USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 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 Set 1.1: A 106 ASN : amide:sc= -2.04 K(o=-2.7,f=-5!) USER MOD Set 1.2: A 107 SER OG : rot -69:sc= -0.696 USER MOD Single : A 51 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,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= -0.232 K(o=-0.23,f=-3.8!) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.486 (180deg=-0.679) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -23:sc= -2.01! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -28:sc= 0.163 USER MOD Single : A 138 LYS NZ :NH3+ -136:sc= 0.708 (180deg=-0.698) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.214 -6.011 -8.869 1.00 0.00 N ATOM 92 CA ASN A 51 -4.945 -7.412 -9.211 1.00 0.00 C ATOM 93 C ASN A 51 -4.022 -8.068 -8.177 1.00 0.00 C ATOM 94 O ASN A 51 -3.592 -7.423 -7.220 1.00 0.00 O ATOM 95 CB ASN A 51 -4.321 -7.511 -10.612 1.00 0.00 C ATOM 96 CG ASN A 51 -5.293 -8.046 -11.653 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.496 -7.432 -12.700 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.895 -9.199 -11.376 1.00 0.00 N ATOM 0 HA ASN A 51 -5.896 -7.945 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.972 -6.525 -10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.446 -8.160 -10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.552 -9.605 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.700 -9.678 -10.497 1.00 0.00 H new ATOM 105 N PHE A 52 -3.726 -9.357 -8.379 1.00 0.00 N ATOM 106 CA PHE A 52 -2.859 -10.107 -7.463 1.00 0.00 C ATOM 107 C PHE A 52 -1.396 -9.712 -7.640 1.00 0.00 C ATOM 108 O PHE A 52 -0.903 -9.603 -8.765 1.00 0.00 O ATOM 109 CB PHE A 52 -3.012 -11.618 -7.682 1.00 0.00 C ATOM 110 CG PHE A 52 -4.416 -12.124 -7.481 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.153 -11.742 -6.371 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.998 -12.979 -8.404 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.441 -12.200 -6.186 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.288 -13.441 -8.223 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.011 -13.051 -7.114 1.00 0.00 C ATOM 0 H PHE A 52 -4.074 -9.902 -9.168 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.168 -9.860 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.689 -11.863 -8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.345 -12.144 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.713 -11.078 -5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.437 -13.287 -9.274 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.004 -11.894 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.730 -14.107 -8.949 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.020 -13.410 -6.972 1.00 0.00 H new ATOM 125 N GLY A 53 -0.705 -9.504 -6.517 1.00 0.00 N ATOM 126 CA GLY A 53 0.698 -9.126 -6.557 1.00 0.00 C ATOM 127 C GLY A 53 0.916 -7.774 -7.210 1.00 0.00 C ATOM 128 O GLY A 53 1.787 -7.628 -8.071 1.00 0.00 O ATOM 0 H GLY A 53 -1.096 -9.592 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.094 -9.104 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.260 -9.884 -7.102 1.00 0.00 H new ATOM 132 N ASP A 54 0.121 -6.782 -6.802 1.00 0.00 N ATOM 133 CA ASP A 54 0.222 -5.436 -7.350 1.00 0.00 C ATOM 134 C ASP A 54 0.291 -4.398 -6.233 1.00 0.00 C ATOM 135 O ASP A 54 -0.459 -4.471 -5.257 1.00 0.00 O ATOM 136 CB ASP A 54 -0.974 -5.145 -8.262 1.00 0.00 C ATOM 137 CG ASP A 54 -0.672 -4.082 -9.302 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.400 -4.160 -9.938 1.00 0.00 O ATOM 139 OD2 ASP A 54 -1.508 -3.172 -9.482 1.00 0.00 O ATOM 0 H ASP A 54 -0.602 -6.891 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 54 1.140 -5.374 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.275 -6.064 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.819 -4.823 -7.654 1.00 0.00 H new ATOM 144 N ARG A 55 1.194 -3.431 -6.388 1.00 0.00 N ATOM 145 CA ARG A 55 1.366 -2.366 -5.401 1.00 0.00 C ATOM 146 C ARG A 55 0.091 -1.544 -5.273 1.00 0.00 C ATOM 147 O ARG A 55 -0.377 -0.957 -6.248 1.00 0.00 O ATOM 148 CB ARG A 55 2.534 -1.455 -5.790 1.00 0.00 C ATOM 149 CG ARG A 55 3.888 -1.967 -5.323 1.00 0.00 C ATOM 150 CD ARG A 55 4.499 -2.925 -6.330 1.00 0.00 C ATOM 151 NE ARG A 55 4.947 -2.242 -7.544 1.00 0.00 N ATOM 152 CZ ARG A 55 5.326 -2.873 -8.656 1.00 0.00 C ATOM 153 NH1 ARG A 55 5.319 -4.202 -8.713 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.718 -2.173 -9.715 1.00 0.00 N ATOM 0 H ARG A 55 1.820 -3.363 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 55 1.585 -2.829 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.551 -1.344 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.366 -0.463 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.562 -1.125 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.776 -2.470 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.344 -3.440 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.766 -3.687 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 55 4.971 -1.222 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.022 -4.746 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.610 -4.677 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.729 -1.154 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.008 -2.655 -10.566 1.00 0.00 H new ATOM 168 N ILE A 56 -0.470 -1.508 -4.066 1.00 0.00 N ATOM 169 CA ILE A 56 -1.695 -0.752 -3.816 1.00 0.00 C ATOM 170 C ILE A 56 -1.614 0.008 -2.496 1.00 0.00 C ATOM 171 O ILE A 56 -0.949 -0.428 -1.556 1.00 0.00 O ATOM 172 CB ILE A 56 -2.940 -1.665 -3.809 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.818 -2.748 -2.732 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.151 -2.297 -5.180 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.107 -3.505 -2.497 1.00 0.00 C ATOM 0 H ILE A 56 -0.097 -1.992 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.795 -0.038 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.809 -1.049 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.038 -3.453 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.500 -2.287 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.033 -2.937 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.293 -1.513 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.278 -2.894 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.952 -4.257 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.884 -2.810 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.415 -3.994 -3.421 1.00 0.00 H new ATOM 187 N LEU A 57 -2.299 1.147 -2.430 1.00 0.00 N ATOM 188 CA LEU A 57 -2.307 1.967 -1.225 1.00 0.00 C ATOM 189 C LEU A 57 -3.499 1.611 -0.348 1.00 0.00 C ATOM 190 O LEU A 57 -4.545 1.203 -0.849 1.00 0.00 O ATOM 191 CB LEU A 57 -2.346 3.452 -1.592 1.00 0.00 C ATOM 192 CG LEU A 57 -1.631 4.384 -0.610 1.00 0.00 C ATOM 193 CD1 LEU A 57 -0.128 4.147 -0.642 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.950 5.837 -0.924 1.00 0.00 C ATOM 0 H LEU A 57 -2.856 1.522 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.392 1.769 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.900 3.578 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.388 3.763 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.990 4.163 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.361 4.819 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.083 3.114 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.249 4.338 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.433 6.484 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.621 6.071 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.025 5.999 -0.845 1.00 0.00 H new ATOM 206 N VAL A 58 -3.336 1.755 0.962 1.00 0.00 N ATOM 207 CA VAL A 58 -4.405 1.434 1.901 1.00 0.00 C ATOM 208 C VAL A 58 -4.351 2.342 3.129 1.00 0.00 C ATOM 209 O VAL A 58 -3.270 2.675 3.619 1.00 0.00 O ATOM 210 CB VAL A 58 -4.323 -0.044 2.347 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.958 -0.353 2.945 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.435 -0.382 3.331 1.00 0.00 C ATOM 0 H VAL A 58 -2.477 2.091 1.397 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.351 1.597 1.385 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.457 -0.669 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.923 -1.398 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.184 -0.168 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.788 0.285 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.353 -1.428 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.347 0.253 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.403 -0.214 2.858 1.00 0.00 H new ATOM 222 N LYS A 59 -5.523 2.731 3.624 1.00 0.00 N ATOM 223 CA LYS A 59 -5.616 3.591 4.799 1.00 0.00 C ATOM 224 C LYS A 59 -6.389 2.894 5.918 1.00 0.00 C ATOM 225 O LYS A 59 -7.428 2.277 5.674 1.00 0.00 O ATOM 226 CB LYS A 59 -6.289 4.922 4.445 1.00 0.00 C ATOM 227 CG LYS A 59 -7.684 4.774 3.852 1.00 0.00 C ATOM 228 CD LYS A 59 -8.764 5.099 4.873 1.00 0.00 C ATOM 229 CE LYS A 59 -9.892 5.910 4.256 1.00 0.00 C ATOM 230 NZ LYS A 59 -11.152 5.810 5.045 1.00 0.00 N ATOM 0 H LYS A 59 -6.424 2.463 3.228 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.604 3.795 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.351 5.536 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.659 5.458 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.786 5.435 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.820 3.755 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.165 4.174 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.326 5.655 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.590 