USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=10 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= -0.257 K(o=-0.26,f=-1.9!) 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=-0.00866 X(o=-0.0087,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= -0.0729 K(o=-0.073,f=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0018 K(o=-0.0018,f=-1.4) USER MOD Single : A 107 SER OG : rot -130:sc= 0.108 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 -118:sc= 0.526 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -1.84 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -169:sc= -0.0069 (180deg=-0.118) USER MOD Single : A 139 THR OG1 : rot 57:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -5.147 -6.729 -8.232 1.00 0.00 N ATOM 92 CA ASN A 51 -5.025 -8.179 -8.390 1.00 0.00 C ATOM 93 C ASN A 51 -3.955 -8.756 -7.455 1.00 0.00 C ATOM 94 O ASN A 51 -3.330 -8.021 -6.685 1.00 0.00 O ATOM 95 CB ASN A 51 -4.691 -8.526 -9.846 1.00 0.00 C ATOM 96 CG ASN A 51 -5.899 -9.023 -10.622 1.00 0.00 C ATOM 97 OD1 ASN A 51 -6.834 -9.582 -10.047 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.887 -8.825 -11.936 1.00 0.00 N ATOM 0 HA ASN A 51 -5.983 -8.626 -8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.284 -7.644 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.913 -9.290 -9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.672 -9.140 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.093 -8.358 -12.374 1.00 0.00 H new ATOM 105 N PHE A 52 -3.751 -10.075 -7.532 1.00 0.00 N ATOM 106 CA PHE A 52 -2.757 -10.754 -6.698 1.00 0.00 C ATOM 107 C PHE A 52 -1.342 -10.387 -7.138 1.00 0.00 C ATOM 108 O PHE A 52 -1.071 -10.250 -8.332 1.00 0.00 O ATOM 109 CB PHE A 52 -2.934 -12.279 -6.758 1.00 0.00 C ATOM 110 CG PHE A 52 -4.365 -12.740 -6.658 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.213 -12.216 -5.696 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.859 -13.696 -7.531 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.526 -12.635 -5.606 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.172 -14.118 -7.446 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.005 -13.586 -6.484 1.00 0.00 C ATOM 0 H PHE A 52 -4.261 -10.693 -8.163 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.909 -10.423 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.511 -12.646 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.361 -12.732 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.843 -11.471 -5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.211 -14.116 -8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.176 -12.219 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.546 -14.864 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.032 -13.914 -6.418 1.00 0.00 H new ATOM 125 N GLY A 53 -0.443 -10.226 -6.163 1.00 0.00 N ATOM 126 CA GLY A 53 0.934 -9.871 -6.463 1.00 0.00 C ATOM 127 C GLY A 53 1.058 -8.488 -7.080 1.00 0.00 C ATOM 128 O GLY A 53 1.908 -8.263 -7.943 1.00 0.00 O ATOM 0 H GLY A 53 -0.648 -10.336 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.524 -9.911 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.355 -10.609 -7.146 1.00 0.00 H new ATOM 132 N ASP A 54 0.204 -7.560 -6.638 1.00 0.00 N ATOM 133 CA ASP A 54 0.213 -6.196 -7.154 1.00 0.00 C ATOM 134 C ASP A 54 0.350 -5.177 -6.023 1.00 0.00 C ATOM 135 O ASP A 54 -0.360 -5.248 -5.017 1.00 0.00 O ATOM 136 CB ASP A 54 -1.067 -5.925 -7.950 1.00 0.00 C ATOM 137 CG ASP A 54 -0.790 -5.232 -9.269 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.547 -5.939 -10.270 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.808 -3.985 -9.300 1.00 0.00 O ATOM 0 H ASP A 54 -0.502 -7.733 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 54 1.076 -6.091 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.581 -6.868 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.740 -5.309 -7.353 1.00 0.00 H new ATOM 144 N ARG A 55 1.268 -4.227 -6.203 1.00 0.00 N ATOM 145 CA ARG A 55 1.508 -3.179 -5.209 1.00 0.00 C ATOM 146 C ARG A 55 0.359 -2.171 -5.194 1.00 0.00 C ATOM 147 O ARG A 55 0.043 -1.559 -6.217 1.00 0.00 O ATOM 148 CB ARG A 55 2.842 -2.464 -5.479 1.00 0.00 C ATOM 149 CG ARG A 55 3.030 -2.007 -6.921 1.00 0.00 C ATOM 150 CD ARG A 55 3.985 -2.919 -7.679 1.00 0.00 C ATOM 151 NE ARG A 55 4.779 -2.190 -8.668 1.00 0.00 N ATOM 152 CZ ARG A 55 4.332 -1.838 -9.877 1.00 0.00 C ATOM 153 NH1 ARG A 55 3.084 -2.124 -10.248 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.134 -1.193 -10.718 1.00 0.00 N ATOM 0 H ARG A 55 1.860 -4.161 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 55 1.564 -3.653 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.915 -1.596 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.660 -3.134 -5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.064 -1.990 