USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 638 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 Single : A 51 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 136:sc= 0.257 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 158:sc= 0.0123 (180deg=-0.623) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.48) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.33) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.1 K(o=-2.1,f=-11!) USER MOD Single : A 107 SER OG : rot -117:sc= 0.838 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -148:sc= -0.192 (180deg=-0.989) USER MOD Single : A 127 SER OG : rot 15:sc= 0.515 USER MOD Single : A 128 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.236) USER MOD Single : A 134 TYR OH : rot -15:sc= -3.58! USER MOD Single : A 137 SER OG : rot 70:sc= 0.707 USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.169) USER MOD Single : A 139 THR OG1 : rot 54:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.315 -7.063 -8.683 1.00 0.00 N ATOM 92 CA ASN A 51 -4.228 -8.522 -8.664 1.00 0.00 C ATOM 93 C ASN A 51 -3.202 -9.003 -7.634 1.00 0.00 C ATOM 94 O ASN A 51 -2.643 -8.203 -6.879 1.00 0.00 O ATOM 95 CB ASN A 51 -3.857 -9.042 -10.059 1.00 0.00 C ATOM 96 CG ASN A 51 -4.617 -10.304 -10.431 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.842 -10.291 -10.544 1.00 0.00 O ATOM 98 ND2 ASN A 51 -3.893 -11.402 -10.618 1.00 0.00 N ATOM 0 HA ASN A 51 -5.203 -8.917 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.062 -8.267 -10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.786 -9.243 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.351 -12.279 -10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.879 -11.368 -10.514 1.00 0.00 H new ATOM 105 N PHE A 52 -2.963 -10.316 -7.611 1.00 0.00 N ATOM 106 CA PHE A 52 -2.006 -10.914 -6.680 1.00 0.00 C ATOM 107 C PHE A 52 -0.583 -10.474 -7.007 1.00 0.00 C ATOM 108 O PHE A 52 -0.157 -10.526 -8.163 1.00 0.00 O ATOM 109 CB PHE A 52 -2.097 -12.445 -6.716 1.00 0.00 C ATOM 110 CG PHE A 52 -3.506 -12.969 -6.634 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.398 -12.453 -5.709 1.00 0.00 C ATOM 112 CD2 PHE A 52 -3.938 -13.973 -7.486 1.00 0.00 C ATOM 113 CE1 PHE A 52 -5.692 -12.924 -5.634 1.00 0.00 C ATOM 114 CE2 PHE A 52 -5.233 -14.451 -7.415 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.111 -13.925 -6.487 1.00 0.00 C ATOM 0 H PHE A 52 -3.421 -10.986 -8.229 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.258 -10.569 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.637 -12.806 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.518 -12.854 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.076 -11.671 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.255 -14.387 -8.214 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.377 -12.510 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.558 -15.234 -8.084 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.123 -14.296 -6.429 1.00 0.00 H new ATOM 125 N GLY A 53 0.145 -10.034 -5.981 1.00 0.00 N ATOM 126 CA GLY A 53 1.511 -9.579 -6.169 1.00 0.00 C ATOM 127 C GLY A 53 1.582 -8.194 -6.788 1.00 0.00 C ATOM 128 O GLY A 53 2.541 -7.876 -7.494 1.00 0.00 O ATOM 0 H GLY A 53 -0.191 -9.985 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.023 -9.570 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.042 -10.286 -6.806 1.00 0.00 H new ATOM 132 N ASP A 54 0.565 -7.372 -6.523 1.00 0.00 N ATOM 133 CA ASP A 54 0.512 -6.015 -7.056 1.00 0.00 C ATOM 134 C ASP A 54 0.539 -4.989 -5.925 1.00 0.00 C ATOM 135 O ASP A 54 -0.328 -4.997 -5.047 1.00 0.00 O ATOM 136 CB ASP A 54 -0.752 -5.827 -7.903 1.00 0.00 C ATOM 137 CG ASP A 54 -0.596 -4.736 -8.944 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.536 -3.550 -8.555 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.532 -5.068 -10.146 1.00 0.00 O ATOM 0 H ASP A 54 -0.233 -7.626 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 54 1.388 -5.861 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.996 -6.766 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.590 -5.585 -7.250 1.00 0.00 H new ATOM 144 N ARG A 55 1.541 -4.110 -5.951 1.00 0.00 N ATOM 145 CA ARG A 55 1.683 -3.075 -4.928 1.00 0.00 C ATOM 146 C ARG A 55 0.504 -2.106 -4.971 1.00 0.00 C ATOM 147 O ARG A 55 0.282 -1.425 -5.974 1.00 0.00 O ATOM 148 CB ARG A 55 3.005 -2.309 -5.093 1.00 0.00 C ATOM 149 CG ARG A 55 3.265 -1.804 -6.508 1.00 0.00 C ATOM 150 CD ARG A 55 4.182 -2.743 -7.276 1.00 0.00 C ATOM 151 NE ARG A 55 5.271 -2.033 -7.947 1.00 0.00 N ATOM 152 CZ ARG A 55 6.009 -2.554 -8.931 1.00 0.00 C ATOM 153 NH1 ARG A 55 5.773 -3.792 -9.369 1.00 0.00 N ATOM 154 NH2 ARG A 55 6.982 -1.839 -9.483 1.00 0.00 N ATOM 0 H ARG A 55 2.265 -4.094 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 55 1.694 -3.570 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.007 -1.459 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.828 -2.959 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.318 -1.703 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.713 -0.811 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.600 -3.480 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.599 -3.291 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 55 5.480 -1.081 -7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.025 -4.347 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.340 -4.184 -10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.167 -0.891 -9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.545 -2.238 -10.234 1.00 0.00 H new ATOM 168 N ILE A 56 -0.249 -2.056 -3.874 1.00 0.00 N ATOM 169 CA ILE A 56 -1.412 -1.176 -3.774 1.00 0.00 C ATOM 170 C ILE A 56 -1.355 -0.325 -2.506 1.00 0.00 C ATOM 171 O ILE A 56 -0.724 -0.702 -1.518 1.00 0.00 O ATOM 172 CB ILE A 56 -2.734 -1.977 -3.798 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.812 -2.943 -2.610 1.00 0.00 C ATOM 174 CG2 ILE A 56 -2.868 -2.738 -5.110 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.144 -3.651 -2.497 1.00 0.00 C ATOM 0 H ILE A 56 -0.074 -2.616 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.386 -0.519 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.560 -1.271 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.021 -3.687 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.623 -2.391 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.804 -3.297 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.865 -2.033 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.032 -3.429 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.129 -4.318 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.938 -2.915 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.326 -4.231 -3.402 1.00 0.00 H new ATOM 187 N LEU A 57 -2.027 0.823 -2.537 1.00 0.00 N ATOM 188 CA LEU A 57 -2.055 1.722 -1.389 1.00 0.00 C ATOM 189 C LEU A 57 -3.271 1.428 -0.520 1.00 0.00 C ATOM 190 O LEU A 57 -4.334 1.085 -1.030 1.00 0.00 O ATOM 191 CB LEU A 57 -2.084 3.181 -1.850 1.00 0.00 C ATOM 192 CG LEU A 57 -1.044 4.089 -1.191 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.354 3.743 -1.683 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.362 5.551 -1.468 1.00 0.00 C ATOM 0 H LEU A 57 -2.558 1.151 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.151 1.559 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.936 3.208 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.076 3.588 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.078 3.928 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.081 4.399 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.581 2.706 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.403 3.876 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.612 6.183 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.355 5.727 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.347 5.791 -1.067 1.00 0.00 H new ATOM 206 N VAL A 58 -3.107 1.553 0.792 1.00 0.00 N ATOM 207 CA VAL A 58 -4.198 1.288 1.721 1.00 0.00 C ATOM 208 C VAL A 58 -4.190 2.284 2.880 1.00 0.00 C ATOM 209 O VAL A 58 -3.154 2.517 3.506 1.00 0.00 O ATOM 210 CB VAL A 58 -4.127 -0.153 2.268 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.829 -0.383 3.030 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.334 -0.458 3.142 1.00 0.00 C ATOM 0 H VAL A 58 -2.232 1.835 1.235 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.130 1.405 1.167 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.142 -0.838 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.804 -1.406 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.982 -0.220 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.771 0.312 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.263 -1.479 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.360 0.236 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.246 -0.350 2.554 1.00 0.00 H new ATOM 222 N LYS A 59 -5.353 2.867 3.159 1.00 0.00 N ATOM 223 CA LYS A 59 -5.489 3.836 4.239 1.00 0.00 C ATOM 224 C LYS A 59 -5.882 3.143 5.542 1.00 0.00 C ATOM 225 O LYS A 59 -6.980 2.598 5.659 1.00 0.00 O ATOM 226 CB LYS A 59 -6.530 4.895 3.868 1.00 0.00 C ATOM 227 CG LYS A 59 -6.194 6.288 4.374 1.00 0.00 C ATOM 228 CD LYS A 59 -7.239 6.791 5.357 1.00 0.00 C ATOM 229 CE LYS A 59 -7.407 8.301 5.272 1.00 0.00 C ATOM 230 NZ LYS A 59 -6.626 9.014 6.324 1.00 0.00 N ATOM 0 H LYS A 59 -6.217 2.683 2.649 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.525 4.323 4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.631 4.927 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.498 4.596 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.216 6.275 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.125 6.976 