6.955 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.073 5.562 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.894 6.378 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.455 4.816 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.988 6.166 6.008 1.00 0.00 H new ATOM 244 N ALA A 60 -5.881 3.005 7.144 1.00 0.00 N ATOM 245 CA ALA A 60 -6.531 2.391 8.300 1.00 0.00 C ATOM 246 C ALA A 60 -7.502 3.370 8.954 1.00 0.00 C ATOM 247 O ALA A 60 -7.305 4.582 8.884 1.00 0.00 O ATOM 248 CB ALA A 60 -5.489 1.922 9.308 1.00 0.00 C ATOM 0 H ALA A 60 -5.024 3.513 7.362 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.097 1.525 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.989 1.467 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.833 1.189 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.899 2.774 9.644 1.00 0.00 H new ATOM 254 N PRO A 61 -8.570 2.857 9.602 1.00 0.00 N ATOM 255 CA PRO A 61 -9.571 3.701 10.270 1.00 0.00 C ATOM 256 C PRO A 61 -8.931 4.671 11.264 1.00 0.00 C ATOM 257 O PRO A 61 -8.601 4.293 12.391 1.00 0.00 O ATOM 258 CB PRO A 61 -10.466 2.692 10.994 1.00 0.00 C ATOM 259 CG PRO A 61 -10.307 1.426 10.227 1.00 0.00 C ATOM 260 CD PRO A 61 -8.887 1.422 9.735 1.00 0.00 C ATOM 0 HA PRO A 61 -10.113 4.332 9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.161 2.566 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.505 3.021 11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.505 0.559 10.857 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.010 1.382 9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.219 0.926 10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.792 0.899 8.783 1.00 0.00 H new ATOM 268 N GLY A 62 -8.740 5.915 10.827 1.00 0.00 N ATOM 269 CA GLY A 62 -8.122 6.922 11.676 1.00 0.00 C ATOM 270 C GLY A 62 -6.693 7.244 11.260 1.00 0.00 C ATOM 271 O GLY A 62 -6.205 8.346 11.515 1.00 0.00 O ATOM 0 H GLY A 62 -9.003 6.244 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.719 7.833 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.126 6.573 12.709 1.00 0.00 H new ATOM 275 N TYR A 63 -6.024 6.281 10.622 1.00 0.00 N ATOM 276 CA TYR A 63 -4.645 6.464 10.173 1.00 0.00 C ATOM 277 C TYR A 63 -4.591 6.809 8.682 1.00 0.00 C ATOM 278 O TYR A 63 -5.509 6.482 7.926 1.00 0.00 O ATOM 279 CB TYR A 63 -3.830 5.195 10.443 1.00 0.00 C ATOM 280 CG TYR A 63 -3.652 4.874 11.913 1.00 0.00 C ATOM 281 CD1 TYR A 63 -4.691 4.323 12.655 1.00 0.00 C ATOM 282 CD2 TYR A 63 -2.445 5.118 12.555 1.00 0.00 C ATOM 283 CE1 TYR A 63 -4.530 4.024 13.997 1.00 0.00 C ATOM 284 CE2 TYR A 63 -2.275 4.819 13.894 1.00 0.00 C ATOM 285 CZ TYR A 63 -3.320 4.274 14.611 1.00 0.00 C ATOM 286 OH TYR A 63 -3.154 3.975 15.944 1.00 0.00 O ATOM 0 H TYR A 63 -6.417 5.365 10.405 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.216 7.295 10.733 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.319 4.352 9.955 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.847 5.303 9.984 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.639 4.125 12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.625 5.549 11.999 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.347 3.597 14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.328 5.011 14.377 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.244 4.211 16.221 1.00 0.00 H new ATOM 296 N PRO A 64 -3.507 7.480 8.235 1.00 0.00 N ATOM 297 CA PRO A 64 -3.340 7.870 6.828 1.00 0.00 C ATOM 298 C PRO A 64 -3.053 6.678 5.909 1.00 0.00 C ATOM 299 O PRO A 64 -2.998 5.532 6.360 1.00 0.00 O ATOM 300 CB PRO A 64 -2.138 8.820 6.864 1.00 0.00 C ATOM 301 CG PRO A 64 -1.359 8.402 8.063 1.00 0.00 C ATOM 302 CD PRO A 64 -2.365 7.914 9.068 1.00 0.00 C ATOM 0 HA PRO A 64 -4.248 8.318 6.425 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.541 8.737 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.457 9.859 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.648 7.615 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.783 9.236 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.969 7.092 9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.653 8.703 9.763 1.00 0.00 H new ATOM 310 N TRP A 65 -2.872 6.962 4.618 1.00 0.00 N ATOM 311 CA TRP A 65 -2.590 5.921 3.630 1.00 0.00 C ATOM 312 C TRP A 65 -1.141 5.442 3.744 1.00 0.00 C ATOM 313 O TRP A 65 -0.267 6.186 4.192 1.00 0.00 O ATOM 314 CB TRP A 65 -2.848 6.434 2.210 1.00 0.00 C ATOM 315 CG TRP A 65 -4.240 6.952 1.992 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.721 8.180 2.347 1.00 0.00 C ATOM 317 CD2 TRP A 65 -5.327 6.260 1.366 1.00 0.00 C ATOM 318 NE1 TRP A 65 -6.041 8.292 1.983 1.00 0.00 N ATOM 319 CE2 TRP A 65 -6.437 7.128 1.380 1.00 0.00 C ATOM 320 CE3 TRP A 65 -5.472 4.992 0.795 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.672 6.767 0.845 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.699 4.635 0.266 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.784 5.520 0.294 1.00 0.00 C ATOM 0 H TRP A 65 -2.916 7.905 4.233 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.258 5.084 3.832 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.136 7.229 1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.657 5.627 1.503 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.148 8.950 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.631 9.110 2.137 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.640 4.303 0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.511 7.447 0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.822 3.657 -0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.729 5.211 -0.128 1.00 0.00 H new ATOM 334 N TRP A 66 -0.896 4.196 3.338 1.00 0.00 N ATOM 335 CA TRP A 66 0.445 3.618 3.399 1.00 0.00 C ATOM 336 C TRP A 66 0.687 2.655 2.232 1.00 0.00 C ATOM 337 O TRP A 66 -0.227 1.942 1.809 1.00 0.00 O ATOM 338 CB TRP A 66 0.634 2.887 4.729 1.00 0.00 C ATOM 339 CG TRP A 66 2.051 2.890 5.213 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.878 1.812 5.317 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.810 4.024 5.649 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.104 2.204 5.794 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.088 3.557 6.004 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.535 5.389 5.774 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.086 4.402 6.475 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.529 6.228 6.240 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.792 5.731 6.584 1.00 0.00 C ATOM 0 H TRP A 66 -1.608 3.569 2.964 1.00 0.00 H new ATOM 0 HA TRP A 66 1.170 4.428 3.323 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.001 3.351 5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.297 1.856 4.620 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.608 0.798 5.062 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.898 1.587 5.964 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.563 5.781 5.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.060 4.021 6.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.328 7.284 6.341 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.549 6.413 6.943 1.00 0.00 H new ATOM 358 N PRO A 67 1.927 2.622 1.693 1.00 0.00 N ATOM 359 CA PRO A 67 2.286 1.745 0.568 1.00 0.00 C ATOM 360 C PRO A 67 2.239 0.265 0.941 1.00 0.00 C ATOM 361 O PRO A 67 3.092 -0.228 1.683 1.00 0.00 O ATOM 362 CB PRO A 67 3.721 2.164 0.227 1.00 0.00 C ATOM 363 CG PRO A 67 4.247 2.763 1.483 1.00 0.00 C ATOM 364 CD PRO A 67 3.074 3.441 2.133 1.00 0.00 C ATOM 0 HA PRO A 67 1.588 1.850 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.320 1.308 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.740 2.882 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.668 1.998 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.044 3.476 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.167 3.454 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.977 4.477 1.809 1.00 0.00 H new ATOM 372 N ALA A 68 1.240 -0.441 0.412 1.00 0.00 N ATOM 373 CA ALA A 68 1.083 -1.868 0.676 1.00 0.00 C ATOM 374 C ALA A 68 1.083 -2.661 -0.629 1.00 0.00 C ATOM 375 O ALA A 68 1.105 -2.083 -1.719 1.00 0.00 O ATOM 376 CB ALA A 68 -0.197 -2.123 1.462 1.00 0.00 C ATOM 0 H ALA A 68 0.528 -0.046 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 68 1.929 -2.204 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.301 -3.191 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.154 -1.589 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.053 -1.772 0.887 1.00 0.00 H new ATOM 382 N LEU A 69 1.066 -3.984 -0.519 1.00 0.00 N ATOM 383 CA LEU A 69 1.066 -4.846 -1.700 1.00 0.00 C ATOM 384 C LEU A 69 -0.039 -5.894 -1.614 1.00 0.00 C ATOM 385 O LEU A 69 -0.070 -6.702 -0.685 1.00 0.00 O ATOM 386 CB LEU A 69 2.430 -5.521 -1.868 1.00 0.00 C ATOM 387 CG LEU A 69 3.151 -5.198 -3.179 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.650 -5.410 -3.032 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.597 -6.045 -4.316 1.00 0.00 C ATOM 0 H LEU A 69 1.052 -4.484 0.370 1.00 0.00 H new ATOM 0 HA LEU A 69 0.873 -4.223 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.070 -5.227 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.296 -6.601 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 69 2.977 -4.149 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.145 -5.175 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.035 -4.758 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.846 -6.449 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.122 -5.802 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.739 -7.101 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.533 -5.840 -4.438 1.00 0.00 H new ATOM 401 N LEU A 70 -0.949 -5.871 -2.590 1.00 0.00 N ATOM 402 CA LEU A 70 -2.067 -6.812 -2.630 1.00 0.00 C ATOM 403 C LEU A 70 -1.581 -8.251 -2.795 1.00 0.00 C ATOM 404 O LEU A 70 -0.770 -8.545 -3.675 1.00 0.00 O ATOM 405 CB LEU A 70 -3.023 -6.457 -3.773 1.00 0.00 C ATOM 406 CG LEU A 70 -4.499 -6.753 -3.499 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.381 -6.109 -4.560 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.737 -8.255 -3.440 1.00 0.00 C ATOM 0 H LEU A 70 -0.932 -5.208 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.595 -6.736 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.917 -5.396 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.718 -7.005 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.763 -6.325 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.427 -6.331 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.230 -5.029 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.118 -6.505 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.792 -8.449 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.456 -8.706 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.134 -8.688 -2.641 1.00 0.00 H new ATOM 420 N LEU A 71 -2.089 -9.142 -1.943 1.00 0.00 N ATOM 421 CA LEU A 71 -1.719 -10.554 -1.990 1.00 0.00 C ATOM 422 C LEU A 71 -2.838 -11.396 -2.607 1.00 0.00 C ATOM 423 O LEU A 71 -2.617 -12.100 -3.592 1.00 0.00 O ATOM 424 CB LEU A 71 -1.386 -11.072 -0.585 1.00 0.00 C ATOM 425 CG LEU A 71 -0.390 -10.218 0.209 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.346 -10.661 1.665 1.00 0.00 C ATOM 427 CD2 LEU A 71 0.995 -10.290 -0.417 1.00 0.00 C ATOM 0 H LEU A 71 -2.760 -8.908 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.833 -10.645 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.312 -11.146 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.984 -12.081 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.725 -9.181 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.366 -10.043 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.336 -10.553 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.037 -11.705 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.688 -9.678 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.340 -11.324 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.951 -9.920 -1.441 1.00 0.00 H new ATOM 439 N ARG A 72 -4.038 -11.325 -2.021 1.00 0.00 N ATOM 440 CA ARG A 72 -5.181 -12.090 -2.522 1.00 0.00 C ATOM 441 C ARG A 72 -6.512 -11.520 -2.029 1.00 0.00 C ATOM 442 O ARG A 72 -6.560 -10.776 -1.047 1.00 0.00 O ATOM 443 CB ARG A 72 -5.060 -13.559 -2.099 1.00 0.00 C ATOM 444 CG ARG A 72 -5.012 -14.529 -3.269 1.00 0.00 C ATOM 445 CD ARG A 72 -5.785 -15.806 -2.974 1.00 0.00 C ATOM 446 NE ARG A 72 -5.974 -16.620 -4.174 1.00 0.00 N ATOM 447 CZ ARG A 72 -6.895 -16.369 -5.108 1.00 0.00 C ATOM 448 NH1 ARG A 72 -7.712 -15.325 -4.988 1.00 0.00 N ATOM 449 NH2 ARG A 72 -6.995 -17.163 -6.169 1.00 0.00 N ATOM 0 H ARG A 72 -4.241 -10.749 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.169 -12.018 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.158 -13.682 -1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.905 -13.815 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.426 -14.050 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.975 -14.776 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.252 -16.387 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.757 -15.552 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.366 -17.428 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.637 -14.709 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.413 -15.141 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.369 -17.962 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.698 -16.973 -6.884 1.00 0.00 H new ATOM 463 N ARG A 73 -7.594 -11.897 -2.718 1.00 0.00 N ATOM 464 CA ARG A 73 -8.936 -11.448 -2.358 1.00 0.00 C ATOM 465 C ARG A 73 -9.659 -12.535 -1.563 1.00 0.00 C ATOM 466 O ARG A 73 -10.064 -13.558 -2.119 1.00 0.00 O ATOM 467 CB ARG A 73 -9.747 -11.072 -3.610 1.00 0.00 C ATOM 468 CG ARG A 73 -9.805 -12.162 -4.674 1.00 0.00 C ATOM 469 CD ARG A 73 -10.443 -11.655 -5.959 1.00 0.00 C ATOM 470 NE ARG A 73 -10.693 -12.735 -6.914 1.00 0.00 N ATOM 471 CZ ARG A 73 -11.723 -13.583 -6.834 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.603 -13.484 -5.838 1.00 0.00 N ATOM 473 NH2 ARG A 73 -11.875 -14.531 -7.751 1.00 0.00 N ATOM 0 H ARG A 73 -7.563 -12.514 -3.530 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.843 -10.557 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.764 -10.822 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.316 -10.173 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.797 -12.521 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.373 -13.012 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.383 -11.155 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.792 -10.910 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.040 -12.848 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.493 -12.758 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.387 -14.135 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.206 -14.612 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.661 -15.178 -7.690 1.00 0.00 H new ATOM 487 N LYS A 74 -9.803 -12.311 -0.258 1.00 0.00 N ATOM 488 CA LYS A 74 -10.469 -13.276 0.616 1.00 0.00 C ATOM 489 C LYS A 74 -11.908 -12.860 0.902 1.00 0.00 C ATOM 490 O LYS A 74 -12.154 -11.853 1.572 1.00 0.00 O ATOM 491 CB LYS A 74 -9.699 -13.444 1.934 1.00 0.00 C ATOM 492 CG LYS A 74 -9.127 -12.151 2.493 1.00 0.00 C ATOM 493 CD LYS A 74 -8.769 -12.295 3.966 1.00 0.00 C ATOM 494 CE LYS A 74 -9.461 -11.243 4.822 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.514 -11.830 5.697 1.00 0.00 N ATOM 0 H LYS A 74 -9.469 -11.472 0.217 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.484 -14.233 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.365 -13.884 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.884 -14.151 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.239 -11.869 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.852 -11.347 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.051 -13.289 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.689 -12.210 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.720 -10.735 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.908 -10.488 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.957 -11.076 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.236 -12.292 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.085 -12.532 6.334 1.00 0.00 H new ATOM 509 N GLU A 75 -12.856 -13.644 0.389 1.00 0.00 N ATOM 510 CA GLU A 75 -14.276 -13.367 0.586 1.00 0.00 C ATOM 511 C GLU A 75 -14.805 -14.102 1.816 1.00 0.00 C ATOM 512 O GLU A 75 -15.013 -15.317 1.782 1.00 0.00 O ATOM 513 CB GLU A 75 -15.077 -13.770 -0.654 1.00 0.00 C ATOM 514 CG GLU A 75 -15.966 -12.656 -1.185 1.00 0.00 C ATOM 515 CD GLU A 75 -17.089 -13.160 -2.077 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.583 -14.284 -1.845 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.477 -12.424 -3.007 1.00 0.00 O ATOM 0 H GLU A 75 -12.664 -14.477 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.394 -12.295 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.387 -14.080 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.695 -14.635 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.395 -12.111 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.355 -11.948 -1.746 1.00 0.00 H new ATOM 524 N THR A 76 -15.016 -13.359 2.901 1.00 0.00 N ATOM 525 CA THR A 76 -15.516 -13.943 4.143 1.00 0.00 C ATOM 526 C THR A 76 -16.753 -13.195 4.638 1.00 0.00 C ATOM 527 O THR A 76 -16.746 -11.969 4.737 1.00 0.00 O ATOM 528 CB THR A 76 -14.414 -13.926 5.212 1.00 0.00 C ATOM 529 OG1 THR A 76 -14.841 -14.594 6.386 1.00 0.00 O ATOM 530 CG2 THR A 76 -13.977 -12.531 5.609 1.00 0.00 C ATOM 0 H THR A 76 -14.849 -12.354 2.945 1.00 0.00 H new ATOM 0 HA THR A 76 -15.803 -14.976 3.948 1.00 0.00 H new ATOM 0 HB THR A 76 -13.566 -14.435 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.124 -14.573 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.197 -12.596 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.590 -12.008 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.829 -11.983 6.011 1.00 0.00 H new ATOM 666 N PHE A 86 -21.855 -10.595 2.824 1.00 0.00 N ATOM 667 CA PHE A 86 -20.462 -10.989 2.648 1.00 0.00 C ATOM 668 C PHE A 86 -19.523 -9.841 3.007 1.00 0.00 C ATOM 669 O PHE A 86 -19.897 -8.670 2.921 1.00 0.00 O ATOM 670 CB PHE A 86 -20.210 -11.428 1.202 1.00 0.00 C ATOM 671 CG PHE A 86 -19.878 -12.887 1.057 1.00 0.00 C ATOM 672 CD1 PHE A 86 -18.688 -13.396 1.556 1.00 0.00 C ATOM 673 CD2 PHE A 86 -20.755 -13.747 0.417 1.00 0.00 C ATOM 674 CE1 PHE A 86 -18.381 -14.736 1.417 1.00 0.00 C ATOM 675 CE2 PHE A 86 -20.452 -15.087 0.276 1.00 0.00 C ATOM 676 CZ PHE A 86 -19.265 -15.583 0.776 1.00 0.00 C ATOM 0 HA PHE A 86 -20.262 -11.826 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.095 -11.206 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.392 -10.837 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.994 -12.738 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -21.686 -13.366 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -17.451 -15.121 1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.144 -15.747 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 86 -19.028 -16.631 0.667 1.00 0.00 H new ATOM 686 N ASN A 87 -18.297 -10.188 3.395 1.00 0.00 N ATOM 687 CA ASN A 87 -17.294 -9.192 