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.414 -0.987 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.652 -3.411 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.416 -3.703 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 55 5.734 -1.934 -8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.461 -2.616 -9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.752 -1.851 -11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.089 -0.967 -10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.794 -0.924 -11.641 1.00 0.00 H new ATOM 168 N ILE A 56 -0.266 -2.013 -4.027 1.00 0.00 N ATOM 169 CA ILE A 56 -1.392 -1.089 -3.870 1.00 0.00 C ATOM 170 C ILE A 56 -1.249 -0.242 -2.603 1.00 0.00 C ATOM 171 O ILE A 56 -0.601 -0.655 -1.639 1.00 0.00 O ATOM 172 CB ILE A 56 -2.740 -1.848 -3.825 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.726 -2.906 -2.713 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.034 -2.492 -5.176 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.041 -3.642 -2.558 1.00 0.00 C ATOM 0 H ILE A 56 -0.012 -2.513 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.382 -0.431 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.532 -1.132 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.937 -3.629 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.476 -2.424 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.985 -3.022 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.088 -1.720 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.239 -3.196 -5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.956 -4.373 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.831 -2.930 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.284 -4.153 -3.490 1.00 0.00 H new ATOM 187 N LEU A 57 -1.863 0.943 -2.608 1.00 0.00 N ATOM 188 CA LEU A 57 -1.807 1.842 -1.453 1.00 0.00 C ATOM 189 C LEU A 57 -3.006 1.628 -0.537 1.00 0.00 C ATOM 190 O LEU A 57 -4.139 1.515 -1.004 1.00 0.00 O ATOM 191 CB LEU A 57 -1.746 3.302 -1.907 1.00 0.00 C ATOM 192 CG LEU A 57 -0.728 4.162 -1.156 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.685 3.674 -1.431 1.00 0.00 C ATOM 194 CD2 LEU A 57 -0.879 5.625 -1.546 1.00 0.00 C ATOM 0 H LEU A 57 -2.403 1.302 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.900 1.611 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.509 3.328 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.734 3.747 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.918 4.072 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.397 4.297 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.783 2.640 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.890 3.735 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.148 6.224 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.714 5.735 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.884 5.966 -1.297 1.00 0.00 H new ATOM 206 N VAL A 58 -2.748 1.561 0.770 1.00 0.00 N ATOM 207 CA VAL A 58 -3.807 1.344 1.754 1.00 0.00 C ATOM 208 C VAL A 58 -3.825 2.442 2.817 1.00 0.00 C ATOM 209 O VAL A 58 -2.785 2.793 3.378 1.00 0.00 O ATOM 210 CB VAL A 58 -3.639 -0.024 2.450 1.00 0.00 C ATOM 211 CG1 VAL A 58 -4.748 -0.256 3.466 1.00 0.00 C ATOM 212 CG2 VAL A 58 -3.601 -1.145 1.421 1.00 0.00 C ATOM 0 H VAL A 58 -1.815 1.654 1.171 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.751 1.366 1.210 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.690 -0.021 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.608 -1.226 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.718 0.528 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.714 -0.236 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.482 -2.102 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.531 -1.149 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.762 -0.988 0.743 1.00 0.00 H new ATOM 222 N LYS A 59 -5.016 2.970 3.099 1.00 0.00 N ATOM 223 CA LYS A 59 -5.177 4.017 4.104 1.00 0.00 C ATOM 224 C LYS A 59 -5.815 3.454 5.373 1.00 0.00 C ATOM 225 O LYS A 59 -6.919 2.904 5.332 1.00 0.00 O ATOM 226 CB LYS A 59 -6.026 5.167 3.554 1.00 0.00 C ATOM 227 CG LYS A 59 -5.541 6.541 3.990 1.00 0.00 C ATOM 228 CD LYS A 59 -6.296 7.040 5.213 1.00 0.00 C ATOM 229 CE LYS A 59 -6.114 8.538 5.408 1.00 0.00 C ATOM 230 NZ LYS A 59 -7.078 9.091 6.402 1.00 0.00 N ATOM 0 H LYS A 59 -5.884 2.688 2.644 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.188 4.401 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.027 5.119 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.058 5.034 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.475 6.497 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.667 7.249 3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.356 6.812 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.945 6.511 