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 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= 0.0998 (180deg=-0.602) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -136:sc= 1.1 (180deg=0.231) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) 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= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= -0.11 (180deg=-1.73!) USER MOD Single : A 106 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : A 107 SER OG : rot -123:sc= 0.413 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 158:sc= -0.0803 (180deg=-0.441) USER MOD Single : A 134 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 137 SER OG : rot -32:sc= 1.14 USER MOD Single : A 138 LYS NZ :NH3+ -154:sc= 0.581 (180deg=-0.561) USER MOD Single : A 139 THR OG1 : rot 48:sc= 0.0599 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.254 -6.555 -8.284 1.00 0.00 N ATOM 92 CA ASN A 51 -4.342 -8.010 -8.436 1.00 0.00 C ATOM 93 C ASN A 51 -3.393 -8.725 -7.467 1.00 0.00 C ATOM 94 O ASN A 51 -2.726 -8.085 -6.652 1.00 0.00 O ATOM 95 CB ASN A 51 -4.024 -8.414 -9.879 1.00 0.00 C ATOM 96 CG ASN A 51 -5.247 -8.355 -10.776 1.00 0.00 C ATOM 97 OD1 ASN A 51 -6.157 -9.177 -10.655 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.279 -7.382 -11.679 1.00 0.00 N ATOM 0 HA ASN A 51 -5.362 -8.312 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.252 -7.755 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.617 -9.425 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.079 -7.294 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.504 -6.722 -11.745 1.00 0.00 H new ATOM 105 N PHE A 52 -3.336 -10.058 -7.563 1.00 0.00 N ATOM 106 CA PHE A 52 -2.466 -10.859 -6.698 1.00 0.00 C ATOM 107 C PHE A 52 -0.997 -10.527 -6.954 1.00 0.00 C ATOM 108 O PHE A 52 -0.496 -10.721 -8.063 1.00 0.00 O ATOM 109 CB PHE A 52 -2.707 -12.356 -6.922 1.00 0.00 C ATOM 110 CG PHE A 52 -4.118 -12.797 -6.635 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.778 -12.364 -5.496 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.779 -13.648 -7.506 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.072 -12.769 -5.233 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.072 -14.058 -7.246 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.720 -13.618 -6.108 1.00 0.00 C ATOM 0 H PHE A 52 -3.882 -10.603 -8.230 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.707 -10.616 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.463 -12.603 -7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.024 -12.923 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.275 -11.702 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.278 -13.994 -8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.577 -12.422 -4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.576 -14.722 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.731 -13.937 -5.903 1.00 0.00 H new ATOM 125 N GLY A 53 -0.319 -10.023 -5.925 1.00 0.00 N ATOM 126 CA GLY A 53 1.084 -9.665 -6.056 1.00 0.00 C ATOM 127 C GLY A 53 1.278 -8.324 -6.743 1.00 0.00 C ATOM 128 O GLY A 53 2.167 -8.174 -7.581 1.00 0.00 O ATOM 0 H GLY A 53 -0.717 -9.856 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.542 -9.633 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.602 -10.439 -6.623 1.00 0.00 H new ATOM 132 N ASP A 54 0.441 -7.349 -6.384 1.00 0.00 N ATOM 133 CA ASP A 54 0.515 -6.014 -6.966 1.00 0.00 C ATOM 134 C ASP A 54 0.600 -4.949 -5.875 1.00 0.00 C ATOM 135 O ASP A 54 -0.171 -4.972 -4.912 1.00 0.00 O ATOM 136 CB ASP A 54 -0.710 -5.755 -7.849 1.00 0.00 C ATOM 137 CG ASP A 54 -0.483 -6.155 -9.294 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.281 -7.360 -9.553 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.514 -5.263 -10.168 1.00 0.00 O ATOM 0 H ASP A 54 -0.298 -7.463 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 54 1.417 -5.958 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.562 -6.307 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.968 -4.697 -7.805 1.00 0.00 H new ATOM 144 N ARG A 55 1.537 -4.017 -6.035 1.00 0.00 N ATOM 145 CA ARG A 55 1.725 -2.937 -5.067 1.00 0.00 C ATOM 146 C ARG A 55 0.533 -1.983 -5.086 1.00 0.00 C ATOM 147 O ARG A 55 0.273 -1.315 -6.090 1.00 0.00 O ATOM 148 CB ARG A 55 3.024 -2.171 -5.354 1.00 0.00 C ATOM 149 CG ARG A 55 3.071 -1.519 -6.726 1.00 0.00 C ATOM 150 CD ARG A 55 4.501 -1.376 -7.229 1.00 0.00 C ATOM 151 NE ARG A 55 4.787 -2.281 -8.341 1.00 0.00 N ATOM 152 CZ ARG A 55 4.298 -2.127 -9.574 1.00 0.00 C ATOM 153 NH1 ARG A 55 3.479 -1.117 -9.857 1.00 0.00 N ATOM 154 NH2 ARG A 55 4.625 -2.992 -10.528 1.00 0.00 N ATOM 0 H ARG A 55 2.179 -3.987 -6.827 1.00 0.00 H new ATOM 0 HA ARG A 55 1.798 -3.381 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.155 -1.401 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.866 -2.857 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.494 -2.115 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.601 -0.537 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.672 -0.347 -7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.194 -1.577 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 55 5.397 -3.079 -8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.219 -0.452 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.111 -1.008 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.248 -3.772 -10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.253 -2.876 -11.471 1.00 0.00 H new ATOM 168 N ILE A 56 -0.194 -1.931 -3.972 1.00 0.00 N ATOM 169 CA ILE A 56 -1.368 -1.065 -3.857 1.00 0.00 C ATOM 170 C ILE A 56 -1.278 -0.159 -2.629 1.00 0.00 C ATOM 171 O ILE A 56 -0.537 -0.443 -1.688 1.00 0.00 O ATOM 172 CB ILE A 56 -2.675 -1.891 -3.794 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.625 -2.908 -2.651 1.00 0.00 C ATOM 174 CG2 ILE A 56 -2.922 -2.597 -5.123 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.941 -3.614 -2.408 1.00 0.00 C ATOM 0 H ILE A 56 0.008 -2.478 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.387 -0.442 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.501 -1.206 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.859 -3.652 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.321 -2.399 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.845 -3.174 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.008 -1.856 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.089 -3.266 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.829 -4.319 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.707 -2.880 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.237 -4.152 -3.308 1.00 0.00 H new ATOM 187 N LEU A 57 -2.039 0.935 -2.641 1.00 0.00 N ATOM 188 CA LEU A 57 -2.041 1.873 -1.521 1.00 0.00 C ATOM 189 C LEU A 57 -3.283 1.678 -0.661 1.00 0.00 C ATOM 190 O LEU A 57 -4.378 1.470 -1.181 1.00 0.00 O ATOM 191 CB LEU A 57 -1.971 3.320 -2.017 1.00 0.00 C ATOM 192 CG LEU A 57 -0.978 4.203 -1.258 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.438 3.678 -1.434 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.083 5.649 -1.724 1.00 0.00 C ATOM 0 H LEU A 57 -2.658 1.192 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.157 1.672 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.701 3.316 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.963 3.765 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.225 4.172 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.133 4.316 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.500 2.661 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.698 3.680 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.369 6.262 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.862 5.705 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.093 6.017 -1.543 1.00 0.00 H new ATOM 206 N VAL A 58 -3.109 1.735 0.656 1.00 0.00 N ATOM 207 CA VAL A 58 -4.222 1.552 1.581 1.00 0.00 C ATOM 208 C VAL A 58 -4.212 2.609 2.687 1.00 0.00 C ATOM 209 O VAL A 58 -3.152 2.999 3.181 1.00 0.00 O ATOM 210 CB VAL A 58 -4.191 0.145 2.219 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.872 -0.096 2.944 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.370 -0.046 3.162 1.00 0.00 C ATOM 0 H VAL A 58 -2.210 1.906 1.106 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.137 1.661 0.999 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.274 -0.590 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.876 -1.093 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.047 -0.015 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.748 0.648 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.328 -1.043 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.326 0.700 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.302 0.068 2.608 1.00 0.00 H new ATOM 222 N LYS A 59 -5.405 3.058 3.074 1.00 0.00 N ATOM 223 CA LYS A 59 -5.553 4.059 4.124 1.00 0.00 C ATOM 224 C LYS A 59 -6.012 3.403 5.426 1.00 0.00 C ATOM 225 O LYS A 59 -7.044 2.730 5.461 1.00 0.00 O ATOM 226 CB LYS A 59 -6.561 5.130 3.691 1.00 0.00 C ATOM 227 CG LYS A 59 -6.806 6.207 4.737 1.00 0.00 C ATOM 228 CD LYS A 59 -5.755 7.303 4.670 1.00 0.00 C ATOM 229 CE LYS A 59 -6.353 8.673 4.947 1.00 0.00 C ATOM 230 NZ LYS A 59 -5.357 9.769 4.772 1.00 0.00 N ATOM 0 H LYS A 59 -6.287 2.741 2.672 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.585 4.530 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.204 5.602 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.509 4.647 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.795 6.641 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.801 5.758 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.967 7.097 