3.753 1.00 0.00 C ATOM 688 C ASN A 87 -15.965 -9.520 3.084 1.00 0.00 C ATOM 689 O ASN A 87 -15.072 -10.112 3.695 1.00 0.00 O ATOM 690 CB ASN A 87 -17.120 -9.132 5.275 1.00 0.00 C ATOM 691 CG ASN A 87 -17.888 -7.986 5.905 1.00 0.00 C ATOM 692 OD1 ASN A 87 -17.309 -6.964 6.270 1.00 0.00 O ATOM 693 ND2 ASN A 87 -19.201 -8.151 6.035 1.00 0.00 N ATOM 0 H ASN A 87 -17.976 -11.153 3.469 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.632 -8.217 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.454 -10.073 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.061 -9.029 5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -19.769 -7.413 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.640 -9.015 5.718 1.00 0.00 H new ATOM 700 N VAL A 88 -15.843 -9.129 1.822 1.00 0.00 N ATOM 701 CA VAL A 88 -14.626 -9.379 1.059 1.00 0.00 C ATOM 702 C VAL A 88 -13.584 -8.296 1.322 1.00 0.00 C ATOM 703 O VAL A 88 -13.903 -7.105 1.358 1.00 0.00 O ATOM 704 CB VAL A 88 -14.909 -9.469 -0.457 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.650 -8.231 -0.952 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.618 -9.679 -1.239 1.00 0.00 C ATOM 0 H VAL A 88 -16.572 -8.637 1.305 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.235 -10.340 1.393 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.552 -10.333 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.836 -8.322 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.600 -8.141 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.044 -7.345 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.843 -9.739 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.943 -8.843 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.143 -10.605 -0.916 1.00 0.00 H new ATOM 716 N LEU A 89 -12.337 -8.721 1.502 1.00 0.00 N ATOM 717 CA LEU A 89 -11.236 -7.797 1.759 1.00 0.00 C ATOM 718 C LEU A 89 -10.026 -8.126 0.888 1.00 0.00 C ATOM 719 O LEU A 89 -10.018 -9.121 0.161 1.00 0.00 O ATOM 720 CB LEU A 89 -10.820 -7.839 3.234 1.00 0.00 C ATOM 721 CG LEU A 89 -11.961 -7.750 4.251 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.423 -7.946 5.662 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.685 -6.415 4.129 1.00 0.00 C ATOM 0 H LEU A 89 -12.063 -9.703 1.475 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.590 -6.796 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.272 -8.764 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.128 -7.018 3.420 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.678 -8.543 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.243 -7.881 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.952 -8.926 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.688 -7.172 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.492 -6.371 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.983 -5.602 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.098 -6.316 3.125 1.00 0.00 H new ATOM 735 N TYR A 90 -9.002 -7.281 0.978 1.00 0.00 N ATOM 736 CA TYR A 90 -7.778 -7.468 0.214 1.00 0.00 C ATOM 737 C TYR A 90 -6.581 -7.656 1.142 1.00 0.00 C ATOM 738 O TYR A 90 -6.164 -6.717 1.820 1.00 0.00 O ATOM 739 CB TYR A 90 -7.539 -6.264 -0.700 1.00 0.00 C ATOM 740 CG TYR A 90 -8.012 -6.485 -2.116 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.818 -7.707 -2.745 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.656 -5.478 -2.822 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.249 -7.921 -4.036 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.092 -5.684 -4.115 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.886 -6.907 -4.718 1.00 0.00 C ATOM 746 OH TYR A 90 -9.319 -7.116 -6.008 1.00 0.00 O ATOM 0 H TYR A 90 -8.999 -6.456 1.577 1.00 0.00 H new ATOM 0 HA TYR A 90 -7.890 -8.366 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.050 -5.395 -0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.474 -6.032 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.320 -8.504 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.818 -4.519 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.089 -8.878 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.592 -4.891 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.749 -6.302 -6.345 1.00 0.00 H new ATOM 756 N LYS A 91 -6.027 -8.869 1.159 1.00 0.00 N ATOM 757 CA LYS A 91 -4.868 -9.166 1.997 1.00 0.00 C ATOM 758 C LYS A 91 -3.639 -8.434 1.459 1.00 0.00 C ATOM 759 O LYS A 91 -2.977 -8.916 0.543 1.00 0.00 O ATOM 760 CB LYS A 91 -4.599 -10.677 2.046 1.00 0.00 C ATOM 761 CG LYS A 91 -5.842 -11.522 2.298 1.00 0.00 C ATOM 762 CD LYS A 91 -5.484 -12.916 2.794 1.00 0.00 C ATOM 763 CE LYS A 91 -4.958 -13.799 1.670 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.997 -14.742 1.164 1.00 0.00 N ATOM 0 H LYS A 91 -6.361 -9.657 0.604 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.079 -8.824 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.148 -10.986 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.869 -10.880 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.476 -11.026 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.421 -11.601 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.732 -12.840 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.364 -13.380 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.608 -13.172 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.098 -14.366 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.596 -15.323 0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.313 -15.359 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.808 -14.202 0.799 1.00 0.00 H new ATOM 778 N VAL A 92 -3.353 -7.258 2.018 1.00 0.00 N ATOM 779 CA VAL A 92 -2.214 -6.458 1.571 1.00 0.00 C ATOM 780 C VAL A 92 -1.077 -6.471 2.589 1.00 0.00 C ATOM 781 O VAL A 92 -1.319 -6.506 3.793 1.00 0.00 O ATOM 782 CB VAL A 92 -2.624 -4.993 1.293 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.875 -4.937 0.431 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.834 -4.226 2.597 1.00 0.00 C ATOM 0 H VAL A 92 -3.891 -6.840 2.777 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.865 -6.915 0.645 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.810 -4.515 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.145 -3.897 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.684 -5.435 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.694 -5.439 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.122 -3.199 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.622 -4.705 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.908 -4.226 3.172 1.00 0.00 H new ATOM 794 N LEU A 93 0.158 -6.417 2.091 1.00 0.00 N ATOM 795 CA LEU A 93 1.340 -6.397 2.950 1.00 0.00 C ATOM 796 C LEU A 93 1.863 -4.973 3.085 1.00 0.00 C ATOM 797 O LEU A 93 1.997 -4.262 2.089 1.00 0.00 O ATOM 798 CB LEU A 93 2.437 -7.302 2.375 1.00 0.00 C ATOM 799 CG LEU A 93 2.533 -8.693 3.007 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.336 -9.634 2.120 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.152 -8.606 4.395 1.00 0.00 C ATOM 0 H LEU A 93 0.366 -6.386 1.093 1.00 0.00 H new ATOM 0 HA LEU A 93 1.059 -6.770 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.266 -7.418 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.398 -6.800 2.492 1.00 0.00 H new ATOM 0 HG LEU A 93 1.525 -9.095 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.392 -10.617 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.850 -9.722 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.343 -9.238 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.213 -9.604 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.153 -8.181 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.534 -7.971 5.030 1.00 0.00 H new ATOM 813 N PHE A 94 2.155 -4.550 4.316 1.00 0.00 N ATOM 814 CA PHE A 94 2.658 -3.193 4.546 1.00 0.00 C ATOM 815 C PHE A 94 4.188 -3.147 4.480 1.00 0.00 C ATOM 816 O PHE A 94 4.851 -4.182 4.553 1.00 0.00 O ATOM 817 CB PHE A 94 2.193 -2.675 5.907 1.00 0.00 C ATOM 818 CG PHE A 94 0.916 -1.878 5.873 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.270 -2.431 5.408 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.907 -0.568 6.325 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.436 -1.688 5.396 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.253 0.177 6.311 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.427 -0.382 5.847 1.00 0.00 C ATOM 0 H PHE A 94 2.054 -5.117 5.158 1.00 0.00 H new ATOM 0 HA PHE A 94 2.257 -2.556 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.058 -3.524 6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.981 -2.055 6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.282 -3.451 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.821 -0.125 6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.353 -2.128 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.243 1.198 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.336 0.200 5.837 1.00 0.00 H new ATOM 833 N PHE A 95 4.739 -1.937 4.345 1.00 0.00 N ATOM 834 CA PHE A 95 6.188 -1.753 4.271 1.00 0.00 C ATOM 835 C PHE A 95 6.625 -0.487 5.010 1.00 0.00 C ATOM 836 O PHE A 95 5.951 0.539 4.936 1.00 0.00 O ATOM 837 CB PHE A 95 6.638 -1.673 2.811 1.00 0.00 C ATOM 838 CG PHE A 95 6.290 -2.890 2.005 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.934 -4.094 2.234 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.314 -2.829 1.025 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.613 -5.217 1.497 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.988 -3.948 0.284 1.00 0.00 C ATOM 843 CZ PHE A 95 5.638 -5.143 0.519 1.00 0.00 C ATOM 0 H PHE A 95 4.202 -1.072 4.285 1.00 0.00 H