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.095 8.740 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.245 9.047 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.921 10.114 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.050 8.921 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.936 8.624 7.320 1.00 0.00 H new ATOM 244 N ALA A 60 -5.110 3.592 6.497 1.00 0.00 N ATOM 245 CA ALA A 60 -5.599 3.099 7.783 1.00 0.00 C ATOM 246 C ALA A 60 -6.057 4.253 8.678 1.00 0.00 C ATOM 247 O ALA A 60 -5.747 5.413 8.410 1.00 0.00 O ATOM 248 CB ALA A 60 -4.511 2.289 8.476 1.00 0.00 C ATOM 0 H ALA A 60 -4.196 4.043 6.541 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.460 2.456 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.883 1.925 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.233 1.442 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.638 2.920 8.642 1.00 0.00 H new ATOM 254 N PRO A 61 -6.799 3.950 9.762 1.00 0.00 N ATOM 255 CA PRO A 61 -7.285 4.977 10.691 1.00 0.00 C ATOM 256 C PRO A 61 -6.153 5.595 11.506 1.00 0.00 C ATOM 257 O PRO A 61 -5.465 4.900 12.259 1.00 0.00 O ATOM 258 CB PRO A 61 -8.248 4.212 11.603 1.00 0.00 C ATOM 259 CG PRO A 61 -7.781 2.798 11.549 1.00 0.00 C ATOM 260 CD PRO A 61 -7.217 2.595 10.169 1.00 0.00 C ATOM 0 HA PRO A 61 -7.752 5.812 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.220 4.599 12.622 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.277 4.302 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.025 2.608 12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.604 2.109 11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.376 1.902 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.962 2.184 9.488 1.00 0.00 H new ATOM 268 N GLY A 62 -5.960 6.904 11.347 1.00 0.00 N ATOM 269 CA GLY A 62 -4.907 7.595 12.071 1.00 0.00 C ATOM 270 C GLY A 62 -3.643 7.789 11.246 1.00 0.00 C ATOM 271 O GLY A 62 -2.949 8.796 11.402 1.00 0.00 O ATOM 0 H GLY A 62 -6.515 7.497 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.275 8.568 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.663 7.031 12.971 1.00 0.00 H new ATOM 275 N TYR A 63 -3.343 6.825 10.373 1.00 0.00 N ATOM 276 CA TYR A 63 -2.153 6.896 9.527 1.00 0.00 C ATOM 277 C TYR A 63 -2.532 7.122 8.061 1.00 0.00 C ATOM 278 O TYR A 63 -3.592 6.689 7.612 1.00 0.00 O ATOM 279 CB TYR A 63 -1.333 5.609 9.669 1.00 0.00 C ATOM 280 CG TYR A 63 -0.800 5.370 11.068 1.00 0.00 C ATOM 281 CD1 TYR A 63 0.262 6.117 11.566 1.00 0.00 C ATOM 282 CD2 TYR A 63 -1.357 4.396 11.888 1.00 0.00 C ATOM 283 CE1 TYR A 63 0.752 5.901 12.839 1.00 0.00 C ATOM 284 CE2 TYR A 63 -0.872 4.174 13.165 1.00 0.00 C ATOM 285 CZ TYR A 63 0.182 4.928 13.636 1.00 0.00 C ATOM 286 OH TYR A 63 0.670 4.708 14.904 1.00 0.00 O ATOM 0 H TYR A 63 -3.908 5.987 10.235 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.551 7.743 9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.953 4.761 9.377 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.495 5.645 8.973 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.711 6.879 10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.182 3.802 11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.577 6.491 13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.317 3.414 13.790 1.00 0.00 H new ATOM 0 HH TYR A 63 0.157 3.991 15.332 1.00 0.00 H new ATOM 296 N PRO A 64 -1.664 7.807 7.290 1.00 0.00 N ATOM 297 CA PRO A 64 -1.915 8.084 5.867 1.00 0.00 C ATOM 298 C PRO A 64 -1.821 6.826 5.001 1.00 0.00 C ATOM 299 O PRO A 64 -1.670 5.715 5.516 1.00 0.00 O ATOM 300 CB PRO A 64 -0.810 9.080 5.501 1.00 0.00 C ATOM 301 CG PRO A 64 0.290 8.803 6.466 1.00 0.00 C ATOM 302 CD PRO A 64 -0.371 8.359 7.742 1.00 0.00 C ATOM 0 HA PRO A 64 -2.922 8.465 5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.478 8.941 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.161 10.108 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.957 8.030 6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.896 9.694 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.225 7.609 8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.510 9.191 8.432 1.00 0.00 H new ATOM 310 N TRP A 65 -1.907 7.005 3.680 1.00 0.00 N ATOM 311 CA TRP A 65 -1.828 5.882 2.746 1.00 0.00 C ATOM 312 C TRP A 65 -0.448 5.228 2.810 1.00 0.00 C ATOM 313 O TRP A 65 0.566 5.874 2.536 1.00 0.00 O ATOM 314 CB TRP A 65 -2.115 6.340 1.312 1.00 0.00 C ATOM 315 CG TRP A 65 -3.474 6.952 1.128 1.00 0.00 C ATOM 316 CD1 TRP A 65 -3.841 8.233 1.424 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.644 6.310 0.601 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.168 8.424 1.121 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.681 7.260 0.613 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.914 5.025 0.121 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -6.967 