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.194 6.306 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.950 6.513 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.088 8.646 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.463 8.554 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.144 9.834 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.269 9.338 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.919 8.368 6.729 1.00 0.00 H new ATOM 244 N ALA A 60 -4.976 3.168 6.519 1.00 0.00 N ATOM 245 CA ALA A 60 -5.227 2.542 7.816 1.00 0.00 C ATOM 246 C ALA A 60 -6.142 3.409 8.680 1.00 0.00 C ATOM 247 O ALA A 60 -6.319 4.602 8.411 1.00 0.00 O ATOM 248 CB ALA A 60 -3.912 2.272 8.534 1.00 0.00 C ATOM 0 H ALA A 60 -4.063 3.615 6.437 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.734 1.593 7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.113 1.806 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.298 1.605 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.382 3.212 8.689 1.00 0.00 H new ATOM 254 N PRO A 61 -6.742 2.824 9.737 1.00 0.00 N ATOM 255 CA PRO A 61 -7.642 3.551 10.643 1.00 0.00 C ATOM 256 C PRO A 61 -6.925 4.679 11.380 1.00 0.00 C ATOM 257 O PRO A 61 -6.050 4.431 12.213 1.00 0.00 O ATOM 258 CB PRO A 61 -8.115 2.477 11.630 1.00 0.00 C ATOM 259 CG PRO A 61 -7.089 1.401 11.550 1.00 0.00 C ATOM 260 CD PRO A 61 -6.589 1.412 10.134 1.00 0.00 C ATOM 0 HA PRO A 61 -8.459 4.032 10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.190 2.876 12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.102 2.102 11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.276 1.584 12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.519 0.432 11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.551 1.085 10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.172 0.748 9.495 1.00 0.00 H new ATOM 268 N GLY A 62 -7.295 5.917 11.057 1.00 0.00 N ATOM 269 CA GLY A 62 -6.674 7.071 11.686 1.00 0.00 C ATOM 270 C GLY A 62 -5.253 7.308 11.200 1.00 0.00 C ATOM 271 O GLY A 62 -4.451 7.927 11.900 1.00 0.00 O ATOM 0 H GLY A 62 -8.015 6.141 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.275 7.957 11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.666 6.930 12.767 1.00 0.00 H new ATOM 275 N TYR A 63 -4.941 6.815 9.998 1.00 0.00 N ATOM 276 CA TYR A 63 -3.610 6.973 9.421 1.00 0.00 C ATOM 277 C TYR A 63 -3.691 7.133 7.903 1.00 0.00 C ATOM 278 O TYR A 63 -4.680 6.736 7.282 1.00 0.00 O ATOM 279 CB TYR A 63 -2.738 5.763 9.775 1.00 0.00 C ATOM 280 CG TYR A 63 -2.434 5.640 11.255 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.554 6.517 11.877 1.00 0.00 C ATOM 282 CD2 TYR A 63 -3.025 4.646 12.027 1.00 0.00 C ATOM 283 CE1 TYR A 63 -1.272 6.408 13.225 1.00 0.00 C ATOM 284 CE2 TYR A 63 -2.750 4.533 13.376 1.00 0.00 C ATOM 285 CZ TYR A 63 -1.871 5.414 13.970 1.00 0.00 C ATOM 286 OH TYR A 63 -1.594 5.302 15.314 1.00 0.00 O ATOM 0 H TYR A 63 -5.596 6.303 9.407 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.160 7.874 9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.239 4.855 9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.799 5.830 9.225 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.083 7.297 11.297 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.710 3.951 11.564 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.586 7.098 13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.221 3.758 13.963 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.099 4.551 15.691 1.00 0.00 H new ATOM 296 N PRO A 64 -2.651 7.722 7.283 1.00 0.00 N ATOM 297 CA PRO A 64 -2.610 7.934 5.828 1.00 0.00 C ATOM 298 C PRO A 64 -2.529 6.619 5.046 1.00 0.00 C ATOM 299 O PRO A 64 -2.648 5.533 5.619 1.00 0.00 O ATOM 300 CB PRO A 64 -1.339 8.769 5.622 1.00 0.00 C ATOM 301 CG PRO A 64 -0.490 8.477 6.808 1.00 0.00 C ATOM 302 CD PRO A 64 -1.436 8.232 7.948 1.00 0.00 C ATOM 0 HA PRO A 64 -3.515 8.420 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.832 8.495 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.572 9.832 5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.140 7.606 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.175 9.313 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.032 7.509 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.638 9.146 8.506 1.00 0.00 H new ATOM 310 N TRP A 65 -2.329 6.726 3.733 1.00 0.00 N ATOM 311 CA TRP A 65 -2.234 5.550 2.871 1.00 0.00 C ATOM 312 C TRP A 65 -0.817 4.978 2.887 1.00 0.00 C ATOM 313 O TRP A 65 0.158 5.712 2.715 1.00 0.00 O ATOM 314 CB TRP A 65 -2.636 5.896 1.433 1.00 0.00 C ATOM 315 CG TRP A 65 -3.982 6.550 1.317 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.312 7.821 1.692 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.178 5.969 0.782 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.636 8.063 1.429 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.190 6.944 0.869 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.493 4.719 0.239 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.492 6.707 0.435 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.785 4.487 -0.194 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.771 5.477 -0.094 1.00 0.00 C ATOM 0 H TRP A 65 -2.230 7.615 3.244 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.922 4.798 3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.883 6.558 1.005 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.634 4.984 0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.629 8.533 2.132 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.128 8.936 1.620 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.740 3.949 0.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.255 7.468 0.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.039 3.526 -0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.771 5.265 -0.442 1.00 0.00 H new ATOM 334 N TRP A 66 -0.711 3.666 3.098 1.00 0.00 N ATOM 335 CA TRP A 66 0.585 2.996 3.137 1.00 0.00 C ATOM 336 C TRP A 66 0.782 2.102 1.911 1.00 0.00 C ATOM 337 O TRP A 66 -0.175 1.507 1.408 1.00 0.00 O ATOM 338 CB TRP A 66 0.716 2.161 4.414 1.00 0.00 C ATOM 339 CG TRP A 66 2.094 2.193 4.993 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.943 1.136 5.153 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.793 3.345 5.474 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.126 1.560 5.705 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.057 2.912 5.912 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.473 4.702 5.574 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.999 3.788 6.443 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.410 5.569 6.100 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.660 5.109 6.529 1.00 0.00 C ATOM 0 H TRP A 66 -1.509 3.047 3.244 1.00 0.00 H new ATOM 0 HA TRP A 66 1.358 3.765 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.007 2.528 5.156 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.443 1.128 4.196 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.717 0.115 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.925 0.966 5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.510 5.066 5.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.964 3.436 6.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.174 6.620 6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.371 5.812 6.936 1.00 0.00 H new ATOM 358 N PRO A 67 2.033 1.991 1.414 1.00 0.00 N ATOM 359 CA PRO A 67 2.354 1.166 0.246 1.00 0.00 C ATOM 360 C PRO A 67 2.423 -0.322 0.585 1.00 0.00 C ATOM 361 O PRO A 67 3.491 -0.851 0.903 1.00 0.00 O ATOM 362 CB PRO A 67 3.727 1.689 -0.177 1.00 0.00 C ATOM 363 CG PRO A 67 4.354 2.136 1.097 1.00 0.00 C ATOM 364 CD PRO A 67 3.234 2.665 1.953 1.00 0.00 C ATOM 0 HA PRO A 67 1.594 1.238 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.318 0.911 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.639 2.511 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.864 1.309 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.102 2.908 0.913 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.388 2.428 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.152 3.749 1.880 1.00 0.00 H new ATOM 372 N ALA A 68 1.277 -0.991 0.511 1.00 0.00 N ATOM 373 CA ALA A 68 1.199 -2.419 0.798 1.00 0.00 C ATOM 374 C ALA A 68 1.160 -3.227 -0.500 1.00 0.00 C ATOM 375 O ALA A 68 1.001 -2.667 -1.584 1.00 0.00 O ATOM 376 CB ALA A 68 -0.023 -2.717 1.656 1.00 0.00 C ATOM 0 H ALA A 68 0.387 -0.565 0.254 1.00 0.00 H new ATOM 0 HA ALA A 68 2.090 -2.712 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.070 -3.786 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.049 -2.168 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.924 -2.410 1.125 1.00 0.00 H new ATOM 382 N LEU A 69 1.309 -4.544 -0.393 1.00 0.00 N ATOM 383 CA LEU A 69 1.286 -5.409 -1.569 1.00 0.00 C ATOM 384 C LEU A 69 0.131 -6.401 -1.488 1.00 0.00 C ATOM 385 O LEU A 69 0.054 -7.200 -0.553 1.00 0.00 O ATOM 386 CB LEU A 69 2.617 -6.155 -1.713 1.00 0.00 C ATOM 387 CG LEU A 69 3.396 -5.849 -2.997 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.894 -5.848 -2.730 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.044 -6.854 -4.084 1.00 0.00 C ATOM 0 H LEU A 69 1.446 -5.034 0.491 1.00 0.00 H new ATOM 0 HA LEU A 69 1.140 -4.782 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.247 -5.912 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.422 -7.227 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 69 3.113 -4.855 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.428 -5.629 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.130 -5.088 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.198 -6.827 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.606 -6.623 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.298 -7.859 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.976 -6.801 -4.296 1.00 0.00 H new ATOM 401 N LEU A 70 -0.767 -6.341 -2.472 1.00 0.00 N ATOM 402 CA LEU A 70 -1.927 -7.231 -2.513 1.00 0.00 C ATOM 403 C LEU A 70 -1.498 -8.691 -2.646 1.00 0.00 C ATOM 404 O LEU A 70 -0.751 -9.048 -3.558 1.00 0.00 O ATOM 405 CB LEU A 70 -2.852 -6.857 -3.675 1.00 0.00 C ATOM 406 CG LEU A 70 -4.345 -7.062 -3.407 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.177 -6.436 -4.516 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.666 -8.544 -3.264 1.00 0.00 C ATOM 0 H LEU A 70 -0.713 -5.685 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.467 -7.113 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.685 -5.811 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.571 -7.447 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.597 -6.567 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.236 -6.592 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.970 -5.367 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.922 -6.900 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.732 -8.669 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.398 -9.065 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.098 -8.961 -2.432 1.00 0.00 H new ATOM 420 N LEU A 71 -1.978 -9.527 -1.727 1.00 0.00 N ATOM 421 CA LEU A 71 -1.655 -10.951 -1.733 1.00 0.00 C ATOM 422 C LEU A 71 -2.816 -11.773 -2.286 1.00 0.00 C ATOM 423 O LEU A 71 -2.631 -12.582 -3.197 1.00 0.00 O ATOM 424 CB LEU A 71 -1.305 -11.424 -0.317 1.00 0.00 C ATOM 425 CG LEU A 71 -0.019 -10.828 0.263 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.244 -10.345 1.688 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.110 -11.847 0.212 1.00 0.00 C ATOM 0 H LEU A 71 -2.594 -9.240 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.791 -11.098 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.134 -11.179 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.213 -12.510 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 71 0.266 -9.969 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.682 -9.925 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.020 -9.580 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.555 -11.183 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.016 -11.407 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.833 -12.726 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.290 -12.139 -0.823 1.00 0.00 H new ATOM 439 N ARG A 72 -4.013 -11.562 -1.732 1.00 0.00 N ATOM 440 CA ARG A 72 -5.204 -12.286 -2.172 1.00 0.00 C ATOM 441 C ARG A 72 -6.484 -11.561 -1.758 1.00 0.00 C ATOM 442 O ARG A 72 -6.481 -10.764 -0.818 1.00 0.00 O ATOM 443 CB ARG A 72 -5.202 -13.708 -1.599 1.00 0.00 C ATOM 444 CG ARG A 72 -4.988 -14.789 -2.649 1.00 0.00 C ATOM 445 CD ARG A 72 -6.000 -15.916 -2.510 1.00 0.00 C ATOM 446 NE ARG A 72 -5.390 -17.231 -2.706 1.00 0.00 N ATOM 447 CZ ARG A 72 -4.651 -17.857 -1.784 1.00 0.00 C ATOM 448 NH1 ARG A 72 -4.424 -17.288 -0.602 1.00 0.00 N ATOM 449 NH2 ARG A 72 -4.134 -19.052 -2.048 1.00 0.00 N ATOM 0 H ARG A 72 -4.181 -10.896 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.179 -12.335 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.419 -13.786 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.150 -13.888 -1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.066 -14.351 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.979 -15.192 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.457 -15.873 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.800 -15.776 -3.237 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.537 -17.699 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.815 -16.369 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.859 -17.771 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.301 -19.491 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.570 -19.530 -1.345 1.00 0.00 H new ATOM 463 N ARG A 73 -7.577 -11.851 -2.464 1.00 0.00 N ATOM 464 CA ARG A 73 -8.868 -11.236 -2.171 1.00 0.00 C ATOM 465 C ARG A 73 -9.741 -12.189 -1.358 1.00 0.00 C ATOM 466 O ARG A 73 -10.431 -13.046 -1.917 1.00 0.00 O ATOM 467 CB ARG A 73 -9.584 -10.846 -3.467 1.00 0.00 C ATOM 468 CG ARG A 73 -10.760 -9.906 -3.252 1.00 0.00 C ATOM 469 CD ARG A 73 -11.684 -9.885 -4.459 1.00 0.00 C ATOM 470 NE ARG A 73 -12.503 -11.095 -4.548 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.119 -11.501 -5.664 1.00 0.00 C ATOM 472 NH1 ARG A 73 -13.016 -10.796 -6.789 1.00 0.00 N ATOM 473 NH2 ARG A 73 -13.840 -12.617 -5.655 1.00 0.00 N ATOM 0 H ARG A 73 -7.592 -12.509 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.691 -10.335 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.869 -10.372 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.938 -11.750 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.319 -10.217 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.391 -8.899 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.334 -9.012 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.090 -9.782 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.611 -11.663 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.464 -9.939 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.489 -11.113 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.923 -13.163 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.310 -12.927 -6.505 1.00 0.00 H new ATOM 487 N LYS A 74 -9.707 -12.036 -0.036 1.00 0.00 N ATOM 488 CA LYS A 74 -10.496 -12.884 0.853 1.00 0.00 C ATOM 489 C LYS A 74 -11.863 -12.261 1.131 1.00 0.00 C ATOM 490 O LYS A 74 -11.977 -11.292 1.887 1.00 0.00 O ATOM 491 CB LYS A 74 -9.749 -13.141 2.167 1.00 0.00 C ATOM 492 CG LYS A 74 -9.118 -11.897 2.775 1.00 0.00 C ATOM 493 CD LYS A 74 -8.763 -12.108 4.238 1.00 0.00 C ATOM 494 CE LYS A 74 -10.008 -12.203 5.108 1.00 0.00 C ATOM 495 NZ LYS A 74 -9.994 -11.201 6.209 1.00 0.00 N ATOM 0 H LYS A 74 -9.142 -11.334 0.442 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.651 -13.840 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.442 -13.573 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.969 -13.882 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.220 -11.634 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.807 -11.057 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.175 -13.020 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.138 -11.284 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.894 -12.052 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.080 -13.205 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.966 -11.033 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.419 -11.560 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.587 -10.309 5.862 1.00 0.00 H new ATOM 509 N GLU A 75 -12.898 -12.824 0.509 1.00 0.00 N ATOM 510 CA GLU A 75 -14.263 -12.337 0.675 1.00 0.00 C ATOM 511 C GLU A 75 -14.995 -13.127 1.759 1.00 0.00 C ATOM 512 O GLU A 75 -15.127 -14.348 1.662 1.00 0.00 O ATOM 513 CB GLU A 75 -15.019 -12.446 -0.651 1.00 0.00 C ATOM 514 CG GLU A 75 -16.214 -11.513 -0.755 1.00 0.00 C ATOM 515 CD GLU A 75 -17.336 -12.100 -1.590 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.104 -12.380 -2.785 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.444 -12.282 -1.050 1.00 0.00 O ATOM 0 H GLU A 75 -12.814 -13.624 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.221 -11.292 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.331 -12.233 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.360 -13.473 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.587 -11.292 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.896 -10.567 -1.193 1.00 0.00 H new ATOM 524 N THR A 76 -15.467 -12.425 2.791 1.00 0.00 N ATOM 525 CA THR A 76 -16.184 -13.071 3.889 1.00 0.00 C ATOM 526 C THR A 76 -17.511 -12.369 4.172 1.00 0.00 C ATOM 527 O THR A 76 -17.604 -11.142 4.122 1.00 0.00 O ATOM 528 CB THR A 76 -15.316 -13.098 5.155 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.013 -13.707 6.229 1.00 0.00 O ATOM 530 CG2 THR A 76 -14.869 -11.727 5.618 1.00 0.00 C ATOM 0 H THR A 76 -15.366 -11.415 2.888 1.00 0.00 H new ATOM 0 HA THR A 76 -16.401 -14.096 3.589 1.00 0.00 H new ATOM 0 HB THR A 76 -14.431 -13.671 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.443 -13.716 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.260 -11.827 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.281 -11.252 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.743 -11.114 5.838 1.00 0.00 H new ATOM 666 N PHE A 86 -22.240 -8.098 3.623 1.00 0.00 N ATOM 667 CA PHE A 86 -20.998 -8.640 3.075 1.00 0.00 C ATOM 668 C PHE A 86 -19.790 -7.866 3.595 1.00 0.00 C ATOM 669 O PHE A 86 -19.871 -6.656 3.819 1.00 0.00 O ATOM 670 CB PHE A 86 -21.018 -8.592 1.543 1.00 0.00 C ATOM 671 CG PHE A 86 -21.649 -9.800 0.909 1.00 0.00 C ATOM 672 CD1 PHE A 86 -23.027 -9.928 0.854 1.00 0.00 C ATOM 673 CD2 PHE A 86 -20.864 -10.803 0.364 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.611 -11.034 0.267 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.442 -11.912 -0.225 1.00 0.00 C ATOM 676 CZ PHE A 86 -22.817 -12.027 -0.274 1.00 0.00 C ATOM 0 HA PHE A 86 -20.917 -9.678 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.558 -7.701 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.996 -8.493 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.652 -9.154 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.788 -10.717 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -24.687 -11.122 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.819 -12.687 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.271 -12.892 -0.735 1.00 0.00 H new ATOM 686 N ASN A 87 -18.671 -8.566 3.780 1.00 0.00 N ATOM 687 CA ASN A 87 -17.449 -7.940 4.271 1.00 0.00 C ATOM 688 C ASN A 87 -16.236 -8.424 3.478 1.00 0.00 C ATOM 689 O ASN A 87 -15.506 -9.318 3.915 1.00 0.00 O ATOM 690 CB ASN A 87 -17.255 -8.242 5.761 1.00 0.00 C ATOM 691 CG ASN A 87 -18.439 -7.807 6.605 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.483 -8.461 6.611 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.285 -6.700 7.325 1.00 0.00 N ATOM 0 H ASN A 87 -18.588 -9.566 3.597 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.543 -6.862 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.093 -9.312 5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.356 -7.738 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.048 -6.363 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -17.403 -6.188 7.291 1.00 0.00 H new ATOM 700 N VAL A 88 -16.023 -7.818 2.316 1.00 0.00 N ATOM 701 CA VAL A 88 -14.894 -8.176 1.460 1.00 0.00 C ATOM 702 C VAL A 88 -13.703 -7.263 1.726 1.00 0.00 C ATOM 703 O VAL A 88 -13.856 -6.049 1.859 1.00 0.00 O ATOM 704 CB VAL A 88 -15.269 -8.114 -0.038 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.846 -6.751 -0.404 1.00 0.00 C ATOM 706 CG2 VAL A 88 -14.062 -8.443 -0.910 1.00 0.00 C ATOM 0 H VAL A 88 -16.616 -7.076 1.943 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.622 -9.203 1.703 1.00 0.00 H new ATOM 0 HB VAL A 88 -16.039 -8.863 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.101 -6.736 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.743 -6.565 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.108 -5.976 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.348 -8.394 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.266 -7.724 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.708 -9.447 -0.677 1.00 0.00 H new ATOM 716 N LEU A 89 -12.517 -7.859 1.806 1.00 0.00 N ATOM 717 CA LEU A 89 -11.292 -7.103 2.059 1.00 0.00 C ATOM 718 C LEU A 89 -10.162 -7.549 1.133 1.00 0.00 C ATOM 719 O LEU A 89 -10.315 -8.494 0.353 1.00 0.00 O ATOM 720 CB LEU A 89 -10.851 -7.257 3.520 1.00 0.00 C ATOM 721 CG LEU A 89 -11.979 -7.296 4.555 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.442 -7.732 5.909 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.653 -5.934 4.659 1.00 0.00 C ATOM 0 H LEU A 89 -12.377 -8.864 1.699 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.510 -6.054 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.269 -8.174 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.184 -6.431 3.768 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.723 -8.023 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.256 -7.754 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.005 -8.727 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.680 -7.028 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.452 -5.979 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.919 -5.187 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.070 -5.660 3.690 1.00 0.00 H new ATOM 735 N TYR A 90 -9.025 -6.862 1.232 1.00 0.00 N ATOM 736 CA TYR A 90 -7.858 -7.172 0.418 1.00 0.00 C ATOM 737 C TYR A 90 -6.656 -7.507 1.298 1.00 0.00 C ATOM 738 O TYR A 90 -6.127 -6.639 1.993 1.00 0.00 O ATOM 739 CB TYR A 90 -7.521 -5.988 -0.491 1.00 0.00 C ATOM 740 CG TYR A 90 -8.051 -6.145 -1.896 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.968 -7.364 -2.553 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.635 -5.078 -2.565 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.450 -7.518 -3.834 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.121 -5.223 -3.849 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.027 -6.446 -4.480 1.00 0.00 C ATOM 746 OH TYR A 90 -9.509 -6.598 -5.760 1.00 0.00 O ATOM 0 H TYR A 90 -8.890 -6.081 1.874 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.092 -8.042 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.930 -5.076 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.439 -5.865 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.517 -8.207 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.710 -4.119 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.376 -8.475 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.572 -4.383 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.885 -5.748 -6.071 1.00 0.00 H new ATOM 756 N LYS A 91 -6.226 -8.770 1.259 1.00 0.00 N ATOM 757 CA LYS A 91 -5.080 -9.214 2.049 1.00 0.00 C ATOM 758 C LYS A 91 -3.789 -8.605 1.506 1.00 0.00 C ATOM 759 O LYS A 91 -3.170 -9.156 0.594 1.00 0.00 O ATOM 760 CB LYS A 91 -4.982 -10.746 2.042 1.00 0.00 C ATOM 761 CG LYS A 91 -5.636 -11.409 3.245 1.00 0.00 C ATOM 762 CD LYS A 91 -4.650 -12.284 4.006 1.00 0.00 C ATOM 763 CE LYS A 91 -4.530 -13.669 3.385 1.00 0.00 C ATOM 764 NZ LYS A 91 -3.170 -14.250 3.572 1.00 0.00 N ATOM 0 H LYS A 91 -6.654 -9.500 0.690 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.222 -8.877 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.447 -11.126 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.931 -11.033 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.034 -10.644 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.480 -12.014 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.671 -11.804 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.971 -12.377 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.272 -14.332 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.755 -13.609 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.132 -15.193 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.464 -13.632 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.964 -14.332 4.588 1.00 0.00 H new ATOM 778 N VAL A 92 -3.393 -7.460 2.063 1.00 0.00 N ATOM 779 CA VAL A 92 -2.181 -6.770 1.623 1.00 0.00 C ATOM 780 C VAL A 92 -1.080 -6.846 2.676 1.00 0.00 C ATOM 781 O VAL A 92 -1.363 -6.938 3.867 1.00 0.00 O ATOM 782 CB VAL A 92 -2.457 -5.284 1.297 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.613 -5.155 0.316 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.733 -4.488 2.569 1.00 0.00 C ATOM 0 H VAL A 92 -3.893 -6.992 2.819 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.850 -7.280 0.718 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.565 -4.869 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.791 -4.102 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.366 -5.678 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.511 -5.593 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.924 -3.446 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.605 -4.902 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.868 -4.546 3.229 1.00 0.00 H new ATOM 794 N LEU A 93 0.171 -6.787 2.224 1.00 0.00 N ATOM 795 CA LEU A 93 1.324 -6.829 3.123 1.00 0.00 C ATOM 796 C LEU A 93 1.955 -5.445 3.227 1.00 0.00 C ATOM 797 O LEU A 93 2.175 -4.789 2.209 1.00 0.00 O ATOM 798 CB LEU A 93 2.361 -7.837 2.614 1.00 0.00 C ATOM 799 CG LEU A 93 2.423 -9.159 3.382 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.147 -10.219 2.565 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.107 -8.966 4.729 1.00 0.00 C ATOM 0 H LEU A 93 0.413 -6.710 1.236 1.00 0.00 H new ATOM 0 HA LEU A 93 0.985 -7.143 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.148 -8.054 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.345 -7.369 2.649 1.00 0.00 H new ATOM 0 HG LEU A 93 1.403 -9.498 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.181 -11.152 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.616 -10.380 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.163 -9.885 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.141 -9.918 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.122 -8.601 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.548 -8.241 5.320 1.00 0.00 H new ATOM 813 N PHE A 94 2.246 -4.997 4.449 1.00 0.00 N ATOM 814 CA PHE A 94 2.852 -3.678 4.641 1.00 0.00 C ATOM 815 C PHE A 94 4.380 -3.771 4.611 1.00 0.00 C ATOM 816 O PHE A 94 4.943 -4.859 4.705 1.00 0.00 O ATOM 817 CB PHE A 94 2.385 -3.062 5.962 1.00 0.00 C ATOM 818 CG PHE A 94 1.065 -2.339 5.874 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.055 -2.947 5.319 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.946 -1.043 6.354 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.260 -2.277 5.249 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.258 -0.371 6.284 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.362 -0.988 5.730 1.00 0.00 C ATOM 0 H PHE A 94 2.075 -5.518 5.309 1.00 0.00 H new ATOM 0 HA PHE A 94 2.531 -3.035 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.305 -3.851 6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.146 -2.365 6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.018 -3.955 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.806 -0.554 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.123 -2.762 4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.336 0.637 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.304 -0.462 5.673 1.00 0.00 H new ATOM 833 N PHE A 95 5.044 -2.621 4.472 1.00 0.00 N ATOM 834 CA PHE A 95 6.510 -2.573 4.423 1.00 0.00 C ATOM 835 C PHE A 95 7.036 -1.305 5.101 1.00 0.00 C ATOM 836 O PHE A 95 6.304 -0.322 5.236 1.00 0.00 O ATOM 837 CB PHE A 95 7.002 -2.610 2.969 1.00 0.00 C ATOM 838 CG PHE A 95 6.422 -3.730 2.150 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.195 -3.582 1.523 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.106 -4.925 2.000 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.660 -4.606 0.769 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.575 -5.953 1.246 1.00 0.00 C ATOM 843 CZ PHE A 95 5.350 -5.792 0.629 1.00 0.00 C ATOM 