new ATOM 0 HA PHE A 95 6.656 -2.613 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.182 -0.798 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.717 -1.524 2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.696 -4.156 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.802 -1.897 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.122 -6.151 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.225 -3.888 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.385 -6.019 -0.060 1.00 0.00 H new ATOM 853 N PRO A 96 7.766 -0.537 5.730 1.00 0.00 N ATOM 854 CA PRO A 96 8.601 -1.733 5.846 1.00 0.00 C ATOM 855 C PRO A 96 8.198 -2.610 7.035 1.00 0.00 C ATOM 856 O PRO A 96 7.180 -2.362 7.680 1.00 0.00 O ATOM 857 CB PRO A 96 9.987 -1.132 6.071 1.00 0.00 C ATOM 858 CG PRO A 96 9.739 0.135 6.830 1.00 0.00 C ATOM 859 CD PRO A 96 8.334 0.585 6.501 1.00 0.00 C ATOM 0 HA PRO A 96 8.525 -2.389 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.626 -1.812 6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.490 -0.934 5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.849 -0.031 7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.464 0.900 6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.756 0.780 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.337 1.507 5.919 1.00 0.00 H new ATOM 867 N ASP A 97 9.013 -3.634 7.317 1.00 0.00 N ATOM 868 CA ASP A 97 8.769 -4.557 8.432 1.00 0.00 C ATOM 869 C ASP A 97 7.621 -5.539 8.145 1.00 0.00 C ATOM 870 O ASP A 97 7.296 -6.374 8.992 1.00 0.00 O ATOM 871 CB ASP A 97 8.491 -3.784 9.728 1.00 0.00 C ATOM 872 CG ASP A 97 9.277 -4.319 10.914 1.00 0.00 C ATOM 873 OD1 ASP A 97 10.485 -4.600 10.756 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.684 -4.452 12.006 1.00 0.00 O ATOM 0 H ASP A 97 9.855 -3.845 6.782 1.00 0.00 H new ATOM 0 HA ASP A 97 9.678 -5.146 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.738 -2.733 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.426 -3.832 9.953 1.00 0.00 H new ATOM 879 N PHE A 98 7.029 -5.459 6.948 1.00 0.00 N ATOM 880 CA PHE A 98 5.942 -6.361 6.550 1.00 0.00 C ATOM 881 C PHE A 98 4.812 -6.390 7.583 1.00 0.00 C ATOM 882 O PHE A 98 4.758 -7.284 8.430 1.00 0.00 O ATOM 883 CB PHE A 98 6.491 -7.780 6.338 1.00 0.00 C ATOM 884 CG PHE A 98 7.747 -7.835 5.510 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.992 -7.644 6.094 1.00 0.00 C ATOM 886 CD2 PHE A 98 7.682 -8.082 4.150 1.00 0.00 C ATOM 887 CE1 PHE A 98 10.144 -7.699 5.335 1.00 0.00 C ATOM 888 CE2 PHE A 98 8.831 -8.139 3.386 1.00 0.00 C ATOM 889 CZ PHE A 98 10.064 -7.948 3.979 1.00 0.00 C ATOM 0 H PHE A 98 7.286 -4.776 6.235 1.00 0.00 H new ATOM 0 HA PHE A 98 5.526 -5.982 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.690 -8.230 7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.724 -8.387 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.060 -7.450 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.721 -8.232 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 98 11.106 -7.547 5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 98 8.766 -8.333 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 98 10.964 -7.993 3.383 1.00 0.00 H new ATOM 899 N ASN A 99 3.905 -5.412 7.502 1.00 0.00 N ATOM 900 CA ASN A 99 2.773 -5.333 8.431 1.00 0.00 C ATOM 901 C ASN A 99 1.435 -5.414 7.687 1.00 0.00 C ATOM 902 O ASN A 99 0.628 -4.483 7.718 1.00 0.00 O ATOM 903 CB ASN A 99 2.834 -4.045 9.249 1.00 0.00 C ATOM 904 CG ASN A 99 4.210 -3.783 9.832 1.00 0.00 C ATOM 905 OD1 ASN A 99 5.141 -3.425 9.113 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.345 -3.961 11.142 1.00 0.00 N ATOM 0 H ASN A 99 3.932 -4.667 6.806 1.00 0.00 H new ATOM 0 HA ASN A 99 2.844 -6.186 9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.546 -3.205 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.106 -4.099 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.248 -3.800 11.588 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.546 -4.259 11.701 1.00 0.00 H new ATOM 913 N PHE A 100 1.222 -6.531 7.010 1.00 0.00 N ATOM 914 CA PHE A 100 0.000 -6.767 6.235 1.00 0.00 C ATOM 915 C PHE A 100 -1.275 -6.457 7.035 1.00 0.00 C ATOM 916 O PHE A 100 -1.280 -6.517 8.267 1.00 0.00 O ATOM 917 CB PHE A 100 -0.040 -8.216 5.739 1.00 0.00 C ATOM 918 CG PHE A 100 0.213 -9.228 6.820 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.501 -9.481 7.263 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.838 -9.919 7.393 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.735 -10.408 8.259 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.613 -10.846 8.388 1.00 0.00 C ATOM 923 CZ PHE A 100 0.676 -11.093 8.823 1.00 0.00 C ATOM 0 H PHE A 100 1.887 -7.304 6.978 1.00 0.00 H new ATOM 0 HA PHE A 100 0.026 -6.084 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.014 -8.411 5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.704 -8.343 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.331 -8.947 6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.847 -9.730 7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.743 -10.597 8.596 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.443 -11.379 8.828 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.855 -11.820 9.602 1.00 0.00 H new ATOM 933 N ALA A 101 -2.351 -6.128 6.310 1.00 0.00 N ATOM 934 CA ALA A 101 -3.644 -5.802 6.917 1.00 0.00 C ATOM 935 C ALA A 101 -4.807 -6.185 5.995 1.00 0.00 C ATOM 936 O ALA A 101 -4.689 -6.110 4.770 1.00 0.00 O ATOM 937 CB ALA A 101 -3.705 -4.314 7.247 1.00 0.00 C ATOM 0 H ALA A 101 -2.349 -6.081 5.291 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.740 -6.380 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.670 -4.081 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.907 -4.063 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.582 -3.733 6.333 1.00 0.00 H new ATOM 943 N TRP A 102 -5.933 -6.585 6.597 1.00 0.00 N ATOM 944 CA TRP A 102 -7.130 -6.969 5.842 1.00 0.00 C ATOM 945 C TRP A 102 -8.114 -5.803 5.766 1.00 0.00 C ATOM 946 O TRP A 102 -8.693 -5.404 6.779 1.00 0.00 O ATOM 947 CB TRP A 102 -7.819 -8.182 6.486 1.00 0.00 C ATOM 948 CG TRP A 102 -6.883 -9.303 6.836 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.756 -9.679 6.161 1.00 0.00 C ATOM 950 CD2 TRP A 102 -6.999 -10.196 7.951 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.165 -10.747 6.789 1.00 0.00 N ATOM 952 CE2 TRP A 102 -5.910 -11.085 7.889 1.00 0.00 C ATOM 953 CE3 TRP A 102 -7.919 -10.330 8.995 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.715 -12.093 8.831 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.724 -11.330 9.931 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.631 -12.201 9.842 1.00 0.00 C ATOM 0 H TRP A 102 -6.040 -6.651 7.609 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.815 -7.238 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.334 -7.857 7.390 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.581 -8.559 5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.385 -9.205 5.264 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.310 -11.214 6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.767 -9.665 9.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.872 -12.765 8.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.426 -11.441 10.744 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.508 -12.974 10.586 1.00 0.00 H new ATOM 967 N VAL A 103 -8.294 -5.256 4.564 1.00 0.00 N ATOM 968 CA VAL A 103 -9.204 -4.129 4.357 1.00 0.00 C ATOM 969 C VAL A 103 -10.001 -4.287 3.065 1.00 0.00 C ATOM 970 O VAL A 103 -9.615 -5.046 2.176 1.00 0.00 O ATOM 971 CB VAL A 103 -8.438 -2.789 4.309 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.758 -2.512 5.641 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.425 -2.790 3.171 1.00 0.00 C ATOM 0 H VAL A 103 -7.822 -5.575 3.718 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.890 -4.122 5.204 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.155 -1.990 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.224 -1.563 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.509 -2.461 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.053 -3.313 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.896 -1.837 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.710 -3.599 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -7.943 -2.934 2.223 1.00 0.00 H new ATOM 983 N LYS A 104 -11.110 -3.557 2.959 1.00 0.00 N ATOM 984 CA LYS A 104 -11.951 -3.609 1.765 1.00 0.00 C ATOM 985 C LYS A 104 -11.399 -2.696 0.668 1.00 0.00 C ATOM 986 O LYS A 104 -10.567 -1.829 0.934 1.00 0.00 O ATOM 987 CB LYS A 104 -13.386 -3.196 2.105 1.00 0.00 C ATOM 988 CG LYS A 104 -14.436 -3.831 1.207 1.00 0.00 C ATOM 989 CD LYS A 104 -15.764 -3.985 1.930 1.00 0.00 C ATOM 990 CE LYS A 104 -16.523 -5.215 1.459 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.240 -5.890 2.578 1.00 0.00 N ATOM 0 H LYS A 104 -11.446 -2.924 3.684 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.950 -4.635 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.596 -3.465 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.469 -2.111 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.574 -3.218 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.087 -4.808 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.588 -4.055 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.373 -3.096 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.240 -4.926 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -15.827 -5.916 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.005 -6.480 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -16.573 -6.488 