6.968 0.166 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.191 4.735 -0.324 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.204 5.703 -0.298 1.00 0.00 C ATOM 0 H TRP A 65 -2.031 7.915 3.236 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.584 5.153 3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.358 7.065 1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.019 5.486 0.642 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.185 8.986 1.836 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.687 9.292 1.253 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.140 4.273 0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.749 7.713 0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.411 3.746 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.191 5.445 -0.651 1.00 0.00 H new ATOM 334 N TRP A 66 -0.415 3.946 3.176 1.00 0.00 N ATOM 335 CA TRP A 66 0.840 3.209 3.279 1.00 0.00 C ATOM 336 C TRP A 66 1.014 2.246 2.104 1.00 0.00 C ATOM 337 O TRP A 66 0.056 1.598 1.673 1.00 0.00 O ATOM 338 CB TRP A 66 0.897 2.439 4.600 1.00 0.00 C ATOM 339 CG TRP A 66 2.280 2.335 5.160 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.068 1.222 5.197 1.00 0.00 C ATOM 341 CD2 TRP A 66 3.047 3.389 5.755 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.278 1.519 5.774 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.289 2.842 6.128 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.805 4.743 6.008 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.283 3.599 6.737 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.796 5.493 6.612 1.00 0.00 C ATOM 347 CH2 TRP A 66 5.022 4.919 6.970 1.00 0.00 C ATOM 0 H TRP A 66 -1.244 3.399 3.406 1.00 0.00 H new ATOM 0 HA TRP A 66 1.656 3.931 3.251 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.253 2.931 5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.497 1.437 4.447 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.782 0.249 4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.044 0.861 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.862 5.194 5.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.229 3.159 7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.622 6.540 6.811 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.776 5.533 7.440 1.00 0.00 H new ATOM 358 N PRO A 67 2.249 2.140 1.570 1.00 0.00 N ATOM 359 CA PRO A 67 2.555 1.256 0.440 1.00 0.00 C ATOM 360 C PRO A 67 2.534 -0.223 0.832 1.00 0.00 C ATOM 361 O PRO A 67 3.460 -0.722 1.478 1.00 0.00 O ATOM 362 CB PRO A 67 3.963 1.690 0.023 1.00 0.00 C ATOM 363 CG PRO A 67 4.566 2.250 1.262 1.00 0.00 C ATOM 364 CD PRO A 67 3.439 2.884 2.028 1.00 0.00 C ATOM 0 HA PRO A 67 1.817 1.341 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.542 0.847 -0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.929 2.434 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.044 1.467 1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.335 2.984 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.582 2.789 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.355 3.949 1.810 1.00 0.00 H new ATOM 372 N ALA A 68 1.472 -0.916 0.427 1.00 0.00 N ATOM 373 CA ALA A 68 1.311 -2.339 0.716 1.00 0.00 C ATOM 374 C ALA A 68 1.271 -3.150 -0.581 1.00 0.00 C ATOM 375 O ALA A 68 1.277 -2.586 -1.677 1.00 0.00 O ATOM 376 CB ALA A 68 0.048 -2.568 1.533 1.00 0.00 C ATOM 0 H ALA A 68 0.704 -0.510 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 68 2.168 -2.676 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.062 -3.632 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.117 -2.019 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.818 -2.218 0.971 1.00 0.00 H new ATOM 382 N LEU A 69 1.229 -4.471 -0.452 1.00 0.00 N ATOM 383 CA LEU A 69 1.184 -5.354 -1.617 1.00 0.00 C ATOM 384 C LEU A 69 0.056 -6.372 -1.482 1.00 0.00 C ATOM 385 O LEU A 69 -0.001 -7.120 -0.505 1.00 0.00 O ATOM 386 CB LEU A 69 2.528 -6.066 -1.799 1.00 0.00 C ATOM 387 CG LEU A 69 3.382 -5.543 -2.957 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.854 -5.512 -2.573 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.172 -6.390 -4.203 1.00 0.00 C ATOM 0 H LEU A 69 1.225 -4.956 0.445 1.00 0.00 H new ATOM 0 HA LEU A 69 0.990 -4.745 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.099 -5.975 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.342 -7.129 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 69 3.067 -4.523 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.441 -5.137 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.992 -4.858 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.185 -6.519 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.788 -6.002 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.455 -7.422 