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.290 7.301 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.197 8.841 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.743 8.698 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.853 10.660 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.801 9.876 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.721 9.537 3.983 1.00 0.00 H new ATOM 244 N ALA A 60 -5.245 3.608 6.495 1.00 0.00 N ATOM 245 CA ALA A 60 -5.583 3.041 7.798 1.00 0.00 C ATOM 246 C ALA A 60 -6.537 3.963 8.556 1.00 0.00 C ATOM 247 O ALA A 60 -6.519 5.178 8.359 1.00 0.00 O ATOM 248 CB ALA A 60 -4.320 2.794 8.612 1.00 0.00 C ATOM 0 H ALA A 60 -4.388 4.161 6.484 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.085 2.087 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.588 2.371 9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.674 2.097 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.793 3.736 8.761 1.00 0.00 H new ATOM 254 N PRO A 61 -7.384 3.397 9.440 1.00 0.00 N ATOM 255 CA PRO A 61 -8.341 4.184 10.229 1.00 0.00 C ATOM 256 C PRO A 61 -7.634 5.126 11.200 1.00 0.00 C ATOM 257 O PRO A 61 -7.261 4.731 12.306 1.00 0.00 O ATOM 258 CB PRO A 61 -9.151 3.124 10.984 1.00 0.00 C ATOM 259 CG PRO A 61 -8.275 1.919 11.013 1.00 0.00 C ATOM 260 CD PRO A 61 -7.471 1.957 9.744 1.00 0.00 C ATOM 0 HA PRO A 61 -8.960 4.828 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.396 3.458 11.992 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.094 2.914 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.624 1.931 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.869 1.007 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.484 1.514 9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.960 1.405 8.941 1.00 0.00 H new ATOM 268 N GLY A 62 -7.437 6.372 10.768 1.00 0.00 N ATOM 269 CA GLY A 62 -6.761 7.354 11.598 1.00 0.00 C ATOM 270 C GLY A 62 -5.359 7.678 11.101 1.00 0.00 C ATOM 271 O GLY A 62 -4.842 8.764 11.366 1.00 0.00 O ATOM 0 H GLY A 62 -7.735 6.717 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.353 8.269 11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.702 6.981 12.620 1.00 0.00 H new ATOM 275 N TYR A 63 -4.743 6.734 10.386 1.00 0.00 N ATOM 276 CA TYR A 63 -3.393 6.923 9.858 1.00 0.00 C ATOM 277 C TYR A 63 -3.417 7.189 8.348 1.00 0.00 C ATOM 278 O TYR A 63 -4.405 6.893 7.673 1.00 0.00 O ATOM 279 CB TYR A 63 -2.537 5.689 10.161 1.00 0.00 C ATOM 280 CG TYR A 63 -1.943 5.684 11.556 1.00 0.00 C ATOM 281 CD1 TYR A 63 -2.655 5.173 12.634 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.669 6.189 11.792 1.00 0.00 C ATOM 283 CE1 TYR A 63 -2.116 5.164 13.907 1.00 0.00 C ATOM 284 CE2 TYR A 63 -0.124 6.183 13.061 1.00 0.00 C ATOM 285 CZ TYR A 63 -0.850 5.670 14.115 1.00 0.00 C ATOM 286 OH TYR A 63 -0.308 5.664 15.381 1.00 0.00 O ATOM 0 H TYR A 63 -5.159 5.831 10.160 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.957 7.795 10.346 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.147 4.795 10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.729 5.631 9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.647 4.776 12.475 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.097 6.592 10.970 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.683 4.763 14.734 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.867 6.579 13.227 1.00 0.00 H new ATOM 0 HH TYR A 63 0.590 6.055 15.354 1.00 0.00 H new ATOM 296 N PRO A 64 -2.322 7.759 7.801 1.00 0.00 N ATOM 297 CA PRO A 64 -2.217 8.071 6.365 1.00 0.00 C ATOM 298 C PRO A 64 -2.152 6.816 5.488 1.00 0.00 C ATOM 299 O PRO A 64 -2.326 5.697 5.974 1.00 0.00 O ATOM 300 CB PRO A 64 -0.908 8.866 6.270 1.00 0.00 C ATOM 301 CG PRO A 64 -0.111 8.437 7.451 1.00 0.00 C ATOM 302 CD PRO A 64 -1.104 8.150 8.541 1.00 0.00 C ATOM 0 HA PRO A 64 -3.090 8.614 6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.382 8.651 5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.096 9.940 6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.482 7.552 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.587 9.217 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.760 7.352 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.278 9.025 9.167 1.00 0.00 H new ATOM 310 N TRP A 65 -1.899 7.012 4.190 1.00 0.00 N ATOM 311 CA TRP A 65 -1.810 5.896 3.245 1.00 0.00 C ATOM 312 C TRP A 65 -0.440 5.218 3.328 1.00 0.00 C ATOM 313 O TRP A 65 0.571 5.875 3.575 1.00 0.00 O ATOM 314 CB TRP A 65 -2.056 6.374 1.809 1.00 0.00 C ATOM 315 CG TRP A 65 -3.367 7.080 1.613 1.00 0.00 C ATOM 316 CD1 TRP A 65 -3.655 8.376 1.933 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.562 6.534 1.040 1.00 0.00 C ATOM 318 NE1 TRP A 65 -4.955 8.667 1.600 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.535 7.553 1.051 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.907 5.281 0.522 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -6.825 7.359 0.563 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.189 5.091 0.036 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.133 6.124 0.061 1.00 0.00 C ATOM 0 H TRP A 65 -1.753 7.931 3.771 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.581 5.175 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.248 7.044 1.517 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.015 5.515 1.140 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -2.961 9.071 2.383 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.415 9.567 1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.186 4.477 0.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.555 8.154 0.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.466 4.129 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.126 5.942 -0.324 1.00 0.00 H new ATOM 334 N TRP A 66 -0.416 3.901 3.118 1.00 0.00 N ATOM 335 CA TRP A 66 0.828 3.136 3.167 1.00 0.00 C ATOM 336 C TRP A 66 0.931 2.167 1.985 1.00 0.00 C ATOM 337 O TRP A 66 -0.072 1.594 1.557 1.00 0.00 O ATOM 338 CB TRP A 66 0.921 2.357 4.482 1.00 0.00 C ATOM 339 CG TRP A 66 2.310 2.298 5.035 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.121 1.203 5.101 1.00 0.00 C ATOM 341 CD2 TRP A 66 3.056 3.384 5.595 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.325 1.538 5.668 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.309 2.874 5.980 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.785 4.738 5.808 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.289 3.671 6.564 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.761 5.527 6.385 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.998 4.991 6.758 1.00 0.00 C ATOM 0 H TRP A 66 -1.245 3.343 2.912 1.00 0.00 H new ATOM 0 HA TRP A 66 1.656 3.843 3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.263 2.819 5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.557 1.342 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.854 0.215 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.103 0.899 5.831 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.831 5.159 5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.245 3.260 6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.566 6.576 6.551 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.739 5.635 7.209 1.00 0.00 H new ATOM 358 N PRO A 67 2.153 1.968 1.444 1.00 0.00 N ATOM 359 CA PRO A 67 2.384 1.063 0.311 1.00 0.00 C ATOM 360 C PRO A 67 2.361 -0.410 0.726 1.00 0.00 C ATOM 361 O PRO A 67 3.362 -0.950 1.200 1.00 0.00 O ATOM 362 CB PRO A 67 3.777 1.468 -0.177 1.00 0.00 C ATOM 363 CG PRO A 67 4.468 1.972 1.043 1.00 0.00 C ATOM 364 CD PRO A 67 3.406 2.614 1.895 1.00 0.00 C ATOM 0 HA PRO A 67 1.608 1.149 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.307 0.621 -0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.720 2.237 -0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.956 1.157 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.244 2.691 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.586 2.441 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.374 3.694 1.749 1.00 0.00 H new ATOM 372 N ALA A 68 1.209 -1.053 0.536 1.00 0.00 N ATOM 373 CA ALA A 68 1.039 -2.462 0.876 1.00 0.00 C ATOM 374 C ALA A 68 0.811 -3.299 -0.385 1.00 0.00 C ATOM 375 O ALA A 68 0.108 -2.873 -1.300 1.00 0.00 O ATOM 376 CB ALA A 68 -0.123 -2.629 1.844 1.00 0.00 C ATOM 0 H ALA A 68 0.375 -0.615 0.145 1.00 0.00 H new ATOM 0 HA ALA A 68 1.951 -2.816 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.242 -3.684 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.077 -2.063 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.038 -2.260 1.381 1.00 0.00 H new ATOM 382 N LEU A 69 1.409 -4.487 -0.439 1.00 0.00 N ATOM 383 CA LEU A 69 1.259 -5.357 -1.606 1.00 0.00 C ATOM 384 C LEU A 69 0.132 -6.367 -1.402 1.00 0.00 C ATOM 385 O LEU A 69 0.095 -7.076 -0.396 1.00 0.00 O ATOM 386 CB LEU A 69 2.573 -6.087 -1.903 1.00 0.00 C ATOM 387 CG LEU A 69 3.409 -5.477 -3.030 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.885 -5.463 -2.658 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.196 -6.239 -4.330 1.00 0.00 C ATOM 0 H LEU A 69 1.996 -4.868 0.303 1.00 0.00 H new ATOM 0 HA LEU A 69 1.002 -4.729 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.174 -6.106 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.347 -7.122 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 69 3.081 -4.448 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.461 -5.025 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.027 -4.870 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.225 -6.483 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.799 -5.789 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.493 -7.279 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.143 -6.195 -4.609 1.00 0.00 H new ATOM 401 N LEU A 70 -0.784 -6.423 -2.369 1.00 0.00 N ATOM 402 CA LEU A 70 -1.921 -7.345 -2.306 1.00 0.00 C ATOM 403 C LEU A 70 -1.463 -8.798 -2.409 1.00 0.00 C ATOM 404 O LEU A 70 -0.661 -9.143 -3.279 1.00 0.00 O ATOM 405 CB LEU A 70 -2.919 -7.034 -3.427 1.00 0.00 C ATOM 406 CG LEU A 70 -4.392 -7.247 -3.068 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.279 -6.315 -3.880 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.791 -8.701 -3.290 1.00 0.00 C ATOM 0 H LEU A 70 -0.762 -5.841 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.408 -7.208 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.783 -5.997 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.678 -7.657 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.528 -7.013 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.322 -6.480 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.010 -5.280 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.141 -6.516 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.841 -8.834 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.641 -8.964 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.177 -9.347 -2.662 1.00 0.00 H new ATOM 420 N LEU A 71 -1.976 -9.645 -1.516 1.00 0.00 N ATOM 421 CA LEU A 71 -1.619 -11.061 -1.502 1.00 0.00 C ATOM 422 C LEU A 71 -2.770 -11.928 -2.022 1.00 0.00 C ATOM 423 O LEU A 71 -2.595 -12.685 -2.978 1.00 0.00 O ATOM 424 CB LEU A 71 -1.215 -11.488 -0.081 1.00 0.00 C ATOM 425 CG LEU A 71 -1.434 -12.964 0.262 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.588 -13.856 -0.636 1.00 0.00 C ATOM 427 CD2 LEU A 71 -1.113 -13.225 1.728 1.00 0.00 C ATOM 0 H LEU A 71 -2.641 -9.373 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.769 -11.207 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.160 -11.255 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.774 -10.882 0.632 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.484 -13.203 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.758 -14.901 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.865 -13.692 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.466 -13.615 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.274 -14.279 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.072 -12.967 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.762 -12.616 2.357 1.00 0.00 H new ATOM 439 N ARG A 72 -3.943 -11.819 -1.387 1.00 0.00 N ATOM 440 CA ARG A 72 -5.108 -12.606 -1.794 1.00 0.00 C ATOM 441 C ARG A 72 -6.419 -11.860 -1.540 1.00 0.00 C ATOM 442 O ARG A 72 -6.457 -10.880 -0.791 1.00 0.00 O ATOM 443 CB ARG A 72 -5.124 -13.949 -1.056 1.00 0.00 C ATOM 444 CG ARG A 72 -4.346 -15.044 -1.770 1.00 0.00 C ATOM 445 CD ARG A 72 -5.271 -16.089 -2.377 1.00 0.00 C ATOM 446 NE ARG A 72 -4.582 -17.357 -2.623 1.00 0.00 N ATOM 447 CZ ARG A 72 -5.205 -18.524 -2.807 1.00 0.00 C ATOM 448 NH1 ARG A 72 -6.534 -18.594 -2.791 1.00 0.00 N ATOM 449 NH2 ARG A 72 -4.495 -19.627 -3.014 1.00 0.00 N ATOM 0 H ARG A 72 -4.108 -11.198 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.025 -12.779 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.708 -13.811 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.157 -14.272 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.732 -14.602 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.666 -15.525 -1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.114 -16.259 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.679 -15.711 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.563 -17.349 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.087 -17.751 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.999 -19.491 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.476 -19.582 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.969 -20.519 -3.155 1.00 0.00 H new ATOM 463 N ARG A 73 -7.493 -12.346 -2.167 1.00 0.00 N ATOM 464 CA ARG A 73 -8.819 -11.751 -2.021 1.00 0.00 C ATOM 465 C ARG A 73 -9.763 -12.733 -1.333 1.00 0.00 C ATOM 466 O ARG A 73 -10.117 -13.769 -1.899 1.00 0.00 O ATOM 467 CB ARG A 73 -9.379 -11.356 -3.391 1.00 0.00 C ATOM 468 CG ARG A 73 -10.504 -10.334 -3.323 1.00 0.00 C ATOM 469 CD ARG A 73 -11.871 -11.002 -3.372 1.00 0.00 C ATOM 470 NE ARG A 73 -12.850 -10.197 -4.105 1.00 0.00 N ATOM 471 CZ ARG A 73 -12.934 -10.153 -5.437 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.086 -10.847 -6.193 1.00 0.00 N ATOM 473 NH2 ARG A 73 -13.869 -9.405 -6.015 1.00 0.00 N ATOM 0 H ARG A 73 -7.467 -13.157 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.733 -10.855 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.571 -10.953 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.743 -12.251 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.414 -9.754 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.411 -9.633 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.780 -11.980 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.228 -11.171 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.508 -9.635 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.364 -11.419 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.159 -10.807 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.519 -8.867 -5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.936 -9.369 -7.032 1.00 0.00 H new ATOM 487 N LYS A 74 -10.162 -12.404 -0.105 1.00 0.00 N ATOM 488 CA LYS A 74 -11.056 -13.261 0.668 1.00 0.00 C ATOM 489 C LYS A 74 -12.421 -12.600 0.866 1.00 0.00 C ATOM 490 O LYS A 74 -12.509 -11.458 1.321 1.00 0.00 O ATOM 491 CB LYS A 74 -10.428 -13.593 2.025 1.00 0.00 C ATOM 492 CG LYS A 74 -9.716 -12.418 2.677 1.00 0.00 C ATOM 493 CD LYS A 74 -9.837 -12.464 4.191 1.00 0.00 C ATOM 494 CE LYS A 74 -8.897 -11.469 4.853 1.00 0.00 C ATOM 495 NZ LYS A 74 -8.017 -12.120 5.862 1.00 0.00 N ATOM 0 H LYS A 74 -9.879 -11.549 0.375 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.206 -14.185 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.207 -13.952 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.718 -14.410 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.663 -12.427 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.138 -11.484 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.864 -12.245 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.612 -13.470 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.282 -10.989 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.480 -10.684 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.976 -11.531 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.400 -13.056 6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.060 -12.228 5.470 1.00 0.00 H new ATOM 509 N GLU A 75 -13.480 -13.330 0.517 1.00 0.00 N ATOM 510 CA GLU A 75 -14.845 -12.829 0.647 1.00 0.00 C ATOM 511 C GLU A 75 -15.561 -13.494 1.823 1.00 0.00 C ATOM 512 O GLU A 75 -15.830 -14.695 1.793 1.00 0.00 O ATOM 513 CB GLU A 75 -15.623 -13.086 -0.646 1.00 0.00 C ATOM 514 CG GLU A 75 -16.716 -12.065 -0.914 1.00 0.00 C ATOM 515 CD GLU A 75 -18.047 -12.708 -1.251 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.800 -13.037 -0.309 1.00 0.00 O ATOM 517 OE2 GLU A 75 -18.336 -12.882 -2.452 1.00 0.00 O ATOM 0 H GLU A 75 -13.416 -14.276 0.140 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.798 -11.756 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.926 -13.088 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.069 -14.079 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.836 -11.429 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.410 -11.419 -1.737 1.00 0.00 H new ATOM 524 N THR A 76 -15.869 -12.705 2.853 1.00 0.00 N ATOM 525 CA THR A 76 -16.560 -13.223 4.030 1.00 0.00 C ATOM 526 C THR A 76 -17.822 -12.412 4.323 1.00 0.00 C ATOM 527 O THR A 76 -17.774 -11.189 4.444 1.00 0.00 O ATOM 528 CB THR A 76 -15.625 -13.228 5.248 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.282 -13.765 6.385 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.110 -11.856 5.629 1.00 0.00 C ATOM 0 H THR A 76 -15.651 -11.709 2.895 1.00 0.00 H new ATOM 0 HA THR A 76 -16.859 -14.250 3.822 1.00 0.00 H new ATOM 0 HB THR A 76 -14.777 -13.843 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.669 -13.761 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.457 -11.941 6.497 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.551 -11.432 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.951 -11.206 5.870 1.00 0.00 H new ATOM 666 N PHE A 86 -21.829 -9.112 3.096 1.00 0.00 N ATOM 667 CA PHE A 86 -20.738 -9.052 2.118 1.00 0.00 C ATOM 668 C PHE A 86 -19.587 -8.194 2.639 1.00 0.00 C ATOM 669 O PHE A 86 -19.578 -6.973 2.467 1.00 0.00 O ATOM 670 CB PHE A 86 -21.233 -8.515 0.768 1.00 0.00 C ATOM 671 CG PHE A 86 -21.736 -9.580 -0.169 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.661 -10.521 0.260 1.00 0.00 C ATOM 673 CD2 PHE A 86 -21.284 -9.640 -1.478 1.00 0.00 C ATOM 674 CE1 PHE A 86 -23.125 -11.497 -0.600 1.00 0.00 C ATOM 675 CE2 PHE A 86 -21.745 -10.615 -2.341 1.00 0.00 C ATOM 676 CZ PHE A 86 -22.666 -11.545 -1.902 1.00 0.00 C ATOM 0 HA PHE A 86 -20.373 -10.068 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -22.032 -7.796 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -20.420 -7.974 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.022 -10.490 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -20.563 -8.916 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -23.847 -12.223 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.385 -10.650 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 86 -23.027 -12.309 -2.575 1.00 0.00 H new