9.218 -12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.783 9.749 -12.933 1.00 0.00 H new ATOM 1785 N THR A 116 -8.518 9.564 -10.895 1.00 0.00 N ATOM 1786 CA THR A 116 -8.970 10.686 -10.083 1.00 0.00 C ATOM 1787 C THR A 116 -9.826 11.621 -10.958 1.00 0.00 C ATOM 1788 O THR A 116 -9.749 11.529 -12.195 1.00 0.00 O ATOM 1789 CB THR A 116 -7.732 11.371 -9.474 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.705 11.504 -10.438 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.144 10.586 -8.297 1.00 0.00 C ATOM 0 H THR A 116 -7.840 9.830 -11.609 1.00 0.00 H new ATOM 0 HA THR A 116 -9.603 10.367 -9.255 1.00 0.00 H new ATOM 0 HB THR A 116 -8.077 12.345 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.879 11.793 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.274 11.114 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.894 10.491 -7.512 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.845 9.594 -8.635 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.638 12.519 -10.369 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.274 13.592 -11.113 1.00 0.00 C ATOM 1801 C PRO A 117 -10.221 14.650 -11.464 1.00 0.00 C ATOM 1802 O PRO A 117 -9.129 14.648 -10.897 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.375 14.118 -10.194 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.780 13.925 -8.806 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.903 12.682 -8.947 1.00 0.00 C ATOM 0 HA PRO A 117 -11.707 13.275 -12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.602 15.165 -10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.304 13.561 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.196 14.792 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.557 13.782 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.973 12.799 -8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.408 11.804 -8.544 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.538 15.569 -12.377 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.609 16.588 -12.873 1.00 0.00 C ATOM 1815 C GLU A 118 -9.152 17.555 -11.767 1.00 0.00 C ATOM 1816 O GLU A 118 -8.091 18.171 -11.860 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.284 17.322 -14.041 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.409 18.452 -14.582 1.00 0.00 C ATOM 1819 CD GLU A 118 -9.929 19.049 -15.891 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -9.797 18.426 -16.962 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.371 20.228 -15.866 1.00 0.00 O ATOM 0 H GLU A 118 -11.464 15.628 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.696 16.105 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.498 16.613 -14.841 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.240 17.729 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.343 19.241 -13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.398 18.076 -14.739 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.923 17.651 -10.690 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.608 18.449 -9.519 1.00 0.00 C ATOM 1830 C GLY A 119 -10.080 19.877 -9.722 1.00 0.00 C ATOM 1831 O GLY A 119 -11.268 20.094 -10.004 1.00 0.00 O ATOM 0 H GLY A 119 -10.812 17.158 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.086 18.021 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.533 18.435 -9.337 1.00 0.00 H new