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.122 -6.354 -4.495 1.00 0.00 H new ATOM 401 N LEU A 70 -0.846 -6.388 -2.465 1.00 0.00 N ATOM 402 CA LEU A 70 -1.987 -7.309 -2.453 1.00 0.00 C ATOM 403 C LEU A 70 -1.536 -8.767 -2.521 1.00 0.00 C ATOM 404 O LEU A 70 -0.763 -9.149 -3.403 1.00 0.00 O ATOM 405 CB LEU A 70 -2.934 -7.006 -3.619 1.00 0.00 C ATOM 406 CG LEU A 70 -4.423 -7.205 -3.316 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.273 -6.280 -4.174 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.822 -8.658 -3.540 1.00 0.00 C ATOM 0 H LEU A 70 -0.810 -5.775 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.514 -7.160 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.778 -5.974 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.663 -7.642 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.597 -6.956 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.327 -6.437 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.006 -5.244 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.096 -6.496 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.882 -8.782 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.632 -8.932 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.238 -9.301 -2.882 1.00 0.00 H new ATOM 420 N LEU A 71 -2.035 -9.578 -1.585 1.00 0.00 N ATOM 421 CA LEU A 71 -1.698 -10.998 -1.532 1.00 0.00 C ATOM 422 C LEU A 71 -2.856 -11.855 -2.049 1.00 0.00 C ATOM 423 O LEU A 71 -2.690 -12.629 -2.993 1.00 0.00 O ATOM 424 CB LEU A 71 -1.357 -11.418 -0.099 1.00 0.00 C ATOM 425 CG LEU A 71 0.076 -11.120 0.351 1.00 0.00 C ATOM 426 CD1 LEU A 71 0.124 -9.845 1.180 1.00 0.00 C ATOM 427 CD2 LEU A 71 0.640 -12.293 1.142 1.00 0.00 C ATOM 0 H LEU A 71 -2.676 -9.272 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.829 -11.155 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.045 -10.916 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.535 -12.489 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 71 0.691 -10.974 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.151 -9.651 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.239 -9.009 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.506 -9.961 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.659 -12.065 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.022 -12.469 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.643 -13.186 0.516 1.00 0.00 H new ATOM 439 N ARG A 72 -4.028 -11.712 -1.420 1.00 0.00 N ATOM 440 CA ARG A 72 -5.210 -12.479 -1.815 1.00 0.00 C ATOM 441 C ARG A 72 -6.502 -11.758 -1.441 1.00 0.00 C ATOM 442 O ARG A 72 -6.547 -10.995 -0.474 1.00 0.00 O ATOM 443 CB ARG A 72 -5.188 -13.862 -1.157 1.00 0.00 C ATOM 444 CG ARG A 72 -4.756 -14.983 -2.092 1.00 0.00 C ATOM 445 CD ARG A 72 -5.885 -15.974 -2.345 1.00 0.00 C ATOM 446 NE ARG A 72 -6.420 -16.542 -1.105 1.00 0.00 N ATOM 447 CZ ARG A 72 -7.265 -17.576 -1.063 1.00 0.00 C ATOM 448 NH1 ARG A 72 -7.655 -18.175 -2.184 1.00 0.00 N ATOM 449 NH2 ARG A 72 -7.718 -18.017 0.106 1.00 0.00 N ATOM 0 H ARG A 72 -4.181 -11.074 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.182 -12.587 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.513 -13.836 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.183 -14.086 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.425 -14.559 -3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.902 -15.507 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.687 -15.475 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.521 -16.780 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.130 -16.123 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.309 -17.846 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.300 -18.964 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.421 -17.566 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.363 -18.806 0.138 1.00 0.00 H new ATOM 463 N ARG A 73 -7.558 -12.023 -2.211 1.00 0.00 N ATOM 464 CA ARG A 73 -8.865 -11.422 -1.970 1.00 0.00 C ATOM 465 C ARG A 73 -9.821 -12.457 -1.384 1.00 0.00 C ATOM 466 O ARG A 73 -10.434 -13.237 -2.117 1.00 0.00 O ATOM 467 CB ARG A 73 -9.435 -10.852 -3.273 1.00 0.00 C ATOM 468 CG ARG A 73 -10.608 -9.900 -3.069 1.00 0.00 C ATOM 469 CD ARG A 73 -11.929 -10.538 -3.472 1.00 0.00 C ATOM 470 NE ARG A 73 -11.899 -11.057 -4.844 1.00 0.00 N ATOM 471 CZ ARG A 73 -12.038 -12.350 -5.173 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.198 -13.282 -4.235 1.00 0.00 N ATOM 473 NH2 ARG A 73 -12.002 -12.716 -6.451 1.00 0.00 N ATOM 0 H ARG A 73 -7.530 -12.655 -3.011 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.749 -10.608 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.642 -10.327 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.755 -11.677 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.654 -9.599 