ATOM 686 N ASN A 87 -18.612 -8.848 3.264 1.00 0.00 N ATOM 687 CA ASN A 87 -17.449 -8.165 3.802 1.00 0.00 C ATOM 688 C ASN A 87 -16.182 -8.796 3.244 1.00 0.00 C ATOM 689 O ASN A 87 -15.532 -9.616 3.895 1.00 0.00 O ATOM 690 CB ASN A 87 -17.451 -8.235 5.335 1.00 0.00 C ATOM 691 CG ASN A 87 -17.501 -6.865 5.984 1.00 0.00 C ATOM 692 OD1 ASN A 87 -16.591 -6.481 6.720 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.569 -6.119 5.717 1.00 0.00 N ATOM 0 H ASN A 87 -18.609 -9.858 3.409 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.483 -7.116 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.308 -8.821 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.557 -8.760 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -18.657 -5.189 6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.300 -6.476 5.102 1.00 0.00 H new ATOM 700 N VAL A 88 -15.838 -8.398 2.031 1.00 0.00 N ATOM 701 CA VAL A 88 -14.648 -8.906 1.360 1.00 0.00 C ATOM 702 C VAL A 88 -13.500 -7.913 1.491 1.00 0.00 C ATOM 703 O VAL A 88 -13.625 -6.748 1.109 1.00 0.00 O ATOM 704 CB VAL A 88 -14.911 -9.220 -0.133 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.839 -8.186 -0.763 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.605 -9.319 -0.910 1.00 0.00 C ATOM 0 H VAL A 88 -16.369 -7.719 1.485 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.375 -9.841 1.850 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.409 -10.188 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.003 -8.435 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.793 -8.185 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.384 -7.198 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.820 -9.540 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.069 -8.373 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.991 -10.115 -0.489 1.00 0.00 H new ATOM 716 N LEU A 89 -12.389 -8.384 2.043 1.00 0.00 N ATOM 717 CA LEU A 89 -11.214 -7.545 2.242 1.00 0.00 C ATOM 718 C LEU A 89 -10.052 -7.992 1.359 1.00 0.00 C ATOM 719 O LEU A 89 -10.090 -9.064 0.750 1.00 0.00 O ATOM 720 CB LEU A 89 -10.772 -7.565 3.708 1.00 0.00 C ATOM 721 CG LEU A 89 -11.899 -7.592 4.745 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.394 -8.158 6.065 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.471 -6.196 4.942 1.00 0.00 C ATOM 0 H LEU A 89 -12.277 -9.346 2.362 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.495 -6.529 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.139 -8.438 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.154 -6.686 3.893 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.695 -8.240 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.207 -8.170 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.031 -9.174 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.582 -7.536 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.271 -6.232 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.684 -5.526 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.868 -5.829 3.996 1.00 0.00 H new ATOM 735 N TYR A 90 -9.016 -7.160 1.311 1.00 0.00 N ATOM 736 CA TYR A 90 -7.825 -7.447 0.526 1.00 0.00 C ATOM 737 C TYR A 90 -6.620 -7.654 1.437 1.00 0.00 C ATOM 738 O TYR A 90 -6.142 -6.710 2.070 1.00 0.00 O ATOM 739 CB TYR A 90 -7.548 -6.300 -0.450 1.00 0.00 C ATOM 740 CG TYR A 90 -8.025 -6.578 -1.857 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.888 -7.841 -2.417 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.611 -5.581 -2.625 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.320 -8.103 -3.698 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.049 -5.836 -3.911 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.900 -7.099 -4.443 1.00 0.00 C ATOM 746 OH TYR A 90 -9.335 -7.358 -5.722 1.00 0.00 O ATOM 0 H TYR A 90 -8.980 -6.273 1.813 1.00 0.00 H new ATOM 0 HA TYR A 90 -7.998 -8.363 -0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.033 -5.396 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.476 -6.102 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.435 -8.632 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.727 -4.590 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.205 -9.092 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.505 -5.051 -4.495 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.720 -6.544 -6.108 1.00 0.00 H new ATOM 756 N LYS A 91 -6.130 -8.892 1.501 1.00 0.00 N ATOM 757 CA LYS A 91 -4.974 -9.218 2.336 1.00 0.00 C ATOM 758 C LYS A 91 -3.713 -8.576 1.758 1.00 0.00 C ATOM 759 O LYS A 91 -3.102 -9.118 0.836 1.00 0.00 O ATOM 760 CB LYS A 91 -4.788 -10.737 2.432 1.00 0.00 C ATOM 761 CG LYS A 91 -5.898 -11.453 3.187 1.00 0.00 C ATOM 762 CD LYS A 91 -5.473 -12.856 3.600 1.00 0.00 C ATOM 763 CE LYS A 91 -6.555 -13.885 3.303 1.00 0.00 C ATOM 764 NZ LYS A 91 -6.293 -15.189 3.978 1.00 0.00 N ATOM 0 H LYS A 91 -6.515 -9.684 0.986 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.150 -8.825 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.724 -11.149 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.837 -10.945 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.168 -10.877 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.788 -11.510 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.558 -13.128 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.243 -12.867 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.521 -13.498 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.619 -14.042 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.055 -15.858 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.384 -15.573 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.258 -15.046 5.008 1.00 0.00 H new ATOM 778 N VAL A 92 -3.338 -7.413 2.289 1.00 0.00 N ATOM 779 CA VAL A 92 -2.158 -6.700 1.804 1.00 0.00 C ATOM 780 C VAL A 92 -1.004 -6.770 2.800 1.00 0.00 C ATOM 781 O VAL A 92 -1.213 -6.728 4.015 1.00 0.00 O ATOM 782 CB VAL A 92 -2.471 -5.217 1.497 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.647 -5.101 0.539 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.737 -4.434 2.778 1.00 0.00 C ATOM 0 H VAL A 92 -3.831 -6.947 3.051 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.860 -7.199 0.882 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.595 -4.783 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.849 -4.049 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.407 -5.610 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.528 -5.561 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.954 -3.395 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.590 -4.869 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.858 -4.478 3.421 1.00 0.00 H new ATOM 794 N LEU A 93 0.216 -6.852 2.270 1.00 0.00 N ATOM 795 CA LEU A 93 1.413 -6.902 3.098 1.00 0.00 C ATOM 796 C LEU A 93 2.055 -5.521 3.164 1.00 0.00 C ATOM 797 O LEU A 93 2.218 -4.852 2.145 1.00 0.00 O ATOM 798 CB LEU A 93 2.411 -7.928 2.548 1.00 0.00 C ATOM 799 CG LEU A 93 3.358 -8.539 3.588 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.592 -9.431 4.554 1.00 0.00 C ATOM 801 CD2 LEU A 93 4.470 -9.321 2.902 1.00 0.00 C ATOM 0 H LEU A 93 0.398 -6.885 1.267 1.00 0.00 H new ATOM 0 HA LEU A 93 1.128 -7.211 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.853 -8.733 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.009 -7.450 1.772 1.00 0.00 H new ATOM 0 HG LEU A 93 3.810 -7.728 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.282 -9.854 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.835 -8.842 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.110 -10.237 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.133 -9.748 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.036 -10.123 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.039 -8.653 2.255 1.00 0.00 H new ATOM 813 N PHE A 94 2.404 -5.099 4.372 1.00 0.00 N ATOM 814 CA PHE A 94 3.015 -3.790 4.589 1.00 0.00 C ATOM 815 C PHE A 94 4.544 -3.878 4.565 1.00 0.00 C ATOM 816 O PHE A 94 5.113 -4.950 4.763 1.00 0.00 O ATOM 817 CB PHE A 94 2.545 -3.217 5.929 1.00 0.00 C ATOM 818 CG PHE A 94 1.271 -2.418 5.843 1.00 0.00 C ATOM 819 CD1 PHE A 94 0.098 -2.988 5.362 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.247 -1.092 6.247 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.066 -2.248 5.286 1.00 0.00 C ATOM 822 CE2 PHE A 94 0.085 -0.350 6.172 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.073 -0.930 5.692 1.00 0.00 C ATOM 0 H PHE A 94 2.274 -5.646 5.223 1.00 0.00 H new ATOM 0 HA PHE A 94 2.704 -3.130 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.400 -4.037 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.332 -2.583 6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.097 -4.020 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.149 -0.634 6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.971 -2.702 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.082 0.683 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.983 -0.352 5.635 1.00 0.00 H new ATOM 833 N PHE A 95 5.197 -2.740 4.319 1.00 0.00 N ATOM 834 CA PHE A 95 6.662 -2.680 4.263 1.00 0.00 C ATOM 835 C PHE A 95 7.184 -1.397 4.917 1.00 0.00 C ATOM 836 O PHE A 95 6.436 -0.430 5.076 1.00 0.00 O ATOM 837 CB PHE A 95 7.136 -2.746 2.806 1.00 0.00 C ATOM 838 CG PHE A 95 6.500 -3.854 2.015 1.00 0.00 C ATOM 839 CD1 PHE A 95 7.040 -5.129 2.031 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.359 -3.621 1.264 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.457 -6.152 1.312 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.772 -4.640 0.543 1.00 0.00 C ATOM 843 CZ PHE A 95 5.321 -5.908 0.567 1.00 0.00 C ATOM 0 H PHE A 95 4.735 -1.846 4.155 1.00 0.00 H new