0 H PHE A 95 4.591 -1.710 4.391 1.00 0.00 H new ATOM 0 HA PHE A 95 6.889 -3.445 4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.758 -1.661 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.088 -2.698 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.651 -2.654 1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.066 -5.054 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.701 -4.479 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.117 -6.881 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.933 -6.594 0.038 1.00 0.00 H new ATOM 853 N PRO A 96 8.315 -1.301 5.538 1.00 0.00 N ATOM 854 CA PRO A 96 9.238 -2.435 5.407 1.00 0.00 C ATOM 855 C PRO A 96 9.105 -3.470 6.531 1.00 0.00 C ATOM 856 O PRO A 96 9.410 -4.644 6.331 1.00 0.00 O ATOM 857 CB PRO A 96 10.626 -1.781 5.484 1.00 0.00 C ATOM 858 CG PRO A 96 10.400 -0.323 5.758 1.00 0.00 C ATOM 859 CD PRO A 96 8.970 -0.173 6.198 1.00 0.00 C ATOM 0 HA PRO A 96 9.040 -2.986 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.225 -2.235 6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.172 -1.920 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.080 0.034 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.593 0.271 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.872 -0.225 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.547 0.782 5.885 1.00 0.00 H new ATOM 867 N ASP A 97 8.673 -3.018 7.710 1.00 0.00 N ATOM 868 CA ASP A 97 8.517 -3.886 8.886 1.00 0.00 C ATOM 869 C ASP A 97 7.688 -5.147 8.597 1.00 0.00 C ATOM 870 O ASP A 97 7.776 -6.123 9.344 1.00 0.00 O ATOM 871 CB ASP A 97 7.880 -3.103 10.037 1.00 0.00 C ATOM 872 CG ASP A 97 8.914 -2.474 10.956 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.826 -1.787 10.447 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.810 -2.669 12.185 1.00 0.00 O ATOM 0 H ASP A 97 8.421 -2.044 7.879 1.00 0.00 H new ATOM 0 HA ASP A 97 9.517 -4.217 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.238 -2.322 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.242 -3.770 10.616 1.00 0.00 H new ATOM 879 N PHE A 98 6.885 -5.125 7.525 1.00 0.00 N ATOM 880 CA PHE A 98 6.047 -6.268 7.153 1.00 0.00 C ATOM 881 C PHE A 98 4.859 -6.401 8.101 1.00 0.00 C ATOM 882 O PHE A 98 4.892 -7.184 9.053 1.00 0.00 O ATOM 883 CB PHE A 98 6.861 -7.571 7.140 1.00 0.00 C ATOM 884 CG PHE A 98 8.185 -7.463 6.431 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.241 -7.189 5.073 1.00 0.00 C ATOM 886 CD2 PHE A 98 9.373 -7.640 7.124 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.455 -7.092 4.422 1.00 0.00 C ATOM 888 CE2 PHE A 98 10.590 -7.544 6.479 1.00 0.00 C ATOM 889 CZ PHE A 98 10.632 -7.269 5.125 1.00 0.00 C ATOM 0 H PHE A 98 6.799 -4.324 6.899 1.00 0.00 H new ATOM 0 HA PHE A 98 5.672 -6.088 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.037 -7.887 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.269 -8.352 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.325 -7.050 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.346 -7.856 8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.485 -6.878 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 98 11.507 -7.684 7.031 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.582 -7.193 4.617 1.00 0.00 H new ATOM 899 N ASN A 99 3.813 -5.617 7.840 1.00 0.00 N ATOM 900 CA ASN A 99 2.613 -5.632 8.673 1.00 0.00 C ATOM 901 C ASN A 99 1.347 -5.678 7.827 1.00 0.00 C ATOM 902 O ASN A 99 0.601 -4.701 7.748 1.00 0.00 O ATOM 903 CB ASN A 99 2.572 -4.400 9.569 1.00 0.00 C ATOM 904 CG ASN A 99 3.883 -4.154 10.295 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.503 -3.103 10.139 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.312 -5.126 11.095 1.00 0.00 N ATOM 0 H ASN A 99 3.773 -4.964 7.058 1.00 0.00 H new ATOM 0 HA ASN A 99 2.655 -6.532 9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.327 -3.526 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.773 -4.516 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.187 -5.015 11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.766 -5.982 11.195 1.00 0.00 H new ATOM 913 N PHE A 100 1.113 -6.818 7.193 1.00 0.00 N ATOM 914 CA PHE A 100 -0.063 -7.007 6.346 1.00 0.00 C ATOM 915 C PHE A 100 -1.349 -6.561 7.051 1.00 0.00 C ATOM 916 O PHE A 100 -1.420 -6.524 8.280 1.00 0.00 O ATOM 917 CB PHE A 100 -0.190 -8.469 5.911 1.00 0.00 C ATOM 918 CG PHE A 100 -0.022 -9.448 7.033 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.241 -9.776 7.492 1.00 0.00 C ATOM 920 CD2 PHE A 100 -1.123 -10.031 7.629 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.405 -10.675 8.524 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.969 -10.933 8.662 1.00 0.00 C ATOM 923 CZ PHE A 100 0.298 -11.256 9.110 1.00 0.00 C ATOM 0 H PHE A 100 1.724 -7.633 7.248 1.00 0.00 H new ATOM 0 HA PHE A 100 0.074 -6.382 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.168 -8.619 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.556 -8.677 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.109 -9.322 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.114 -9.778 7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.396 -10.924 8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.836 -11.385 9.119 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.422 -11.962 9.918 1.00 0.00 H new ATOM 933 N ALA A 101 -2.356 -6.219 6.250 1.00 0.00 N ATOM 934 CA ALA A 101 -3.641 -5.762 6.770 1.00 0.00 C ATOM 935 C ALA A 101 -4.791 -6.202 5.867 1.00 0.00 C ATOM 936 O ALA A 101 -4.621 -6.347 4.654 1.00 0.00 O ATOM 937 CB ALA A 101 -3.635 -4.245 6.907 1.00 0.00 C ATOM 0 H ALA A 101 -2.305 -6.251 5.232 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.791 -6.213 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.597 -3.911 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.843 -3.945 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.461 -3.792 5.931 1.00 0.00 H new ATOM 943 N TRP A 102 -5.964 -6.405 6.467 1.00 0.00 N ATOM 944 CA TRP A 102 -7.150 -6.819 5.721 1.00 0.00 C ATOM 945 C TRP A 102 -8.229 -5.738 5.797 1.00 0.00 C ATOM 946 O TRP A 102 -8.883 -5.575 6.828 1.00 0.00 O ATOM 947 CB TRP A 102 -7.696 -8.147 6.266 1.00 0.00 C ATOM 948 CG TRP A 102 -6.631 -9.163 6.572 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.441 -9.326 5.920 1.00 0.00 C ATOM 950 CD2 TRP A 102 -6.660 -10.155 7.606 1.00 0.00 C ATOM 951 NE1 TRP A 102 -4.730 -10.355 6.485 1.00 0.00 N ATOM 952 CE2 TRP A 102 -5.458 -10.883 7.520 1.00 0.00 C ATOM 953 CE3 TRP A 102 -7.585 -10.501 8.596 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.158 -11.932 8.384 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.286 -11.543 9.453 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.081 -12.248 9.343 1.00 0.00 C ATOM 0 H TRP A 102 -6.117 -6.289 7.469 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.866 -6.962 4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.267 -7.949 7.173 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.389 -8.569 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.108 -8.731 5.082 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -3.810 -10.675 6.184 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.517 -9.963 8.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.229 -12.477 8.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.994 -11.818 10.221 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -5.876 -13.057 10.029 1.00 0.00 H new ATOM 967 N VAL A 103 -8.403 -5.002 4.699 1.00 0.00 N ATOM 968 CA VAL A 103 -9.397 -3.929 4.638 1.00 0.00 C ATOM 969 C VAL A 103 -10.146 -3.947 3.308 1.00 0.00 C ATOM 970 O VAL A 103 -9.676 -4.534 2.333 1.00 0.00 O ATOM 971 CB VAL A 103 -8.750 -2.541 4.832 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.136 -2.421 6.220 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.706 -2.276 3.756 1.00 0.00 C ATOM 0 H VAL A 103 -7.869 -5.129 3.839 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.100 -4.108 5.452 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.532 -1.787 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.686 -1.435 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.912 -2.556 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.370 -3.186 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.263 -1.292 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.927 -3.037 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.179 -2.309 2.774 1.00 0.00 H new ATOM 983 N LYS A 104 -11.311 -3.300 3.271 1.00 0.00 N ATOM 984 CA LYS A 104 -12.117 -3.247 2.053 1.00 0.00 C ATOM 985 C LYS A 104 -11.368 -2.543 0.920 1.00 0.00 C ATOM 986 O LYS A 104 -10.430 -1.779 1.160 1.00 0.00 O ATOM 987 CB LYS A 104 -13.444 -2.529 2.316 1.00 0.00 C ATOM 988 CG LYS A 104 -14.529 -3.427 2.883 1.00 0.00 C ATOM 989 CD LYS A 104 -15.393 -2.683 3.886 1.00 0.00 C ATOM 990 CE LYS A 104 -16.160 -3.642 4.782 1.00 0.00 C ATOM 991 NZ LYS A 104 -15.615 -3.662 6.169 1.00 0.00 N ATOM 0 H LYS A 104 -11.716 -2.807 4.067 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.318 -4.274 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.269 -1.706 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.800 -2.091 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -15.152 -3.804 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.073 -4.293 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -14.765 -2.035 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.095 -2.039 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.210 -3.352 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.117 -4.646 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.165 -4.328 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.620 -3.963 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.680 -2.709 6.581 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.800 -2.803 -0.313 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.182 -2.197 -1.499 1.00 0.00 C ATOM 1007 C ARG A 105 -11.326 -0.674 -1.487 1.00 0.00 C ATOM 1008 O ARG A 105 -10.531 0.031 -2.110 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.798 -2.759 -2.787 1.00 0.00 C ATOM 1010 CG ARG A 105 -12.098 -4.251 -2.737 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.576 -4.512 -2.485 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.348 -4.553 -3.727 1.00 0.00 N ATOM 1013 CZ ARG A 105 -14.435 -5.626 -4.518 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -13.794 -6.751 -4.208 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -15.168 -5.571 -5.628 1.00 0.00 N ATOM 0 H ARG A 105 -12.577 -3.430 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.122 -2.448 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.722 -2.221 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.118 -2.564 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.800 -4.715 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.505 -4.717 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.691 -5.458 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.976 -3.733 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.851 -3.711 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.230 -6.799 -3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.867 -7.565 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.661 -4.712 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.237 -6.388 -6.235 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.338 -0.168 -0.776 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.573 1.274 -0.684 1.00 0.00 C ATOM 1031 C ASN A 106 -11.389 1.981 -0.025 1.00 0.00 C ATOM 1032 O ASN A 106 -11.006 3.078 -0.435 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.861 1.572 0.096 1.00 0.00 C ATOM 1034 CG ASN A 106 -13.805 1.113 1.548 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -13.046 0.211 1.900 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -14.613 1.735 2.399 1.00 0.00 N ATOM 0 H ASN A 106 -13.007 -0.736 -0.256 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.684 1.654 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.055 2.644 0.068 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.700 1.084 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.619 1.469 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.228 2.478 2.068 1.00 0.00 H new ATOM 1043 N SER A 107 -10.806 1.341 0.991 1.00 0.00 N ATOM 1044 CA SER A 107 -9.659 1.904 1.696 1.00 0.00 C ATOM 1045 C SER A 107 -8.356 1.656 0.924 1.00 0.00 C ATOM 1046 O SER A 107 -7.282 2.057 1.375 1.00 0.00 O ATOM 1047 CB SER A 107 -9.557 1.316 3.105 1.00 0.00 C ATOM 1048 OG SER A 107 -9.230 2.319 4.052 1.00 0.00 O ATOM 0 H SER A 107 -11.111 0.433 1.342 1.00 0.00 H new ATOM 0 HA SER A 107 -9.809 2.981 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.503 0.849 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.798 0.533 3.122 1.00 0.00 H new ATOM 0 HG SER A 107 -8.364 2.112 4.462 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.457 1.001 -0.237 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.295 0.711 -1.064 1.00 0.00 C ATOM 1056 C VAL A 108 -7.256 1.628 -2.291 1.00 0.00 C ATOM 1057 O VAL A 108 -8.297 2.065 -2.783 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.296 -0.762 -1.523 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.153 -1.038 -2.494 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.223 -1.698 -0.323 1.00 0.00 C ATOM 0 H VAL A 108 -9.339 0.663 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.408 0.891 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.232 -0.949 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.180 -2.084 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.259 -0.401 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.202 -0.827 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.225 -2.732 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.307 -1.503 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.085 -1.529 0.323 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.047 1.911 -2.772 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.854 2.771 -3.936 1.00 0.00 C ATOM 1072 C LYS A 109 -4.746 2.218 -4.835 1.00 0.00 C ATOM 1073 O LYS A 109 -3.656 1.899 -4.358 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.508 4.194 -3.482 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.246 5.162 -4.625 1.00 0.00 C ATOM 1076 CD LYS A 109 -5.883 6.519 -4.366 1.00 0.00 C ATOM 1077 CE LYS A 109 -6.250 7.222 -5.664 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.681 7.019 -6.030 1.00 0.00 N ATOM 0 H LYS A 109 -5.181 1.554 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.781 2.796 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.326 4.579 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.626 4.156 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.171 5.284 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.639 4.746 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.777 6.391 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.194 7.142 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.050 8.289 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.615 6.851 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.885 7.516 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -7.868 6.003 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.289 7.397 -5.276 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.007 2.097 -6.154 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.024 1.581 -7.118 1.00 0.00 C ATOM 1094 C PRO A 110 -2.715 2.368 -7.086 1.00 0.00 C ATOM 1095 O PRO A 110 -2.689 3.565 -7.383 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.722 1.743 -8.479 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.853 2.684 -8.232 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.274 2.453 -6.812 1.00 0.00 C ATOM 0 HA PRO A 110 -3.743 0.551 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.037 2.140 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.082 0.785 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.542 3.718 -8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.677 2.494 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.722 3.344 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.010 1.653 -6.733 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.630 1.684 -6.716 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.314 2.312 -6.636 1.00 0.00 C ATOM 1108 C LEU A 111 0.498 2.034 -7.900 1.00 0.00 C ATOM 1109 O LEU A 111 0.395 0.957 -8.489 1.00 0.00 O ATOM 1110 CB LEU A 111 0.440 1.809 -5.400 1.00 0.00 C ATOM 1111 CG LEU A 111 1.828 2.421 -5.182 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.725 3.919 -4.927 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.538 1.724 -4.031 1.00 0.00 C ATOM 0 H LEU A 111 -1.639 0.695 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.454 3.389 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.169 2.008 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.547 0.727 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 111 2.415 2.275 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.722 4.332 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.259 4.403 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.120 4.096 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.523 2.169 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.952 1.839 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.649 0.664 -4.260 1.00 0.00 H new ATOM 1125 N LEU A 112 1.301 3.015 -8.309 1.00 0.00 N ATOM 1126 CA LEU A 112 2.125 2.886 -9.508 1.00 0.00 C ATOM 1127 C LEU A 112 3.568 3.309 -9.236 1.00 0.00 C ATOM 1128 O LEU A 112 3.863 3.921 -8.208 1.00 0.00 O ATOM 1129 CB LEU A 112 1.541 3.726 -10.651 1.00 0.00 C ATOM 1130 CG LEU A 112 1.099 5.142 -10.262 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.144 6.068 -11.468 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.298 5.117 -9.656 1.00 0.00 C ATOM 0 H LEU A 112 1.398 3.908 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 112 2.126 1.836 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.286 3.800 -11.443 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.684 3.197 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 112 1.792 5.525 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.827 7.068 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.162 6.110 -11.856 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.476 5.690 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.596 6.130 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.003 4.713 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.297 4.489 -8.765 1.00 0.00 H new ATOM 1144 N ASP A 113 4.459 2.984 -10.171 1.00 0.00 N ATOM 1145 CA ASP A 113 5.874 3.331 -10.043 1.00 0.00 C ATOM 1146 C ASP A 113 6.069 4.842 -10.101 1.00 0.00 C ATOM 1147 O ASP A 113 6.900 5.391 -9.381 1.00 0.00 O ATOM 1148 CB ASP A 113 6.700 2.657 -11.140 1.00 0.00 C ATOM 1149 CG ASP A 113 6.948 1.191 -10.851 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.711 0.894 -9.905 1.00 0.00 O ATOM 1151 OD2 ASP A 113 6.378 0.340 -11.564 1.00 0.00 O ATOM 0 H ASP A 113 4.226 2.480 -11.027 1.00 0.00 H new ATOM 0 HA ASP A 113 6.219 2.971 -9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.182 2.755 -12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.655 3.172 -11.241 1.00 0.00 H new ATOM 1156 N SER A 114 5.290 5.511 -10.955 1.00 0.00 N ATOM 1157 CA SER A 114 5.374 6.963 -11.092 1.00 0.00 C ATOM 1158 