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.448 -8.995 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.163 -11.350 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.728 -9.802 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.763 -10.387 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.216 -13.017 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.302 -14.261 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.869 -12.014 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.107 -13.699 -6.703 1.00 0.00 H new ATOM 487 N LYS A 74 -9.940 -12.465 -0.060 1.00 0.00 N ATOM 488 CA LYS A 74 -10.821 -13.409 0.626 1.00 0.00 C ATOM 489 C LYS A 74 -12.207 -12.808 0.839 1.00 0.00 C ATOM 490 O LYS A 74 -12.338 -11.675 1.309 1.00 0.00 O ATOM 491 CB LYS A 74 -10.222 -13.834 1.971 1.00 0.00 C ATOM 492 CG LYS A 74 -9.651 -12.682 2.784 1.00 0.00 C ATOM 493 CD LYS A 74 -9.768 -12.939 4.279 1.00 0.00 C ATOM 494 CE LYS A 74 -10.753 -11.983 4.937 1.00 0.00 C ATOM 495 NZ LYS A 74 -11.321 -12.544 6.196 1.00 0.00 N ATOM 0 H LYS A 74 -9.439 -11.830 0.561 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.919 -14.290 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.992 -14.334 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.433 -14.565 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.604 -12.534 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.177 -11.761 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.090 -13.967 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.789 -12.831 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.252 -11.040 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.562 -11.761 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.986 -11.861 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.821 -13.431 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.552 -12.732 6.870 1.00 0.00 H new ATOM 509 N GLU A 75 -13.237 -13.577 0.490 1.00 0.00 N ATOM 510 CA GLU A 75 -14.616 -13.130 0.638 1.00 0.00 C ATOM 511 C GLU A 75 -15.309 -13.866 1.780 1.00 0.00 C ATOM 512 O GLU A 75 -15.699 -15.029 1.636 1.00 0.00 O ATOM 513 CB GLU A 75 -15.386 -13.353 -0.667 1.00 0.00 C ATOM 514 CG GLU A 75 -16.300 -12.199 -1.042 1.00 0.00 C ATOM 515 CD GLU A 75 -17.363 -12.602 -2.044 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.352 -13.246 -1.632 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.210 -12.274 -3.238 1.00 0.00 O ATOM 0 H GLU A 75 -13.139 -14.515 0.102 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.604 -12.065 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.673 -13.518 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.981 -14.262 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.781 -11.813 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.703 -11.387 -1.457 1.00 0.00 H new ATOM 524 N THR A 76 -15.476 -13.181 2.911 1.00 0.00 N ATOM 525 CA THR A 76 -16.137 -13.771 4.070 1.00 0.00 C ATOM 526 C THR A 76 -17.560 -13.235 4.200 1.00 0.00 C ATOM 527 O THR A 76 -17.818 -12.058 3.941 1.00 0.00 O ATOM 528 CB THR A 76 -15.333 -13.504 5.351 1.00 0.00 C ATOM 529 OG1 THR A 76 -15.890 -14.205 6.452 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.246 -12.040 5.730 1.00 0.00 C ATOM 0 H THR A 76 -15.163 -12.220 3.047 1.00 0.00 H new ATOM 0 HA THR A 76 -16.188 -14.850 3.925 1.00 0.00 H new ATOM 0 HB THR A 76 -14.326 -13.854 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.362 -14.022 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.663 -11.935 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.764 -11.484 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.249 -11.646 5.892 1.00 0.00 H new ATOM 666 N PHE A 86 -22.285 -9.409 3.220 1.00 0.00 N ATOM 667 CA PHE A 86 -20.980 -9.885 2.759 1.00 0.00 C ATOM 668 C PHE A 86 -19.871 -8.953 3.242 1.00 0.00 C ATOM 669 O PHE A 86 -20.076 -7.744 3.370 1.00 0.00 O ATOM 670 CB PHE A 86 -20.941 -9.982 1.229 1.00 0.00 C ATOM 671 CG PHE A 86 -21.940 -10.947 0.652 1.00 0.00 C ATOM 672 CD1 PHE A 86 -21.628 -12.290 0.517 1.00 0.00 C ATOM 673 CD2 PHE A 86 -23.190 -10.509 0.245 1.00 0.00 C ATOM 674 CE1 PHE A 86 -22.544 -13.179 -0.014 1.00 0.00 C ATOM 675 CE2 PHE A 86 -24.110 -11.391 -0.286 1.00 0.00 C ATOM 676 CZ PHE A 86 -23.788 -12.728 -0.415 1.00 0.00 C ATOM 0 HA PHE A 86 -20.820 -10.879 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.121 -8.993 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.940 -10.283 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -20.658 -12.647 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -23.448 -9.465 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -22.288 -14.223 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -25.080 -11.036 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 86 -24.507 -13.420 -0.828 1.00 0.00 H new ATOM 686 N ASN A 87 -18.696 -9.521 3.509 1.00 0.00 N ATOM 687 CA ASN A 87 -17.556 -8.740 3.977 1.00 0.00 C ATOM 688 C ASN A 87 -16.273 -9.179 3.276 1.00 0.00 C ATOM 689 O ASN A 87 -15.489 -9.964 3.812 1.00 0.00 O ATOM 690 CB ASN A 87 -17.406 -8.884 5.497 1.00 0.00 C ATOM 691 CG ASN A 87 -17.237 -7.547 6.193 1.00 0.00 C ATOM 692 OD1 ASN A 87 -16.188 -7.263 6.770 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.273 -6.715 6.145 1.00 0.00 N ATOM 0 H ASN A 87 -18.510 -10.519 3.409 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.735 -7.692 3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.283 -9.391 5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.545 -9.515 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -18.216 -5.803 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -19.125 -6.989 5.656 1.00 0.00 H new ATOM 700 N VAL A 88 -16.061 -8.655 2.073 1.00 0.00 N ATOM 701 CA VAL A 88 -14.869 -8.981 1.293 1.00 0.00 C ATOM 702 C VAL A 88 -13.792 -7.917 1.489 1.00 0.00 C ATOM 703 O VAL A 88 -14.086 -6.719 1.512 1.00 0.00 O ATOM 704 CB VAL A 88 -15.193 -9.124 -0.210 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.898 -7.881 -0.738 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.931 -9.416 -1.012 1.00 0.00 C ATOM 0 H VAL A 88 -16.698 -8.003 1.616 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.498 -9.940 1.654 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.871 -9.969 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.115 -8.008 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.830 -7.732 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.255 -7.012 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.185 -9.512 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.221 -8.599 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.483 -10.345 -0.660 1.00 0.00 H new ATOM 716 N LEU A 89 -12.547 -8.363 1.636 1.00 0.00 N ATOM 717 CA LEU A 89 -11.425 -7.448 1.838 1.00 0.00 C ATOM 718 C LEU A 89 -10.224 -7.828 0.976 1.00 0.00 C ATOM 719 O LEU A 89 -10.241 -8.835 0.262 1.00 0.00 O ATOM 720 CB LEU A 89 -11.001 -7.419 3.314 1.00 0.00 C ATOM 721 CG LEU A 89 -12.103 -7.729 4.333 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.520 -8.393 5.574 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.854 -6.457 4.702 1.00 0.00 C ATOM 0 H LEU A 89 -12.289 -9.350 1.619 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.767 -6.457 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.192 -8.136 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.595 -6.432 3.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.808 -8.426 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.320 -8.604 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.030 -9.325 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.792 -7.726 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.634 -6.692 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.160 -5.738 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.307 -6.029 3.807 1.00 0.00 H new ATOM 735 N TYR A 90 -9.178 -7.005 1.060 1.00 0.00 N ATOM 736 CA TYR A 90 -7.947 -7.218 0.310 1.00 0.00 C ATOM 737 C TYR A 90 -6.774 -7.456 1.258 1.00 0.00 C ATOM 738 O TYR A 90 -6.269 -6.516 1.876 1.00 0.00 O ATOM 739 CB TYR A 90 -7.656 -6.001 -0.572 1.00 0.00 C ATOM 740 CG TYR A 90 -8.141 -6.153 -1.994 1.00 0.00 C ATOM 741 CD1 TYR A 90 -8.022 -7.365 -2.658 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.717 -5.086 -2.670 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.461 -7.512 -3.955 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.160 -5.225 -3.968 1.00 0.00 C ATOM 745 CZ TYR A 90 -9.031 -6.439 -4.609 1.00 0.00 C ATOM 746 OH TYR A 90 -9.471 -6.582 -5.905 1.00 0.00 O ATOM 0 H TYR A 90 -9.164 -6.173 1.650 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.074 -8.100 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.125 -5.122 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.581 -5.819 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.578 -8.208 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.820 -4.133 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.360 -8.462 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.607 -4.386 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.847 -5.733 -6.218 1.00 0.00 H new ATOM 756 N LYS A 91 -6.344 -8.712 1.366 1.00 0.00 N ATOM 757 CA LYS A 91 -5.228 -9.065 2.238 1.00 0.00 C ATOM 758 C LYS A 91 -3.914 -8.566 1.636 1.00 0.00 C ATOM 759 O LYS A 91 -3.400 -9.152 0.683 1.00 0.00 O ATOM 760 CB LYS A 91 -5.168 -10.585 2.445 1.00 0.00 C ATOM 761 CG LYS A 91 -6.466 -11.191 2.966 1.00 0.00 C ATOM 762 CD LYS A 91 -6.201 -12.351 3.917 1.00 0.00 C ATOM 763 CE LYS A 91 -6.427 -13.697 3.241 1.00 0.00 C ATOM 764 NZ LYS A 91 -5.463 -14.733 3.712 1.00 0.00 N ATOM 0 H LYS A 91 -6.751 -9.499 0.861 