ATOM 0 HA PHE A 95 7.057 -3.534 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.921 -1.794 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.218 -2.875 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.928 -5.325 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.925 -2.632 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.889 -7.142 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.884 -4.447 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.862 -6.707 0.004 1.00 0.00 H new ATOM 853 N PRO A 96 8.476 -1.364 5.313 1.00 0.00 N ATOM 854 CA PRO A 96 9.424 -2.482 5.154 1.00 0.00 C ATOM 855 C PRO A 96 9.270 -3.582 6.212 1.00 0.00 C ATOM 856 O PRO A 96 9.694 -4.716 5.993 1.00 0.00 O ATOM 857 CB PRO A 96 10.798 -1.816 5.311 1.00 0.00 C ATOM 858 CG PRO A 96 10.541 -0.349 5.461 1.00 0.00 C ATOM 859 CD PRO A 96 9.130 -0.216 5.949 1.00 0.00 C ATOM 0 HA PRO A 96 9.263 -2.985 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.323 -2.209 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.427 -2.013 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.240 0.098 6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.674 0.168 4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.069 -0.263 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.681 0.729 5.645 1.00 0.00 H new ATOM 867 N ASP A 97 8.688 -3.228 7.363 1.00 0.00 N ATOM 868 CA ASP A 97 8.491 -4.169 8.480 1.00 0.00 C ATOM 869 C ASP A 97 7.970 -5.539 8.029 1.00 0.00 C ATOM 870 O ASP A 97 8.214 -6.543 8.699 1.00 0.00 O ATOM 871 CB ASP A 97 7.522 -3.578 9.509 1.00 0.00 C ATOM 872 CG ASP A 97 8.223 -2.715 10.541 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.032 -3.259 11.321 1.00 0.00 O ATOM 874 OD2 ASP A 97 7.959 -1.495 10.569 1.00 0.00 O ATOM 0 H ASP A 97 8.341 -2.287 7.550 1.00 0.00 H new ATOM 0 HA ASP A 97 9.474 -4.322 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.769 -2.982 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.996 -4.388 10.015 1.00 0.00 H new ATOM 879 N PHE A 98 7.242 -5.574 6.909 1.00 0.00 N ATOM 880 CA PHE A 98 6.676 -6.821 6.377 1.00 0.00 C ATOM 881 C PHE A 98 5.423 -7.231 7.155 1.00 0.00 C ATOM 882 O PHE A 98 5.171 -8.419 7.370 1.00 0.00 O ATOM 883 CB PHE A 98 7.710 -7.959 6.394 1.00 0.00 C ATOM 884 CG PHE A 98 9.006 -7.616 5.709 1.00 0.00 C ATOM 885 CD1 PHE A 98 9.016 -7.148 4.404 1.00 0.00 C ATOM 886 CD2 PHE A 98 10.212 -7.762 6.373 1.00 0.00 C ATOM 887 CE1 PHE A 98 10.206 -6.833 3.776 1.00 0.00 C ATOM 888 CE2 PHE A 98 11.404 -7.449 5.750 1.00 0.00 C ATOM 889 CZ PHE A 98 11.402 -6.983 4.450 1.00 0.00 C ATOM 0 H PHE A 98 7.029 -4.749 6.349 1.00 0.00 H new ATOM 0 HA PHE A 98 6.395 -6.634 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.918 -8.232 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.278 -8.837 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.084 -7.028 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.221 -8.125 7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.201 -6.470 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.338 -7.569 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 98 12.333 -6.737 3.962 1.00 0.00 H new ATOM 899 N ASN A 99 4.632 -6.238 7.557 1.00 0.00 N ATOM 900 CA ASN A 99 3.394 -6.484 8.292 1.00 0.00 C ATOM 901 C ASN A 99 2.244 -6.706 7.308 1.00 0.00 C ATOM 902 O ASN A 99 2.479 -7.004 6.139 1.00 0.00 O ATOM 903 CB ASN A 99 3.088 -5.302 9.219 1.00 0.00 C ATOM 904 CG ASN A 99 2.701 -5.734 10.624 1.00 0.00 C ATOM 905 OD1 ASN A 99 2.289 -6.873 10.847 1.00 0.00 O ATOM 906 ND2 ASN A 99 2.829 -4.819 11.580 1.00 0.00 N ATOM 0 H ASN A 99 4.828 -5.252 7.385 1.00 0.00 H new ATOM 0 HA ASN A 99 3.511 -7.379 8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.962 -4.653 9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.278 -4.711 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.582 -5.049 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.174 -3.887 11.351 1.00 0.00 H new ATOM 913 N PHE A 100 1.003 -6.558 7.770 1.00 0.00 N ATOM 914 CA PHE A 100 -0.159 -6.742 6.897 1.00 0.00 C ATOM 915 C PHE A 100 -1.388 -6.040 7.457 1.00 0.00 C ATOM 916 O PHE A 100 -1.350 -5.473 8.551 1.00 0.00 O ATOM 917 CB PHE A 100 -0.461 -8.232 6.682 1.00 0.00 C ATOM 918 CG PHE A 100 0.032 -9.110 7.792 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.330 -9.587 7.779 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.796 -9.446 8.846 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.795 -10.384 8.802 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.340 -10.244 9.872 1.00 0.00 C ATOM 923 CZ PHE A 100 0.961 -10.714 9.850 1.00 0.00 C ATOM 0 H PHE A 100 0.776 -6.314 8.734 1.00 0.00 H new ATOM 0 HA PHE A 100 0.087 -6.294 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.538 -8.364 6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.007 -8.555 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.985 -9.332 6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.812 -9.079 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.811 -10.750 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.996 -10.502 10.691 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.323 -11.339 10.653 1.00 0.00 H new ATOM 933 N ALA A 101 -2.475 -6.074 6.691 1.00 0.00 N ATOM 934 CA ALA A 101 -3.722 -5.436 7.095 1.00 0.00 C ATOM 935 C ALA A 101 -4.886 -5.873 6.205 1.00 0.00 C ATOM 936 O ALA A 101 -4.800 -5.801 4.978 1.00 0.00 O ATOM 937 CB ALA A 101 -3.562 -3.921 7.053 1.00 0.00 C ATOM 0 H ALA A 101 -2.516 -6.539 5.784 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.951 -5.747 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.496 -3.448 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.766 -3.620 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.309 -3.610 6.039 1.00 0.00 H new ATOM 943 N TRP A 102 -5.977 -6.317 6.831 1.00 0.00 N ATOM 944 CA TRP A 102 -7.162 -6.753 6.092 1.00 0.00 C ATOM 945 C TRP A 102 -8.126 -5.580 5.910 1.00 0.00 C ATOM 946 O TRP A 102 -8.801 -5.170 6.857 1.00 0.00 O ATOM 947 CB TRP A 102 -7.868 -7.899 6.832 1.00 0.00 C ATOM 948 CG TRP A 102 -6.953 -9.015 7.255 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.656 -9.212 6.870 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.274 -10.091 8.146 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.152 -10.342 7.469 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.127 -10.899 8.256 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.420 -10.447 8.861 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -6.094 -12.041 9.053 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -8.386 -11.582 9.651 1.00 0.00 C ATOM 956 CH2 TRP A 102 -7.231 -12.366 9.742 1.00 0.00 C ATOM 0 H TRP A 102 -6.064 -6.384 7.845 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.846 -7.113 5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.363 -7.496 7.715 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.647 -8.307 6.188 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.107 -8.573 6.194 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.207 -10.707 7.348 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.316 -9.847 8.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.204 -12.648 9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.267 -11.868 10.207 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.237 -13.246 10.369 1.00 0.00 H new ATOM 967 N VAL A 103 -8.173 -5.033 4.694 1.00 0.00 N ATOM 968 CA VAL A 103 -9.040 -3.893 4.397 1.00 0.00 C ATOM 969 C VAL A 103 -9.727 -4.050 3.038 1.00 0.00 C ATOM 970 O VAL A 103 -9.173 -4.657 2.122 1.00 0.00 O ATOM 971 CB VAL A 103 -8.233 -2.573 4.409 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.091 -2.629 3.403 1.00 0.00 C ATOM 973 CG2 VAL A 103 -9.137 -1.378 4.135 1.00 0.00 C ATOM 0 H VAL A 103 -7.622 -5.361 3.901 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.804 -3.860 5.174 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.805 -2.449 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.537 -1.690 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.423 -3.452 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.495 -2.785 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.545 -0.463 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.605 -1.492 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.909 -1.322 4.902 1.00 0.00 H new ATOM 983 N LYS A 104 -10.933 -3.489 2.913 1.00 0.00 N ATOM 984 CA LYS A 104 -11.690 -3.562 1.661 1.00 0.00 C ATOM 985 C LYS A 104 -10.994 -2.785 0.542 1.00 0.00 C ATOM 986 O LYS A 104 -9.966 -2.143 0.760 1.00 0.00 O ATOM 987 CB LYS A 104 -13.106 -3.014 1.858 1.00 0.00 C ATOM 988 CG LYS A 104 -14.102 -4.057 2.338 1.00 0.00 C ATOM 989 CD LYS A 104 -15.033 -3.491 3.398 1.00 0.00 C ATOM 990 CE LYS A 104 -14.278 -3.156 4.678 1.00 0.00 C ATOM 991 NZ LYS A 104 -14.684 -4.028 5.816 1.00 0.00 N ATOM 0 H LYS A 104 -11.405 -2.981 3.661 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.744 -4.612 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.073 -2.197 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.458 -2.594 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.688 -4.418 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.565 -4.915 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.520 -2.594 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.820 -4.213 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.207 -3.263 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.456 -2.113 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.880 -4.148 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.477 -3.588 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.978 -4.957 5.453 