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.642 -5.173 3.215 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.879 -2.891 -0.561 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.444 -2.077 -1.701 1.00 0.00 C ATOM 1007 C ARG A 105 -11.685 -0.583 -1.453 1.00 0.00 C ATOM 1008 O ARG A 105 -11.014 0.262 -2.046 1.00 0.00 O ATOM 1009 CB ARG A 105 -12.176 -2.512 -2.973 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.683 -3.834 -3.539 1.00 0.00 C ATOM 1011 CD ARG A 105 -12.667 -4.966 -3.275 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.957 -4.750 -3.936 1.00 0.00 N ATOM 1013 CZ ARG A 105 -14.839 -5.722 -4.183 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -14.573 -6.981 -3.845 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -15.995 -5.435 -4.774 1.00 0.00 N ATOM 0 H ARG A 105 -12.569 -3.605 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.372 -2.232 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.242 -2.593 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.061 -1.737 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.525 -3.733 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.718 -4.081 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.237 -5.906 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.824 -5.064 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.195 -3.801 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.688 -7.212 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.254 -7.716 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.208 -4.473 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.669 -6.177 -4.963 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.642 -0.260 -0.575 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.957 1.136 -0.260 1.00 0.00 C ATOM 1031 C ASN A 106 -11.811 1.810 0.498 1.00 0.00 C ATOM 1032 O ASN A 106 -11.592 3.013 0.353 1.00 0.00 O ATOM 1033 CB ASN A 106 -14.259 1.244 0.547 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.217 0.486 1.867 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -13.383 0.762 2.728 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.128 -0.471 2.036 1.00 0.00 N ATOM 0 H ASN A 106 -13.209 -0.944 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.093 1.656 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.468 2.295 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.084 0.864 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.151 -1.006 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.803 -0.669 1.297 1.00 0.00 H new ATOM 1043 N SER A 107 -11.075 1.035 1.296 1.00 0.00 N ATOM 1044 CA SER A 107 -9.948 1.572 2.059 1.00 0.00 C ATOM 1045 C SER A 107 -8.626 1.359 1.311 1.00 0.00 C ATOM 1046 O SER A 107 -7.548 1.518 1.885 1.00 0.00 O ATOM 1047 CB SER A 107 -9.877 0.922 3.448 1.00 0.00 C ATOM 1048 OG SER A 107 -10.539 -0.331 3.471 1.00 0.00 O ATOM 0 H SER A 107 -11.238 0.037 1.430 1.00 0.00 H new ATOM 0 HA SER A 107 -10.107 2.644 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.834 0.789 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.328 1.586 4.185 1.00 0.00 H new ATOM 0 HG SER A 107 -11.505 -0.192 3.383 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.719 1.000 0.027 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.541 0.759 -0.801 1.00 0.00 C ATOM 1056 C VAL A 108 -7.560 1.636 -2.059 1.00 0.00 C ATOM 1057 O VAL A 108 -8.624 1.899 -2.622 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.459 -0.727 -1.210 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.274 -0.978 -2.136 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.381 -1.620 0.020 1.00 0.00 C ATOM 0 H VAL A 108 -9.605 0.870 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.664 1.018 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.369 -0.975 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.242 -2.033 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.382 -0.375 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.350 -0.706 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.324 -2.663 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.494 -1.365 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.270 -1.472 0.634 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.377 2.079 -2.493 1.00 0.00 N ATOM 1071 CA LYS A 109 -6.248 2.923 -3.683 1.00 0.00 C ATOM 1072 C LYS A 109 -5.163 2.384 -4.619 1.00 0.00 C ATOM 1073 O LYS A 109 -4.073 2.024 -4.170 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.917 4.363 -3.276 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.809 5.322 -4.454 1.00 0.00 C ATOM 1076 CD LYS A 109 -5.703 6.767 -3.996 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.038 7.490 -4.109 1.00 0.00 C ATOM 1078 NZ LYS A 109 -6.873 8.922 -4.489 1.00 0.00 N ATOM 0 H LYS A 109 -5.491 1.866 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.200 2.910 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.686 4.724 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.976 4.369 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.935 5.065 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.681 5.207 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.359 6.797 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.956 7.286 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.659 6.988 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.565 7.427 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.807 9.374 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.302 9.409 -3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.394 8.984 -5.410 1.00 0.00 H new ATOM 1092 N PRO A 110 -5.446 2.318 -5.939 1.00 0.00 N ATOM 1093 CA PRO A 110 -4.486 1.816 -6.937 1.00 0.00 C ATOM 1094 C PRO A 110 -3.135 2.530 -6.873 1.00 0.00 C ATOM 1095 O PRO A 110 -3.069 3.760 -6.915 1.00 0.00 O ATOM 1096 CB PRO A 110 -5.178 2.099 -8.275 1.00 0.00 C ATOM 1097 CG PRO A 110 -6.629 2.160 -7.950 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.722 2.723 -6.559 1.00 0.00 C ATOM 0 HA PRO A 110 -4.253 0.764 -6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.831 3.037 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.969 1.314 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.162 2.791 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.082 1.170 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.836 3.807 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.578 2.318 -6.018 1.00 0.00 H new ATOM 1106 N LEU A 111 -2.062 1.745 -6.774 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.704 2.286 -6.706 1.00 0.00 C ATOM 1108 C LEU A 111 0.131 1.798 -7.892 1.00 0.00 C ATOM 1109 O LEU A 111 0.007 0.646 -8.312 1.00 0.00 O ATOM 1110 CB LEU A 111 -0.040 1.866 -5.387 1.00 0.00 C ATOM 1111 CG LEU A 111 0.799 2.942 -4.689 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.889 3.464 -5.607 1.00 0.00 C ATOM 1113 CD2 LEU A 111 -0.086 4.080 -4.199 1.00 0.00 C ATOM 0 H LEU A 111 -2.108 0.727 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.761 3.374 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.819 1.537 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.598 1.004 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 111 1.280 2.486 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.469 4.226 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.545 2.643 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.437 3.898 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.529 4.833 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.602 4.531 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.820 3.692 -3.492 1.00 0.00 H new ATOM 1125 N LEU A 112 0.978 2.675 -8.429 1.00 0.00 N ATOM 1126 CA LEU A 112 1.831 2.322 -9.564 1.00 0.00 C ATOM 1127 C LEU A 112 3.301 2.600 -9.252 1.00 0.00 C ATOM 1128 O LEU A 112 3.613 3.372 -8.346 1.00 0.00 O ATOM 1129 CB LEU A 112 1.402 3.089 -10.822 1.00 0.00 C ATOM 1130 CG LEU A 112 1.001 4.552 -10.597 1.00 0.00 C ATOM 1131 CD1 LEU A 112 1.598 5.444 -11.677 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.516 4.690 -10.562 1.00 0.00 C ATOM 0 H LEU A 112 1.092 3.633 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 112 1.716 1.254 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.221 3.061 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.561 2.565 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 112 1.397 4.873 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.302 6.478 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.685 5.368 -11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.235 5.125 -12.654 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.783 5.735 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.934 4.350 -11.509 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.918 4.084 -9.750 1.00 0.00 H new ATOM 1144 N ASP A 113 4.198 1.968 -10.011 1.00 0.00 N ATOM 1145 CA ASP A 113 5.635 2.149 -9.811 1.00 0.00 C ATOM 1146 C ASP A 113 6.038 3.601 -10.042 1.00 0.00 C ATOM 1147 O ASP A 113 6.858 4.146 -9.301 1.00 0.00 O ATOM 1148 CB ASP A 113 6.435 1.234 -10.739 1.00 0.00 C ATOM 1149 CG ASP A 113 7.700 0.715 -10.081 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.592 0.007 -9.058 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.800 1.022 -10.582 1.00 0.00 O ATOM 0 H ASP A 113 3.955 1.328 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 113 5.860 1.883 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.813 0.392 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.697 1.778 -11.646 1.00 0.00 H new ATOM 1156 N SER A 114 5.452 4.225 -11.065 1.00 0.00 N ATOM 1157 CA SER A 114 5.749 5.622 -11.377 1.00 0.00 C ATOM 1158 C SER A 114 5.376 6.525 -10.202 