C SER A 114 5.020 7.654 -9.775 1.00 0.00 C ATOM 1159 O SER A 114 5.539 8.729 -9.472 1.00 0.00 O ATOM 1160 CB SER A 114 4.445 7.457 -12.204 1.00 0.00 C ATOM 1161 OG SER A 114 5.103 8.395 -13.036 1.00 0.00 O ATOM 0 H SER A 114 4.597 5.070 -11.559 1.00 0.00 H new ATOM 0 HA SER A 114 6.402 7.214 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.105 6.611 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.558 7.914 -11.765 1.00 0.00 H new ATOM 0 HG SER A 114 4.490 8.695 -13.740 1.00 0.00 H new ATOM 1167 N GLU A 115 4.134 7.027 -8.994 1.00 0.00 N ATOM 1168 CA GLU A 115 3.721 7.590 -7.710 1.00 0.00 C ATOM 1169 C GLU A 115 4.735 7.267 -6.614 1.00 0.00 C ATOM 1170 O GLU A 115 5.038 8.115 -5.779 1.00 0.00 O ATOM 1171 CB GLU A 115 2.336 7.074 -7.314 1.00 0.00 C ATOM 1172 CG GLU A 115 1.192 7.824 -7.986 1.00 0.00 C ATOM 1173 CD GLU A 115 -0.155 7.585 -7.321 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.183 7.313 -6.101 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -1.183 7.675 -8.023 1.00 0.00 O ATOM 0 H GLU A 115 3.694 6.137 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 115 3.673 8.673 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.265 6.016 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.224 7.151 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.411 8.892 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.132 7.521 -9.031 1.00 0.00 H new ATOM 1182 N ILE A 116 5.268 6.046 -6.623 1.00 0.00 N ATOM 1183 CA ILE A 116 6.259 5.644 -5.627 1.00 0.00 C ATOM 1184 C ILE A 116 7.582 6.364 -5.879 1.00 0.00 C ATOM 1185 O ILE A 116 8.213 6.868 -4.948 1.00 0.00 O ATOM 1186 CB ILE A 116 6.501 4.118 -5.628 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.173 3.362 -5.513 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.432 3.727 -4.488 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.185 2.008 -6.191 1.00 0.00 C ATOM 0 H ILE A 116 5.032 5.323 -7.303 1.00 0.00 H new ATOM 0 HA ILE A 116 5.862 5.922 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 116 6.973 3.846 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.931 3.229 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.380 3.970 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.592 2.649 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.388 4.238 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.983 4.014 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.213 1.531 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.396 2.135 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.955 1.382 -5.740 1.00 0.00 H new ATOM 1201 N ALA A 117 7.984 6.414 -7.150 1.00 0.00 N ATOM 1202 CA ALA A 117 9.218 7.081 -7.558 1.00 0.00 C ATOM 1203 C ALA A 117 9.266 8.505 -7.022 1.00 0.00 C ATOM 1204 O ALA A 117 10.176 8.872 -6.277 1.00 0.00 O ATOM 1205 CB ALA A 117 9.306 7.109 -9.075 1.00 0.00 C ATOM 0 H ALA A 117 7.465 5.995 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 117 10.062 6.526 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.227 7.607 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.303 6.089 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.451 7.651 -9.479 1.00 0.00 H new ATOM 1211 N LYS A 118 8.273 9.295 -7.418 1.00 0.00 N ATOM 1212 CA LYS A 118 8.168 10.684 -7.000 1.00 0.00 C ATOM 1213 C LYS A 118 7.967 10.779 -5.490 1.00 0.00 C ATOM 1214 O LYS A 118 8.557 11.637 -4.834 1.00 0.00 O ATOM 1215 CB LYS A 118 7.014 11.356 -7.755 1.00 0.00 C ATOM 1216 CG LYS A 118 5.868 11.820 -6.878 1.00 0.00 C ATOM 1217 CD LYS A 118 4.859 10.700 -6.683 1.00 0.00 C ATOM 1218 CE LYS A 118 3.462 11.105 -7.128 1.00 0.00 C ATOM 1219 NZ LYS A 118 3.052 12.425 -6.568 1.00 0.00 N ATOM 0 H LYS A 118 7.521 8.989 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 118 9.096 11.204 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.406 12.214 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.626 10.657 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.251 12.145 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.380 12.682 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.178 9.823 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.835 10.413 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.428 11.148 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.748 10.343 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.024 12.432 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.540 12.585 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.306 13.180 -7.237 1.00 0.00 H new ATOM 1233 N PHE A 119 7.125 9.894 -4.949 1.00 0.00 N ATOM 1234 CA PHE A 119 6.846 9.883 -3.510 1.00 0.00 C ATOM 1235 C PHE A 119 8.142 9.862 -2.711 1.00 0.00 C ATOM 1236 O PHE A 119 8.357 10.709 -1.844 1.00 0.00 O ATOM 1237 CB PHE A 119 5.989 8.671 -3.122 1.00 0.00 C ATOM 1238 CG PHE A 119 5.899 8.456 -1.634 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.931 7.832 -0.946 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.792 8.887 -0.924 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.857 7.644 0.419 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.713 8.697 0.442 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.748 8.075 1.112 1.00 0.00 C ATOM 0 H PHE A 119 6.628 9.180 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 119 6.294 10.793 -3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.984 8.801 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.405 7.777 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.802 7.490 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.982 9.377 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.668 7.160 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.843 9.035 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.688 7.927 2.180 1.00 0.00 H new ATOM 1253 N LEU A 120 8.997 8.885 -3.004 1.00 0.00 N ATOM 1254 CA LEU A 120 10.272 8.752 -2.307 1.00 0.00 C ATOM 1255 C LEU A 120 11.113 10.013 -2.466 1.00 0.00 C ATOM 1256 O LEU A 120 11.886 10.369 -1.573 1.00 0.00 O ATOM 1257 CB LEU A 120 11.042 7.548 -2.830 1.00 0.00 C ATOM 1258 CG LEU A 120 10.371 6.199 -2.579 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.555 5.279 -3.775 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.930 5.558 -1.319 1.00 0.00 C ATOM 0 H LEU A 120 8.830 8.176 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 120 10.061 8.606 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.192 7.669 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.030 7.538 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 120 9.303 6.364 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.070 4.323 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.108 5.736 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.619 5.117 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.443 4.597 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.003 5.405 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.746 6.211 -0.466 1.00 0.00 H new ATOM 1272 N GLY A 121 10.947 10.696 -3.603 1.00 0.00 N ATOM 1273 CA GLY A 121 11.684 11.919 -3.849 1.00 0.00 C ATOM 1274 C GLY A 121 10.908 13.153 -3.420 1.00 0.00 C ATOM 1275 O GLY A 121 11.185 14.257 -3.895 1.00 0.00 O ATOM 0 H GLY A 121 10.314 10.419 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.632 11.884 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.920 11.991 -4.911 1.00 0.00 H new ATOM 1369 N SER A 127 9.132 11.689 5.048 1.00 0.00 N ATOM 1370 CA SER A 127 9.540 11.184 6.354 1.00 0.00 C ATOM 1371 C SER A 127 10.274 9.855 6.207 1.00 0.00 C ATOM 1372 O SER A 127 10.028 9.106 5.263 1.00 0.00 O ATOM 1373 CB SER A 127 8.317 11.010 7.263 1.00 0.00 C ATOM 1374 OG SER A 127 7.305 11.957 6.958 1.00 0.00 O ATOM 0 HA SER A 127 10.216 11.909 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.919 10.001 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.618 11.120 8.305 1.00 0.00 H new ATOM 0 HG SER A 127 7.494 12.369 6.089 1.00 0.00 H new ATOM 1380 N LYS A 128 11.174 9.565 7.148 1.00 0.00 N ATOM 1381 CA LYS A 128 11.942 8.320 7.119 1.00 0.00 C ATOM 1382 C LYS A 128 11.005 7.114 7.112 1.00 0.00 C ATOM 1383 O LYS A 128 11.195 6.177 6.334 1.00 0.00 O ATOM 1384 CB LYS A 128 12.894 8.239 8.318 1.00 0.00 C ATOM 1385 CG LYS A 128 14.328 7.896 7.940 1.00 0.00 C ATOM 1386 CD LYS A 128 14.450 6.462 7.443 1.00 0.00 C ATOM 1387 CE LYS A 128 14.800 6.407 5.962 1.00 0.00 C ATOM 1388 NZ LYS A 128 15.798 5.343 5.661 1.00 0.00 N ATOM 0 H LYS A 128 11.388 10.174 7.938 1.00 0.00 H new ATOM 0 HA LYS A 128 12.535 8.310 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.885 9.194 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.522 7.488 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.674 8.581 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.977 8.038 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.216 5.942 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 128 13.511 5.936 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.894 6.228 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.195 7.373 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.820 5.167 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.739 5.650 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.533 4.468 6.157 1.00 0.00 H new ATOM 1402 N GLU A 129 9.989 7.154 7.974 1.00 0.00 N ATOM 1403 CA GLU A 129 9.011 6.072 8.060 1.00 0.00 C ATOM 1404 C GLU A 129 8.199 5.966 6.770 1.00 0.00 C ATOM 1405 O GLU A 129 7.830 4.868 6.352 1.00 0.00 O ATOM 1406 CB GLU A 129 8.069 6.298 9.247 1.00 0.00 C ATOM 1407 CG GLU A 129 8.675 5.925 10.589 1.00 0.00 C ATOM 1408 CD GLU A 129 7.658 5.956 11.715 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.142 7.051 12.019 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.379 