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.568 -2.849 -0.659 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.011 -2.156 -1.824 1.00 0.00 C ATOM 1007 C ARG A 105 -11.263 -0.646 -1.767 1.00 0.00 C ATOM 1008 O ARG A 105 -10.535 0.127 -2.389 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.595 -2.719 -3.126 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.750 -4.233 -3.138 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.200 -4.651 -2.929 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.970 -4.608 -4.171 1.00 0.00 N ATOM 1013 CZ ARG A 105 -13.790 -5.448 -5.193 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -12.873 -6.411 -5.122 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -14.531 -5.329 -6.287 1.00 0.00 N ATOM 0 H ARG A 105 -12.420 -3.375 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.934 -2.326 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.570 -2.264 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.953 -2.424 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.390 -4.628 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.129 -4.669 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.230 -5.661 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.664 -3.994 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.690 -3.891 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.302 -6.511 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.741 -7.049 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.238 -4.596 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.394 -5.970 -7.068 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.298 -0.226 -1.031 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.628 1.199 -0.919 1.00 0.00 C ATOM 1031 C ASN A 106 -11.479 1.992 -0.293 1.00 0.00 C ATOM 1032 O ASN A 106 -11.147 3.079 -0.764 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.916 1.414 -0.111 1.00 0.00 C ATOM 1034 CG ASN A 106 -13.928 0.660 1.208 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -13.240 1.035 2.157 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -14.716 -0.410 1.275 1.00 0.00 N ATOM 0 H ASN A 106 -12.917 -0.846 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.790 1.568 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.040 2.479 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.770 1.099 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.766 -0.954 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.270 -0.687 0.465 1.00 0.00 H new ATOM 1043 N SER A 107 -10.868 1.443 0.759 1.00 0.00 N ATOM 1044 CA SER A 107 -9.748 2.111 1.425 1.00 0.00 C ATOM 1045 C SER A 107 -8.436 1.894 0.659 1.00 0.00 C ATOM 1046 O SER A 107 -7.408 2.475 1.008 1.00 0.00 O ATOM 1047 CB SER A 107 -9.599 1.619 2.868 1.00 0.00 C ATOM 1048 OG SER A 107 -9.555 2.707 3.775 1.00 0.00 O ATOM 0 H SER A 107 -11.127 0.544 1.166 1.00 0.00 H new ATOM 0 HA SER A 107 -9.966 3.179 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.433 0.964 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.689 1.026 2.961 1.00 0.00 H new ATOM 0 HG SER A 107 -8.725 2.666 4.295 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.479 1.055 -0.382 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.299 0.768 -1.190 1.00 0.00 C ATOM 1056 C VAL A 108 -7.315 1.575 -2.494 1.00 0.00 C ATOM 1057 O VAL A 108 -8.380 1.935 -2.999 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.210 -0.737 -1.520 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -5.964 -1.046 -2.340 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.236 -1.573 -0.246 1.00 0.00 C ATOM 0 H VAL A 108 -9.322 0.565 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.426 1.057 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.082 -0.999 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.927 -2.113 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.995 -0.486 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.077 -0.760 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.172 -2.630 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.390 -1.301 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.165 -1.386 0.293 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.125 1.855 -3.029 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.982 2.620 -4.269 1.00 0.00 C ATOM 1072 C LYS A 109 -4.859 2.038 -5.137 1.00 0.00 C ATOM 1073 O LYS A 109 -3.803 1.668 -4.622 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.689 4.089 -3.945 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.573 4.986 -5.170 1.00 0.00 C ATOM 1076 CD LYS A 109 -5.099 6.384 -4.797 1.00 0.00 C ATOM 1077 CE LYS A 109 -4.036 6.895 -5.760 1.00 0.00 C ATOM 1078 NZ LYS A 109 -4.310 8.291 -6.206 1.00 0.00 N ATOM 0 H LYS A 109 -5.239 1.560 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.916 2.556 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.480 4.472 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.760 4.146 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.877 4.543 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.540 5.050 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.948 7.068 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.697 6.374 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.060 6.854 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.989 6.239 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.563 8.600 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.230 8.327 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.329 8.922 -5.380 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.074 1.951 -6.468 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.071 1.413 -7.399 1.00 0.00 C ATOM 1094 C PRO A 110 -2.814 2.282 -7.465 1.00 0.00 C ATOM 1095 O PRO A 110 -2.859 3.426 -7.926 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.798 1.407 -8.750 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.881 2.421 -8.607 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.304 2.371 -7.166 1.00 0.00 C ATOM 0 HA PRO A 110 -3.717 0.429 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.121 1.664 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.206 0.422 -8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.523 3.415 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.718 2.195 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.654 3.342 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.118 1.663 -7.010 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.695 1.730 -6.992 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.420 2.449 -6.988 1.00 0.00 C ATOM 1108 C LEU A 111 0.397 2.131 -8.239 1.00 0.00 C ATOM 1109 O LEU A 111 0.287 1.038 -8.802 1.00 0.00 O ATOM 1110 CB LEU A 111 0.379 2.092 -5.729 1.00 0.00 C ATOM 1111 CG LEU A 111 1.642 2.926 -5.495 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.287 4.386 -5.255 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.438 2.368 -4.321 1.00 0.00 C ATOM 0 H LEU A 111 -1.646 0.787 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.632 3.518 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.273 2.200 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.663 1.041 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 111 2.261 2.870 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.199 4.960 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.761 4.780 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.646 4.465 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.332 2.972 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.824 2.394 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.727 1.339 -4.534 1.00 0.00 H new ATOM 1125 N LEU A 112 1.221 3.089 -8.666 1.00 0.00 N ATOM 1126 CA LEU A 112 2.062 2.913 -9.849 1.00 0.00 C ATOM 1127 C LEU A 112 3.539 3.113 -9.503 1.00 0.00 C ATOM 1128 O LEU A 112 3.872 3.557 -8.404 1.00 0.00 O ATOM 1129 CB LEU A 112 1.644 3.878 -10.968 1.00 0.00 C ATOM 1130 CG LEU A 112 0.994 5.187 -10.507 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.360 6.327 -11.448 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.518 5.032 -10.417 1.00 0.00 C ATOM 0 H LEU A 112 1.323 3.995 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 112 1.925 1.892 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.525 4.121 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.948 3.361 -11.628 1.00 0.00 H new ATOM 0 HG LEU A 112 1.374 5.427 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.889 7.248 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.442 6.455 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.011 6.095 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.961 5.972 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.915 4.767 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.761 4.246 -9.702 1.00 0.00 H new ATOM 1144 N ASP A 113 4.418 2.783 -10.452 1.00 0.00 N ATOM 1145 CA ASP A 113 5.862 2.921 -10.250 1.00 0.00 C ATOM 1146 C ASP A 113 6.262 4.391 -10.157 1.00 0.00 C ATOM 1147 O ASP A 113 6.983 4.787 -9.241 1.00 0.00 O ATOM 1148 CB ASP A 113 6.635 2.239 -11.383 1.00 0.00 C ATOM 1149 CG ASP A 113 8.136 2.256 -11.149 1.00 0.00 C ATOM 1150 OD1 ASP A 113 8.587 1.693 -10.128 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.859 2.837 -11.985 1.00 0.00 O ATOM 0 H ASP A 113 4.155 2.418 -11.368 1.00 0.00 H new ATOM 0 HA ASP A 113 6.115 2.433 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.297 1.208 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.411 2.739 -12.325 1.00 0.00 H new ATOM 1156 N SER A 114 5.786 5.194 -11.111 1.00 0.00 N ATOM 1157 CA SER A 114 6.089 6.625 -11.135 1.00 0.00 C ATOM 1158 C SER A 114 5.653 7.291 -9.833 1.00 0.00 C ATOM 1159 