1.00 0.00 C ATOM 1159 O SER A 114 5.980 7.576 -10.013 1.00 0.00 O ATOM 1160 CB SER A 114 5.007 6.066 -12.644 1.00 0.00 C ATOM 1161 OG SER A 114 5.844 6.850 -13.479 1.00 0.00 O ATOM 0 H SER A 114 4.773 3.787 -11.688 1.00 0.00 H new ATOM 0 HA SER A 114 6.821 5.709 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.660 5.190 -13.192 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.123 6.640 -12.369 1.00 0.00 H new ATOM 0 HG SER A 114 5.348 7.119 -14.280 1.00 0.00 H new ATOM 1167 N GLU A 115 4.387 6.102 -9.408 1.00 0.00 N ATOM 1168 CA GLU A 115 3.953 6.874 -8.246 1.00 0.00 C ATOM 1169 C GLU A 115 4.879 6.620 -7.056 1.00 0.00 C ATOM 1170 O GLU A 115 5.289 7.555 -6.369 1.00 0.00 O ATOM 1171 CB GLU A 115 2.511 6.522 -7.869 1.00 0.00 C ATOM 1172 CG GLU A 115 1.465 7.300 -8.656 1.00 0.00 C ATOM 1173 CD GLU A 115 0.875 8.466 -7.879 1.00 0.00 C ATOM 1174 OE1 GLU A 115 1.592 9.051 -7.039 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.306 8.794 -8.117 1.00 0.00 O ATOM 0 H GLU A 115 3.875 5.231 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 115 3.998 7.931 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.353 5.455 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.367 6.710 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.916 7.675 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.662 6.623 -8.948 1.00 0.00 H new ATOM 1182 N ILE A 116 5.213 5.350 -6.828 1.00 0.00 N ATOM 1183 CA ILE A 116 6.101 4.968 -5.731 1.00 0.00 C ATOM 1184 C ILE A 116 7.469 5.614 -5.917 1.00 0.00 C ATOM 1185 O ILE A 116 7.964 6.307 -5.026 1.00 0.00 O ATOM 1186 CB ILE A 116 6.272 3.429 -5.630 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.916 2.748 -5.425 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.220 3.067 -4.495 1.00 0.00 C ATOM 1189 CD1 ILE A 116 4.994 1.236 -5.413 1.00 0.00 C ATOM 0 H ILE A 116 4.881 4.567 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 116 5.643 5.319 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 116 6.701 3.073 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.486 3.089 -4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.237 3.062 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.326 1.984 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.195 3.519 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.818 3.439 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.997 0.821 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.394 0.885 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.647 0.912 -4.603 1.00 0.00 H new ATOM 1201 N ALA A 117 8.063 5.400 -7.094 1.00 0.00 N ATOM 1202 CA ALA A 117 9.363 5.980 -7.414 1.00 0.00 C ATOM 1203 C ALA A 117 9.320 7.492 -7.233 1.00 0.00 C ATOM 1204 O ALA A 117 10.273 8.098 -6.743 1.00 0.00 O ATOM 1205 CB ALA A 117 9.766 5.633 -8.841 1.00 0.00 C ATOM 0 H ALA A 117 7.662 4.829 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 117 10.106 5.563 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.738 6.074 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.826 4.550 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.023 6.026 -9.535 1.00 0.00 H new ATOM 1211 N LYS A 118 8.196 8.089 -7.630 1.00 0.00 N ATOM 1212 CA LYS A 118 8.007 9.528 -7.511 1.00 0.00 C ATOM 1213 C LYS A 118 7.944 9.955 -6.057 1.00 0.00 C ATOM 1214 O LYS A 118 8.684 10.842 -5.631 1.00 0.00 O ATOM 1215 CB LYS A 118 6.733 9.962 -8.223 1.00 0.00 C ATOM 1216 CG LYS A 118 6.952 11.155 -9.116 1.00 0.00 C ATOM 1217 CD LYS A 118 6.730 10.794 -10.576 1.00 0.00 C ATOM 1218 CE LYS A 118 6.729 12.026 -11.472 1.00 0.00 C ATOM 1219 NZ LYS A 118 7.735 11.921 -12.570 1.00 0.00 N ATOM 0 H LYS A 118 7.403 7.594 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 118 8.864 10.011 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.351 9.132 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.970 10.201 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.272 11.957 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.966 11.533 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.511 10.108 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.781 10.269 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.736 12.161 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.939 12.911 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.701 12.780 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.686 11.818 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.520 11.091 -13.159 1.00 0.00 H new ATOM 1233 N PHE A 119 7.057 9.316 -5.296 1.00 0.00 N ATOM 1234 CA PHE A 119 6.904 9.626 -3.875 1.00 0.00 C ATOM 1235 C PHE A 119 8.271 9.662 -3.197 1.00 0.00 C ATOM 1236 O PHE A 119 8.568 10.570 -2.419 1.00 0.00 O ATOM 1237 CB PHE A 119 6.001 8.585 -3.201 1.00 0.00 C ATOM 1238 CG PHE A 119 6.007 8.639 -1.693 1.00 0.00 C ATOM 1239 CD1 PHE A 119 7.037 8.062 -0.964 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.975 9.258 -1.005 1.00 0.00 C ATOM 1241 CE1 PHE A 119 7.038 8.100 0.417 1.00 0.00 C ATOM 1242 CE2 PHE A 119 4.972 9.300 0.378 1.00 0.00 C ATOM 1243 CZ PHE A 119 6.006 8.720 1.086 1.00 0.00 C ATOM 0 H PHE A 119 6.435 8.583 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 119 6.438 10.607 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.979 8.725 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.314 7.590 -3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.850 7.576 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 119 4.164 9.713 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.846 7.645 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.162 9.785 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 119 6.005 8.753 2.166 1.00 0.00 H new ATOM 1253 N LEU A 120 9.099 8.668 -3.512 1.00 0.00 N ATOM 1254 CA LEU A 120 10.441 8.576 -2.948 1.00 0.00 C ATOM 1255 C LEU A 120 11.350 9.657 -3.524 1.00 0.00 C ATOM 1256 O LEU A 120 12.207 10.196 -2.819 1.00 0.00 O ATOM 1257 CB LEU A 120 11.040 7.205 -3.231 1.00 0.00 C ATOM 1258 CG LEU A 120 10.357 6.045 -2.509 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.300 4.818 -3.409 1.00 0.00 C ATOM 1260 CD2 LEU A 120 11.082 5.731 -1.207 1.00 0.00 C ATOM 0 H LEU A 120 8.862 7.914 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 120 10.362 8.722 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.999 7.021 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.093 7.219 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 120 9.335 6.336 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.810 4.001 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.737 5.055 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.312 4.519 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.584 4.902 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.115 5.457 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.067 6.609 -0.561 1.00 0.00 H new ATOM 1272 N GLY A 121 11.152 9.978 -4.809 1.00 0.00 N ATOM 1273 CA GLY A 121 11.955 11.004 -5.451 1.00 0.00 C ATOM 1274 C GLY A 121 11.759 12.375 -4.825 1.00 0.00 C ATOM 1275 O GLY A 121 12.564 13.283 -5.045 1.00 0.00 O ATOM 0 H GLY A 121 10.451 9.544 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 121 13.008 10.728 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.699 11.052 -6.509 1.00 0.00 H new ATOM 1369 N SER A 127 9.006 12.271 5.651 1.00 0.00 N ATOM 1370 CA SER A 127 9.477 11.714 6.916 1.00 0.00 C ATOM 1371 C SER A 127 10.264 10.432 6.672 1.00 0.00 C ATOM 1372 O SER A 127 10.023 9.724 5.694 1.00 0.00 O ATOM 1373 CB SER A 127 8.302 11.436 7.863 1.00 0.00 C ATOM 1374 OG SER A 127 7.100 11.209 7.147 1.00 0.00 O ATOM 0 HA SER A 127 10.132 12.448 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.529 10.567 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.170 12.281 8.539 1.00 0.00 H new ATOM 0 HG SER A 127 7.163 11.626 6.262 1.00 0.00 H new ATOM 1380 N LYS A 128 11.202 10.130 7.569 1.00 0.00 N ATOM 1381 CA LYS A 128 12.019 8.924 7.449 1.00 0.00 C ATOM 1382 C LYS A 128 11.130 7.686 7.421 1.00 0.00 C ATOM 1383 O LYS A 128 11.385 6.747 6.665 1.00 0.00 O ATOM 1384 CB LYS A 128 13.024 8.826 8.604 1.00 0.00 C ATOM 1385 CG LYS A 128 14.462 9.100 8.187 1.00 0.00 C ATOM 1386 CD LYS A 128 14.993 8.022 7.254 1.00 0.00 C ATOM 1387 CE LYS A 128 16.453 8.263 6.895 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.381 7.490 7.769 1.00 0.00 N ATOM 0 H LYS A 128 11.415 10.703 8.385 1.00 0.00 H new ATOM 0 HA LYS A 128 12.577 8.982 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 128 12.740 9.534 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.965 7.830 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.519 10.070 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.093 9.157 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.890 7.046 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.393 7.999 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.620 7.985 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.676 9.326 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.364 7.684 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.241 7.773 8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.187 6.473 7.668 1.00 0.00 H new ATOM 1402 N GLU A 129 10.075 7.700 8.238 1.00 0.00 N ATOM 1403 CA GLU A 129 9.133 6.588 8.297 1.00 0.00 C ATOM 1404 C GLU A 129 8.352 6.470 6.989 1.00 0.00 C ATOM 1405 O GLU A 129 8.015 5.365 6.560 1.00 0.00 O ATOM 1406 CB GLU A 129 8.164 6.758 9.473 1.00 0.00 C ATOM 1407 CG GLU A 129 7.259 7.980 9.358 1.00 0.00 C ATOM 1408 CD GLU A 129 7.049 8.677 10.686 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.216 8.198 11.486 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.717 9.704 10.930 1.00 