4.883 12.291 1.00 0.00 O ATOM 0 H GLU A 129 9.823 7.924 8.622 1.00 0.00 H new ATOM 0 HA GLU A 129 9.555 5.139 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.774 7.347 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.161 5.715 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.109 4.927 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.489 6.612 10.820 1.00 0.00 H new ATOM 1417 N LEU A 130 7.924 7.113 6.144 1.00 0.00 N ATOM 1418 CA LEU A 130 7.152 7.144 4.901 1.00 0.00 C ATOM 1419 C LEU A 130 7.993 6.668 3.723 1.00 0.00 C ATOM 1420 O LEU A 130 7.575 5.783 2.976 1.00 0.00 O ATOM 1421 CB LEU A 130 6.621 8.560 4.624 1.00 0.00 C ATOM 1422 CG LEU A 130 5.183 8.833 5.082 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.193 7.988 4.293 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.037 8.584 6.577 1.00 0.00 C ATOM 0 H LEU A 130 8.224 8.029 6.477 1.00 0.00 H new ATOM 0 HA LEU A 130 6.306 6.467 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.281 9.277 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.683 8.748 3.552 1.00 0.00 H new ATOM 0 HG LEU A 130 4.959 9.882 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.180 8.199 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.274 8.227 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.414 6.932 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.009 8.784 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.286 7.546 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.711 9.244 7.123 1.00 0.00 H new ATOM 1436 N ILE A 131 9.176 7.257 3.556 1.00 0.00 N ATOM 1437 CA ILE A 131 10.062 6.882 2.460 1.00 0.00 C ATOM 1438 C ILE A 131 10.409 5.401 2.530 1.00 0.00 C ATOM 1439 O ILE A 131 10.279 4.684 1.540 1.00 0.00 O ATOM 1440 CB ILE A 131 11.364 7.706 2.450 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.053 9.202 2.351 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.251 7.269 1.292 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.189 10.090 2.812 1.00 0.00 C ATOM 0 H ILE A 131 9.540 7.992 4.163 1.00 0.00 H new ATOM 0 HA ILE A 131 9.520 7.093 1.538 1.00 0.00 H new ATOM 0 HB ILE A 131 11.896 7.529 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.809 9.446 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.167 9.421 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.168 7.858 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.497 6.213 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.723 7.423 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.897 11.135 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.419 9.874 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.071 9.900 2.200 1.00 0.00 H new ATOM 1455 N GLU A 132 10.841 4.945 3.706 1.00 0.00 N ATOM 1456 CA GLU A 132 11.196 3.541 3.897 1.00 0.00 C ATOM 1457 C GLU A 132 10.050 2.630 3.474 1.00 0.00 C ATOM 1458 O GLU A 132 10.276 1.533 2.965 1.00 0.00 O ATOM 1459 CB GLU A 132 11.560 3.271 5.358 1.00 0.00 C ATOM 1460 CG GLU A 132 13.004 3.605 5.691 1.00 0.00 C ATOM 1461 CD GLU A 132 13.651 2.583 6.607 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.524 1.369 6.335 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.291 2.998 7.594 1.00 0.00 O ATOM 0 H GLU A 132 10.953 5.526 4.537 1.00 0.00 H new ATOM 0 HA GLU A 132 12.062 3.327 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.902 3.854 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.377 2.220 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.578 3.672 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.045 4.586 6.164 1.00 0.00 H new ATOM 1470 N ALA A 133 8.816 3.094 3.679 1.00 0.00 N ATOM 1471 CA ALA A 133 7.639 2.321 3.310 1.00 0.00 C ATOM 1472 C ALA A 133 7.541 2.150 1.805 1.00 0.00 C ATOM 1473 O ALA A 133 7.457 1.027 1.303 1.00 0.00 O ATOM 1474 CB ALA A 133 6.383 2.985 3.843 1.00 0.00 C ATOM 0 H ALA A 133 8.611 4.001 4.098 1.00 0.00 H new ATOM 0 HA ALA A 133 7.736 1.332 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.511 2.395 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.439 3.050 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.295 3.987 3.424 1.00 0.00 H new ATOM 1480 N TYR A 134 7.550 3.266 1.088 1.00 0.00 N ATOM 1481 CA TYR A 134 7.460 3.232 -0.369 1.00 0.00 C ATOM 1482 C TYR A 134 8.720 2.622 -0.979 1.00 0.00 C ATOM 1483 O TYR A 134 8.660 1.989 -2.035 1.00 0.00 O ATOM 1484 CB TYR A 134 7.212 4.632 -0.936 1.00 0.00 C ATOM 1485 CG TYR A 134 5.748 5.028 -0.934 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.055 5.199 0.258 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.063 5.238 -2.126 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.725 5.570 0.264 1.00 0.00 C ATOM 1489 CE2 TYR A 134 3.733 5.612 -2.127 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.068 5.776 -0.931 1.00 0.00 C ATOM 1491 OH TYR A 134 1.744 6.155 -0.928 1.00 0.00 O ATOM 0 H TYR A 134 7.618 4.202 1.487 1.00 0.00 H new ATOM 0 HA TYR A 134 6.612 2.602 -0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.779 5.358 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.592 4.676 -1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.565 5.039 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.579 5.107 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.202 5.698 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.216 5.775 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 134 1.362 6.001 -0.039 1.00 0.00 H new ATOM 1501 N GLU A 135 9.856 2.794 -0.299 1.00 0.00 N ATOM 1502 CA GLU A 135 11.120 2.237 -0.769 1.00 0.00 C ATOM 1503 C GLU A 135 11.151 0.723 -0.569 1.00 0.00 C ATOM 1504 O GLU A 135 11.834 0.009 -1.306 1.00 0.00 O ATOM 1505 CB GLU A 135 12.297 2.880 -0.031 1.00 0.00 C ATOM 1506 CG GLU A 135 13.517 3.105 -0.908 1.00 0.00 C ATOM 1507 CD GLU A 135 14.820 2.893 -0.163 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.266 1.731 -0.066 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.395 3.890 0.322 1.00 0.00 O ATOM 0 H GLU A 135 9.923 3.314 0.576 1.00 0.00 H new ATOM 0 HA GLU A 135 11.208 2.453 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.976 3.836 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.577 2.246 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.476 2.427 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.491 4.120 -1.306 1.00 0.00 H new ATOM 1516 N ALA A 136 10.411 0.240 0.432 1.00 0.00 N ATOM 1517 CA ALA A 136 10.356 -1.189 0.726 1.00 0.00 C ATOM 1518 C ALA A 136 9.379 -1.911 -0.203 1.00 0.00 C ATOM 1519 O ALA A 136 9.585 -3.076 -0.541 1.00 0.00 O ATOM 1520 CB ALA A 136 9.972 -1.408 2.181 1.00 0.00 C ATOM 0 H ALA A 136 9.843 0.819 1.051 1.00 0.00 H new ATOM 0 HA ALA A 136 11.347 -1.610 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.934 -2.477 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.713 -0.938 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.994 -0.966 2.370 1.00 0.00 H new ATOM 1526 N SER A 137 8.318 -1.212 -0.613 1.00 0.00 N ATOM 1527 CA SER A 137 7.313 -1.788 -1.511 1.00 0.00 C ATOM 1528 C SER A 137 7.737 -1.669 -2.978 1.00 0.00 C ATOM 1529 O SER A 137 7.329 -2.479 -3.813 1.00 0.00 O ATOM 1530 CB SER A 137 5.960 -1.100 -1.303 1.00 0.00 C ATOM 1531 OG SER A 137 4.891 -2.025 -1.414 1.00 0.00 O ATOM 0 H SER A 137 8.132 -0.247 -0.338 1.00 0.00 H new ATOM 0 HA SER A 137 7.222 -2.847 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.936 -0.629 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.836 -0.307 -2.040 1.00 0.00 H new ATOM 0 HG SER A 137 4.898 -2.627 -0.641 1.00 0.00 H new ATOM 1537 N LYS A 138 8.550 -0.652 -3.290 1.00 0.00 N ATOM 1538 CA LYS A 138 9.023 -0.426 -4.660 1.00 0.00 C ATOM 1539 C LYS A 138 9.838 -1.616 -5.177 1.00 0.00 C ATOM 1540 O LYS A 138 9.930 -1.831 -6.384 1.00 0.00 O ATOM 1541 CB LYS A 138 9.868 0.851 -4.723 1.00 0.00 C ATOM 1542 CG LYS A 138 10.166 1.325 -6.137 1.00 0.00 C ATOM 1543 CD LYS A 138 9.687 2.751 -6.363 1.00 0.00 C ATOM 1544 CE LYS A 138 10.521 3.467 -7.415 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.756 4.074 -6.836 1.00 0.00 N ATOM 0 H LYS A 138 8.894 0.027 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 138 8.147 -0.314 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.349 1.645 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 138 10.810 0.677 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.239 1.267 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.683 0.661 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.642 2.739 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.734 3.303 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.798 2.762 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.920 4.246 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.398 4.356 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.501 4.911 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.231 3.379 -6.226 1.00 0.00 H new ATOM 1559 N THR A 139 10.430 -2.378 -4.255 1.00 0.00 N ATOM 1560 CA THR A 139 11.241 -3.542 -4.609 1.00 0.00 C ATOM 1561 C THR A 139 10.378 -4.799 -4.735 1.00 0.00 C ATOM 1562 O THR A 139 9.912 -5.344 -3.738 1.00 0.00 O ATOM 1563 CB THR A 139 12.338 -3.757 -3.558 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.969 -3.193 -2.311 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.665 -3.150 -3.952 1.00 0.00 C ATOM 0 H THR A 139 10.361 -2.207 -3.252 1.00 0.00 H new ATOM 0 HA THR A 139 11.704 -3.352 -5.577 1.00 0.00 H new ATOM 0 HB THR A 139 12.450 -4.839 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.097 -3.547 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 139 14.398 -3.337 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 139 14.009 -3.600 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.547 -2.075 -4.090 1.00 0.00 H new