O SER A 114 6.354 8.157 -9.313 1.00 0.00 O ATOM 1160 CB SER A 114 5.403 7.305 -12.325 1.00 0.00 C ATOM 1161 OG SER A 114 5.555 6.542 -13.511 1.00 0.00 O ATOM 0 H SER A 114 5.190 4.877 -11.876 1.00 0.00 H new ATOM 0 HA SER A 114 7.168 6.738 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.343 7.439 -12.109 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.826 8.299 -12.472 1.00 0.00 H new ATOM 0 HG SER A 114 5.106 6.998 -14.253 1.00 0.00 H new ATOM 1167 N GLU A 115 4.496 6.879 -9.307 1.00 0.00 N ATOM 1168 CA GLU A 115 3.983 7.445 -8.059 1.00 0.00 C ATOM 1169 C GLU A 115 4.907 7.104 -6.889 1.00 0.00 C ATOM 1170 O GLU A 115 5.244 7.972 -6.085 1.00 0.00 O ATOM 1171 CB GLU A 115 2.566 6.935 -7.771 1.00 0.00 C ATOM 1172 CG GLU A 115 1.478 7.711 -8.498 1.00 0.00 C ATOM 1173 CD GLU A 115 1.087 8.983 -7.773 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.523 8.885 -6.663 1.00 0.00 O ATOM 1175 OE2 GLU A 115 1.345 10.078 -8.316 1.00 0.00 O ATOM 0 H GLU A 115 3.902 6.162 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 115 3.948 8.528 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.503 5.885 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.382 6.987 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.823 7.960 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.599 7.077 -8.612 1.00 0.00 H new ATOM 1182 N ILE A 116 5.321 5.837 -6.807 1.00 0.00 N ATOM 1183 CA ILE A 116 6.219 5.390 -5.743 1.00 0.00 C ATOM 1184 C ILE A 116 7.519 6.187 -5.785 1.00 0.00 C ATOM 1185 O ILE A 116 7.901 6.817 -4.796 1.00 0.00 O ATOM 1186 CB ILE A 116 6.536 3.879 -5.850 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.255 3.049 -5.724 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.534 3.467 -4.778 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.352 1.681 -6.363 1.00 0.00 C ATOM 0 H ILE A 116 5.049 5.105 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 116 5.709 5.560 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 116 6.977 3.692 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.012 2.931 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.431 3.597 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.745 2.402 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.457 4.032 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.115 3.672 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.408 1.151 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.564 1.790 -7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.154 1.114 -5.889 1.00 0.00 H new ATOM 1201 N ALA A 117 8.182 6.174 -6.944 1.00 0.00 N ATOM 1202 CA ALA A 117 9.426 6.917 -7.131 1.00 0.00 C ATOM 1203 C ALA A 117 9.228 8.381 -6.748 1.00 0.00 C ATOM 1204 O ALA A 117 10.107 9.004 -6.149 1.00 0.00 O ATOM 1205 CB ALA A 117 9.895 6.814 -8.577 1.00 0.00 C ATOM 0 H ALA A 117 7.876 5.655 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 117 10.189 6.483 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.823 7.373 -8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.066 5.768 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.133 7.228 -9.237 1.00 0.00 H new ATOM 1211 N LYS A 118 8.057 8.918 -7.097 1.00 0.00 N ATOM 1212 CA LYS A 118 7.719 10.302 -6.793 1.00 0.00 C ATOM 1213 C LYS A 118 7.560 10.512 -5.297 1.00 0.00 C ATOM 1214 O LYS A 118 8.177 11.409 -4.723 1.00 0.00 O ATOM 1215 CB LYS A 118 6.432 10.705 -7.504 1.00 0.00 C ATOM 1216 CG LYS A 118 6.544 12.045 -8.187 1.00 0.00 C ATOM 1217 CD LYS A 118 6.458 11.897 -9.698 1.00 0.00 C ATOM 1218 CE LYS A 118 6.352 13.249 -10.390 1.00 0.00 C ATOM 1219 NZ LYS A 118 6.113 13.110 -11.853 1.00 0.00 N ATOM 0 H LYS A 118 7.326 8.408 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 118 8.538 10.928 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.175 9.945 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.616 10.736 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.749 12.703 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.489 12.516 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.339 11.369 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.592 11.287 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.540 13.822 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.270 13.814 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.047 14.054 -12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.900 12.585 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.224 12.594 -12.012 1.00 0.00 H new ATOM 1233 N PHE A 119 6.733 9.678 -4.673 1.00 0.00 N ATOM 1234 CA PHE A 119 6.497 9.765 -3.231 1.00 0.00 C ATOM 1235 C PHE A 119 7.825 9.856 -2.485 1.00 0.00 C ATOM 1236 O PHE A 119 7.988 10.679 -1.583 1.00 0.00 O ATOM 1237 CB PHE A 119 5.704 8.542 -2.753 1.00 0.00 C ATOM 1238 CG PHE A 119 5.651 8.374 -1.253 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.763 7.933 -0.549 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.485 8.640 -0.554 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.709 7.762 0.821 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.429 8.472 0.816 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.543 8.032 1.502 1.00 0.00 C ATOM 0 H PHE A 119 6.215 8.934 -5.141 1.00 0.00 H new ATOM 0 HA PHE A 119 5.917 10.664 -3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.685 8.615 -3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.145 7.646 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.681 7.721 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.610 8.983 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.581 7.417 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.515 8.685 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.500 7.899 2.573 1.00 0.00 H new ATOM 1253 N LEU A 120 8.772 9.008 -2.878 1.00 0.00 N ATOM 1254 CA LEU A 120 10.089 8.990 -2.258 1.00 0.00 C ATOM 1255 C LEU A 120 10.860 10.268 -2.580 1.00 0.00 C ATOM 1256 O LEU A 120 11.623 10.768 -1.751 1.00 0.00 O ATOM 1257 CB LEU A 120 10.875 7.773 -2.729 1.00 0.00 C ATOM 1258 CG LEU A 120 10.294 6.432 -2.286 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.347 5.419 -3.423 1.00 0.00 C ATOM 1260 CD2 LEU A 120 11.039 5.911 -1.068 1.00 0.00 C ATOM 0 H LEU A 120 8.649 8.324 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 120 9.956 8.932 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.928 7.790 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.897 7.851 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 120 9.249 6.581 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.928 4.471 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.769 5.791 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.382 5.270 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.614 4.955 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.092 5.778 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.946 6.626 -0.251 1.00 0.00 H new ATOM 1272 N GLY A 121 10.645 10.803 -3.787 1.00 0.00 N ATOM 1273 CA GLY A 121 11.314 12.027 -4.188 1.00 0.00 C ATOM 1274 C GLY A 121 10.575 13.279 -3.732 1.00 0.00 C ATOM 1275 O GLY A 121 10.884 14.381 -4.187 1.00 0.00 O ATOM 0 H GLY A 121 10.020 10.407 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.323 12.036 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.412 12.043 -5.273 1.00 0.00 H new ATOM 1369 N SER A 127 8.833 11.641 5.406 1.00 0.00 N ATOM 1370 CA SER A 127 9.270 11.137 6.706 1.00 0.00 C ATOM 1371 C SER A 127 10.163 9.911 6.537 1.00 0.00 C ATOM 1372 O SER A 127 9.984 9.136 5.599 1.00 0.00 O ATOM 1373 CB SER A 127 8.058 10.783 7.572 1.00 0.00 C ATOM 1374 OG SER A 127 8.393 10.802 8.950 1.00 0.00 O ATOM 0 HA SER A 127 9.844 11.921 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.251 11.491 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.687 9.795 7.298 1.00 0.00 H new ATOM 0 HG SER A 127 7.602 10.574 9.482 1.00 0.00 H new ATOM 1380 N LYS A 128 11.122 9.733 7.447 1.00 0.00 N ATOM 1381 CA LYS A 128 12.036 8.588 7.386 1.00 0.00 C ATOM 1382 C LYS A 128 11.258 7.275 7.341 1.00 0.00 C ATOM 1383 O LYS A 128 11.546 6.405 6.519 1.00 0.00 O ATOM 1384 CB LYS A 128 12.990 8.589 8.585 1.00 0.00 C ATOM 1385 CG LYS A 128 14.259 9.392 8.351 1.00 0.00 C ATOM 1386 CD LYS A 128 15.403 8.509 7.869 1.00 0.00 C ATOM 1387 CE LYS A 128 15.326 8.255 6.370 1.00 0.00 C ATOM 1388 NZ LYS A 128 15.518 9.503 5.575 1.00 0.00 N ATOM 0 H LYS A 128 11.287 10.363 8.232 1.00 0.00 H new ATOM 0 HA LYS A 128 12.623 8.678 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.469 8.993 9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.260 7.561 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.066 10.172 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.549 9.892 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.355 8.983 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.377 7.558 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.086 7.526 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.358 7.817 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.827 9.258 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 14.620 10.026 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.241 10.097 6.030 1.00 0.00 H new ATOM 1402 N GLU A 129 10.263 7.148 8.220 1.00 0.00 N ATOM 1403 CA GLU A 129 9.434 5.947 8.273 1.00 0.00 C ATOM 1404 C GLU A 129 8.597 5.805 7.000 1.00 0.00 C ATOM 1405 O GLU A 129 8.313 4.691 6.560 1.00 0.00 O ATOM 1406 CB GLU A 129 8.515 5.978 9.500 1.00 0.00 C ATOM 1407 CG GLU A 129 9.139 5.372 10.748 1.00 0.00 C ATOM 1408 CD GLU A 129 8.286 5.564 11.992 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.042 5.528 11.878 1.00 0.00 O ATOM 1410 OE2 GLU A 129 8.867 5.752 13.082 1.00 0.00 O ATOM 0 H GLU A 