0.00 O ATOM 0 H GLU A 129 9.854 8.472 8.867 1.00 0.00 H new ATOM 0 HA GLU A 129 9.705 5.672 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.544 5.865 9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.738 6.829 10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.693 8.683 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.293 7.675 8.955 1.00 0.00 H new ATOM 1417 N LEU A 130 8.066 7.612 6.354 1.00 0.00 N ATOM 1418 CA LEU A 130 7.322 7.614 5.096 1.00 0.00 C ATOM 1419 C LEU A 130 8.207 7.165 3.937 1.00 0.00 C ATOM 1420 O LEU A 130 7.808 6.316 3.140 1.00 0.00 O ATOM 1421 CB LEU A 130 6.740 9.003 4.805 1.00 0.00 C ATOM 1422 CG LEU A 130 5.240 9.160 5.084 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.845 10.631 5.082 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.418 8.388 4.058 1.00 0.00 C ATOM 0 H LEU A 130 8.337 8.537 6.689 1.00 0.00 H new ATOM 0 HA LEU A 130 6.499 6.907 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.282 9.737 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.925 9.243 3.758 1.00 0.00 H new ATOM 0 HG LEU A 130 5.033 8.748 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.777 10.721 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.405 11.159 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.070 11.067 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.357 8.512 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.632 8.769 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.676 7.330 4.106 1.00 0.00 H new ATOM 1436 N ILE A 131 9.410 7.734 3.843 1.00 0.00 N ATOM 1437 CA ILE A 131 10.335 7.376 2.771 1.00 0.00 C ATOM 1438 C ILE A 131 10.704 5.898 2.846 1.00 0.00 C ATOM 1439 O ILE A 131 10.618 5.180 1.850 1.00 0.00 O ATOM 1440 CB ILE A 131 11.625 8.221 2.805 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.294 9.718 2.801 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.512 7.868 1.617 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.292 10.565 3.567 1.00 0.00 C ATOM 0 H ILE A 131 9.763 8.438 4.491 1.00 0.00 H new ATOM 0 HA ILE A 131 9.817 7.581 1.834 1.00 0.00 H new ATOM 0 HB ILE A 131 12.163 7.995 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.249 10.068 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.303 9.863 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.420 8.470 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.775 6.811 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.976 8.070 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.992 11.612 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.320 10.242 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.282 10.451 3.125 1.00 0.00 H new ATOM 1455 N GLU A 132 11.103 5.448 4.037 1.00 0.00 N ATOM 1456 CA GLU A 132 11.470 4.049 4.243 1.00 0.00 C ATOM 1457 C GLU A 132 10.327 3.125 3.830 1.00 0.00 C ATOM 1458 O GLU A 132 10.557 2.003 3.376 1.00 0.00 O ATOM 1459 CB GLU A 132 11.836 3.805 5.709 1.00 0.00 C ATOM 1460 CG GLU A 132 12.832 2.672 5.909 1.00 0.00 C ATOM 1461 CD GLU A 132 12.638 1.941 7.227 1.00 0.00 C ATOM 1462 OE1 GLU A 132 12.159 2.569 8.197 1.00 0.00 O ATOM 1463 OE2 GLU A 132 12.968 0.738 7.289 1.00 0.00 O ATOM 0 H GLU A 132 11.180 6.031 4.870 1.00 0.00 H new ATOM 0 HA GLU A 132 12.337 3.829 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.252 4.721 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.928 3.582 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.737 1.962 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.845 3.073 5.867 1.00 0.00 H new ATOM 1470 N ALA A 133 9.091 3.608 3.987 1.00 0.00 N ATOM 1471 CA ALA A 133 7.910 2.832 3.627 1.00 0.00 C ATOM 1472 C ALA A 133 7.868 2.551 2.137 1.00 0.00 C ATOM 1473 O ALA A 133 7.765 1.398 1.716 1.00 0.00 O ATOM 1474 CB ALA A 133 6.647 3.562 4.054 1.00 0.00 C ATOM 0 H ALA A 133 8.887 4.534 4.362 1.00 0.00 H new ATOM 0 HA ALA A 133 7.966 1.878 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.774 2.970 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.659 3.709 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.601 4.531 3.556 1.00 0.00 H new ATOM 1480 N TYR A 134 7.958 3.611 1.345 1.00 0.00 N ATOM 1481 CA TYR A 134 7.938 3.467 -0.106 1.00 0.00 C ATOM 1482 C TYR A 134 9.223 2.807 -0.589 1.00 0.00 C ATOM 1483 O TYR A 134 9.221 2.090 -1.588 1.00 0.00 O ATOM 1484 CB TYR A 134 7.737 4.822 -0.785 1.00 0.00 C ATOM 1485 CG TYR A 134 6.282 5.160 -1.030 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.425 5.439 0.027 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.765 5.194 -2.318 1.00 0.00 C ATOM 1488 CE1 TYR A 134 4.097 5.743 -0.193 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.436 5.499 -2.546 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.607 5.771 -1.481 1.00 0.00 C ATOM 1491 OH TYR A 134 2.283 6.073 -1.704 1.00 0.00 O ATOM 0 H TYR A 134 8.045 4.571 1.678 1.00 0.00 H new ATOM 0 HA TYR A 134 7.097 2.828 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 134 8.184 5.600 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.269 4.826 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.804 5.418 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.412 4.979 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.445 5.958 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.050 5.524 -3.554 1.00 0.00 H new ATOM 0 HH TYR A 134 2.100 6.051 -2.667 1.00 0.00 H new ATOM 1501 N GLU A 135 10.318 3.035 0.141 1.00 0.00 N ATOM 1502 CA GLU A 135 11.604 2.439 -0.203 1.00 0.00 C ATOM 1503 C GLU A 135 11.549 0.924 -0.025 1.00 0.00 C ATOM 1504 O GLU A 135 12.201 0.183 -0.759 1.00 0.00 O ATOM 1505 CB GLU A 135 12.724 3.021 0.665 1.00 0.00 C ATOM 1506 CG GLU A 135 13.999 3.316 -0.108 1.00 0.00 C ATOM 1507 CD GLU A 135 15.034 2.218 0.036 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.754 2.211 1.056 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.123 1.364 -0.872 1.00 0.00 O ATOM 0 H GLU A 135 10.336 3.627 0.971 1.00 0.00 H new ATOM 0 HA GLU A 135 11.816 2.671 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.371 3.940 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.950 2.321 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.758 3.447 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.422 4.258 0.242 1.00 0.00 H new ATOM 1516 N ALA A 136 10.755 0.469 0.952 1.00 0.00 N ATOM 1517 CA ALA A 136 10.613 -0.962 1.212 1.00 0.00 C ATOM 1518 C ALA A 136 9.746 -1.629 0.146 1.00 0.00 C ATOM 1519 O ALA A 136 10.023 -2.749 -0.282 1.00 0.00 O ATOM 1520 CB ALA A 136 10.030 -1.197 2.597 1.00 0.00 C ATOM 0 H ALA A 136 10.207 1.068 1.569 1.00 0.00 H new ATOM 0 HA ALA A 136 11.605 -1.413 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.931 -2.268 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.691 -0.765 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.049 -0.726 2.663 1.00 0.00 H new ATOM 1526 N SER A 137 8.697 -0.925 -0.282 1.00 0.00 N ATOM 1527 CA SER A 137 7.782 -1.433 -1.305 1.00 0.00 C ATOM 1528 C SER A 137 8.346 -1.236 -2.721 1.00 0.00 C ATOM 1529 O SER A 137 7.906 -1.893 -3.666 1.00 0.00 O ATOM 1530 CB SER A 137 6.417 -0.744 -1.183 1.00 0.00 C ATOM 1531 OG SER A 137 6.461 0.583 -1.684 1.00 0.00 O ATOM 0 H SER A 137 8.459 0.004 0.066 1.00 0.00 H new ATOM 0 HA SER A 137 7.664 -2.504 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.668 -1.317 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 137 6.107 -0.730 -0.138 1.00 0.00 H new ATOM 0 HG SER A 137 7.367 0.942 -1.581 1.00 0.00 H new ATOM 1537 N LYS A 138 9.309 -0.317 -2.856 1.00 0.00 N ATOM 1538 CA LYS A 138 9.934 -0.009 -4.147 1.00 0.00 C ATOM 1539 C LYS A 138 10.537 -1.245 -4.824 1.00 0.00 C ATOM 1540 O LYS A 138 10.781 -1.228 -6.030 1.00 0.00 O ATOM 1541 CB LYS A 138 11.029 1.045 -3.957 1.00 0.00 C ATOM 1542 CG LYS A 138 11.503 1.681 -5.254 1.00 0.00 C ATOM 1543 CD LYS A 138 10.418 2.535 -5.892 1.00 0.00 C ATOM 1544 CE LYS A 138 10.357 2.324 -7.397 1.00 0.00 C ATOM 1545 NZ LYS A 138 10.145 0.892 -7.753 1.00 0.00 N ATOM 0 H LYS A 138 9.675 0.231 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 138 9.145 0.370 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.656 1.827 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.881 0.584 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 138 12.382 2.296 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.809 0.901 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.453 2.289 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.608 3.587 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 138 9.549 2.925 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.283 2.677 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 10.780 0.631 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.349 0.295 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 9.158 0.750 -8.047 1.00 0.00 H new ATOM 1559 N THR A 139 10.789 -2.301 -4.052 1.00 0.00 N ATOM 1560 CA THR A 139 11.371 -3.528 -4.593 1.00 0.00 C ATOM 1561 C THR A 139 10.285 -4.541 -4.982 1.00 0.00 C ATOM 1562 O THR A 139 9.871 -5.358 -4.157 1.00 0.00 O ATOM 1563 CB THR A 139 12.327 -4.155 -3.567 1.00 0.00 C ATOM 1564 OG1 THR A 139 13.316 -3.223 -3.160 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.044 -5.394 -4.074 1.00 0.00 C ATOM 0 H THR A 139 10.599 -2.331 -3.050 1.00 0.00 H new ATOM 0 HA THR A 139 11.926 -3.265 -5.494 1.00 0.00 H new ATOM 0 HB THR A 139 11.689 -4.446 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 139 13.912 -3.643 -2.506 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.701 -5.779 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.311 -6.155 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.636 -5.138 -4.953 1.00 0.00 H new