129 10.013 7.862 8.904 1.00 0.00 H new ATOM 0 HA GLU A 129 10.098 5.086 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.237 7.011 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.595 5.441 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.301 4.306 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.118 5.821 10.913 1.00 0.00 H new ATOM 1417 N LEU A 130 8.203 6.938 6.411 1.00 0.00 N ATOM 1418 CA LEU A 130 7.399 6.925 5.191 1.00 0.00 C ATOM 1419 C LEU A 130 8.256 6.610 3.969 1.00 0.00 C ATOM 1420 O LEU A 130 7.887 5.772 3.148 1.00 0.00 O ATOM 1421 CB LEU A 130 6.688 8.270 4.996 1.00 0.00 C ATOM 1422 CG LEU A 130 5.312 8.387 5.660 1.00 0.00 C ATOM 1423 CD1 LEU A 130 5.154 9.745 6.330 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.202 8.163 4.640 1.00 0.00 C ATOM 0 H LEU A 130 8.428 7.870 6.759 1.00 0.00 H new ATOM 0 HA LEU A 130 6.650 6.140 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.329 9.061 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.574 8.450 3.927 1.00 0.00 H new ATOM 0 HG LEU A 130 5.236 7.615 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 130 4.171 9.809 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.925 9.867 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.254 10.533 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.233 8.250 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.277 8.911 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.301 7.167 4.207 1.00 0.00 H new ATOM 1436 N ILE A 131 9.399 7.288 3.847 1.00 0.00 N ATOM 1437 CA ILE A 131 10.294 7.068 2.715 1.00 0.00 C ATOM 1438 C ILE A 131 10.754 5.615 2.663 1.00 0.00 C ATOM 1439 O ILE A 131 10.608 4.946 1.641 1.00 0.00 O ATOM 1440 CB ILE A 131 11.531 7.991 2.764 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.105 9.466 2.795 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.431 7.722 1.567 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.085 10.369 3.517 1.00 0.00 C ATOM 0 H ILE A 131 9.723 7.988 4.514 1.00 0.00 H new ATOM 0 HA ILE A 131 9.725 7.306 1.816 1.00 0.00 H new ATOM 0 HB ILE A 131 12.088 7.778 3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.983 9.821 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.130 9.543 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.300 8.378 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.759 6.683 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.879 7.912 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.717 11.395 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.189 10.040 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.055 10.322 3.022 1.00 0.00 H new ATOM 1455 N GLU A 132 11.297 5.125 3.777 1.00 0.00 N ATOM 1456 CA GLU A 132 11.765 3.745 3.855 1.00 0.00 C ATOM 1457 C GLU A 132 10.644 2.778 3.477 1.00 0.00 C ATOM 1458 O GLU A 132 10.891 1.722 2.892 1.00 0.00 O ATOM 1459 CB GLU A 132 12.275 3.432 5.262 1.00 0.00 C ATOM 1460 CG GLU A 132 13.469 2.492 5.282 1.00 0.00 C ATOM 1461 CD GLU A 132 13.778 1.971 6.672 1.00 0.00 C ATOM 1462 OE1 GLU A 132 12.865 1.409 7.316 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.933 2.127 7.120 1.00 0.00 O ATOM 0 H GLU A 132 11.423 5.663 4.635 1.00 0.00 H new ATOM 0 HA GLU A 132 12.586 3.622 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.549 4.364 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.465 2.990 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.275 1.650 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 132 14.343 3.012 4.891 1.00 0.00 H new ATOM 1470 N ALA A 133 9.407 3.155 3.810 1.00 0.00 N ATOM 1471 CA ALA A 133 8.240 2.334 3.505 1.00 0.00 C ATOM 1472 C ALA A 133 8.024 2.207 2.006 1.00 0.00 C ATOM 1473 O ALA A 133 7.900 1.101 1.481 1.00 0.00 O ATOM 1474 CB ALA A 133 7.002 2.916 4.163 1.00 0.00 C ATOM 0 H ALA A 133 9.191 4.027 4.293 1.00 0.00 H new ATOM 0 HA ALA A 133 8.423 1.336 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.138 2.294 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 133 7.144 2.946 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.833 3.927 3.791 1.00 0.00 H new ATOM 1480 N TYR A 134 7.980 3.345 1.320 1.00 0.00 N ATOM 1481 CA TYR A 134 7.782 3.352 -0.128 1.00 0.00 C ATOM 1482 C TYR A 134 8.980 2.724 -0.836 1.00 0.00 C ATOM 1483 O TYR A 134 8.829 2.071 -1.868 1.00 0.00 O ATOM 1484 CB TYR A 134 7.548 4.774 -0.639 1.00 0.00 C ATOM 1485 CG TYR A 134 6.109 5.052 -1.017 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.108 5.087 -0.051 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.751 5.286 -2.337 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.796 5.352 -0.392 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.442 5.554 -2.686 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.468 5.586 -1.710 1.00 0.00 C ATOM 1491 OH TYR A 134 2.162 5.858 -2.052 1.00 0.00 O ATOM 0 H TYR A 134 8.078 4.270 1.739 1.00 0.00 H new ATOM 0 HA TYR A 134 6.896 2.758 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.857 5.483 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.183 4.948 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.361 4.904 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.510 5.258 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.031 5.376 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.182 5.738 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 134 2.100 6.000 -3.020 1.00 0.00 H new ATOM 1501 N GLU A 135 10.168 2.907 -0.258 1.00 0.00 N ATOM 1502 CA GLU A 135 11.391 2.335 -0.812 1.00 0.00 C ATOM 1503 C GLU A 135 11.321 0.809 -0.767 1.00 0.00 C ATOM 1504 O GLU A 135 11.854 0.129 -1.646 1.00 0.00 O ATOM 1505 CB GLU A 135 12.610 2.828 -0.028 1.00 0.00 C ATOM 1506 CG GLU A 135 13.942 2.394 -0.628 1.00 0.00 C ATOM 1507 CD GLU A 135 15.034 2.206 0.413 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.719 1.777 1.545 1.00 0.00 O ATOM 1509 OE2 GLU A 135 16.207 2.485 0.091 1.00 0.00 O ATOM 0 H GLU A 135 10.307 3.448 0.595 1.00 0.00 H new ATOM 0 HA GLU A 135 11.490 2.655 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.582 3.916 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.546 2.459 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.801 1.459 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.266 3.139 -1.355 1.00 0.00 H new ATOM 1516 N ALA A 136 10.648 0.279 0.259 1.00 0.00 N ATOM 1517 CA ALA A 136 10.493 -1.166 0.416 1.00 0.00 C ATOM 1518 C ALA A 136 9.580 -1.745 -0.668 1.00 0.00 C ATOM 1519 O ALA A 136 9.791 -2.865 -1.135 1.00 0.00 O ATOM 1520 CB ALA A 136 9.948 -1.497 1.798 1.00 0.00 C ATOM 0 H ALA A 136 10.203 0.831 0.992 1.00 0.00 H new ATOM 0 HA ALA A 136 11.477 -1.622 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.839 -2.577 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.638 -1.131 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.976 -1.021 1.930 1.00 0.00 H new ATOM 1526 N SER A 137 8.564 -0.970 -1.066 1.00 0.00 N ATOM 1527 CA SER A 137 7.618 -1.407 -2.097 1.00 0.00 C ATOM 1528 C SER A 137 8.201 -1.247 -3.510 1.00 0.00 C ATOM 1529 O SER A 137 7.725 -1.879 -4.456 1.00 0.00 O ATOM 1530 CB SER A 137 6.299 -0.630 -1.979 1.00 0.00 C ATOM 1531 OG SER A 137 6.465 0.735 -2.326 1.00 0.00 O ATOM 0 H SER A 137 8.377 -0.040 -0.691 1.00 0.00 H new ATOM 0 HA SER A 137 7.425 -2.467 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.550 -1.083 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.923 -0.704 -0.959 1.00 0.00 H new ATOM 0 HG SER A 137 7.369 1.027 -2.084 1.00 0.00 H new ATOM 1537 N LYS A 138 9.230 -0.399 -3.649 1.00 0.00 N ATOM 1538 CA LYS A 138 9.872 -0.156 -4.946 1.00 0.00 C ATOM 1539 C LYS A 138 10.383 -1.449 -5.593 1.00 0.00 C ATOM 1540 O LYS A 138 10.557 -1.505 -6.811 1.00 0.00 O ATOM 1541 CB LYS A 138 11.035 0.837 -4.789 1.00 0.00 C ATOM 1542 CG LYS A 138 10.590 2.281 -4.611 1.00 0.00 C ATOM 1543 CD LYS A 138 10.705 3.071 -5.911 1.00 0.00 C ATOM 1544 CE LYS A 138 9.805 2.501 -7.000 1.00 0.00 C ATOM 1545 NZ LYS A 138 10.523 1.533 -7.881 1.00 0.00 N ATOM 0 H LYS A 138 9.635 0.130 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 138 9.112 0.267 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 138 11.637 0.544 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.678 0.770 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.558 2.303 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.197 2.757 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.440 4.112 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.740 3.061 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 138 8.951 2.005 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.411 3.317 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 10.066 1.508 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.514 1.830 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.490 0.585 -7.454 1.00 0.00 H new ATOM 1559 N THR A 139 10.629 -2.480 -4.779 1.00 0.00 N ATOM 1560 CA THR A 139 11.126 -3.765 -5.281 1.00 0.00 C ATOM 1561 C THR A 139 9.988 -4.767 -5.478 1.00 0.00 C ATOM 1562 O THR A 139 9.517 -5.373 -4.512 1.00 0.00 O ATOM 1563 CB THR A 139 12.166 -4.357 -4.320 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.932 -3.930 -2.989 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.595 -3.994 -4.673 1.00 0.00 C ATOM 0 H THR A 139 10.492 -2.450 -3.769 1.00 0.00 H new ATOM 0 HA THR A 139 11.593 -3.575 -6.248 1.00 0.00 H new ATOM 0 HB THR A 139 12.050 -5.437 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 139 10.985 -4.053 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 139 14.274 -4.447 -3.951 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.828 -4.363 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.711 -2.910 -4.650 1.00 0.00 H new