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.379 -8.588 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.911 -11.060 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.365 -10.815 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.046 -10.424 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.069 -11.538 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.176 -12.295 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.854 -12.266 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.445 -14.034 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.333 -13.580 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.654 -15.632 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.492 -14.425 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.569 -14.865 4.738 1.00 0.00 H new ATOM 778 N VAL A 92 -3.388 -7.468 2.183 1.00 0.00 N ATOM 779 CA VAL A 92 -2.145 -6.885 1.677 1.00 0.00 C ATOM 780 C VAL A 92 -1.023 -6.916 2.717 1.00 0.00 C ATOM 781 O VAL A 92 -1.274 -6.973 3.924 1.00 0.00 O ATOM 782 CB VAL A 92 -2.354 -5.427 1.211 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.420 -5.353 0.127 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.715 -4.526 2.386 1.00 0.00 C ATOM 0 H VAL A 92 -3.800 -6.968 2.971 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.850 -7.501 0.828 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.414 -5.071 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.550 -4.317 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.111 -5.954 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.363 -5.735 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.857 -3.505 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.636 -4.881 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.910 -4.546 3.121 1.00 0.00 H new ATOM 794 N LEU A 93 0.218 -6.865 2.226 1.00 0.00 N ATOM 795 CA LEU A 93 1.399 -6.874 3.084 1.00 0.00 C ATOM 796 C LEU A 93 1.993 -5.473 3.174 1.00 0.00 C ATOM 797 O LEU A 93 2.151 -4.793 2.161 1.00 0.00 O ATOM 798 CB LEU A 93 2.448 -7.851 2.538 1.00 0.00 C ATOM 799 CG LEU A 93 2.780 -9.034 3.451 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.316 -10.204 2.637 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.784 -8.625 4.521 1.00 0.00 C ATOM 0 H LEU A 93 0.429 -6.817 1.229 1.00 0.00 H new ATOM 0 HA LEU A 93 1.101 -7.199 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.096 -8.239 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.366 -7.298 2.339 1.00 0.00 H new ATOM 0 HG LEU A 93 1.862 -9.350 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.546 -11.035 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.565 -10.517 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.221 -9.898 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.005 -9.481 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.702 -8.280 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.364 -7.821 5.126 1.00 0.00 H new ATOM 813 N PHE A 94 2.314 -5.044 4.390 1.00 0.00 N ATOM 814 CA PHE A 94 2.886 -3.718 4.612 1.00 0.00 C ATOM 815 C PHE A 94 4.415 -3.780 4.653 1.00 0.00 C ATOM 816 O PHE A 94 4.993 -4.845 4.857 1.00 0.00 O ATOM 817 CB PHE A 94 2.349 -3.132 5.921 1.00 0.00 C ATOM 818 CG PHE A 94 1.094 -2.319 5.757 1.00 0.00 C ATOM 819 CD1 PHE A 94 0.023 -2.805 5.022 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.986 -1.067 6.341 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.130 -2.059 4.875 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.164 -0.317 6.197 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.223 -0.812 5.463 1.00 0.00 C ATOM 0 H PHE A 94 2.188 -5.595 5.239 1.00 0.00 H new ATOM 0 HA PHE A 94 2.594 -3.075 3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.154 -3.946 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.120 -2.505 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.091 -3.778 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.811 -0.673 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.958 -2.450 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.235 0.657 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.123 -0.226 5.348 1.00 0.00 H new ATOM 833 N PHE A 95 5.063 -2.628 4.456 1.00 0.00 N ATOM 834 CA PHE A 95 6.527 -2.547 4.466 1.00 0.00 C ATOM 835 C PHE A 95 6.992 -1.203 5.035 1.00 0.00 C ATOM 836 O PHE A 95 6.231 -0.235 5.044 1.00 0.00 O ATOM 837 CB PHE A 95 7.084 -2.721 3.047 1.00 0.00 C ATOM 838 CG PHE A 95 6.456 -3.846 2.267 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.317 -3.628 1.508 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.004 -5.118 2.297 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.737 -4.658 0.793 1.00 0.00 C ATOM 842 CE2 PHE A 95 6.429 -6.151 1.584 1.00 0.00 C ATOM 843 CZ PHE A 95 5.294 -5.921 0.832 1.00 0.00 C ATOM 0 H PHE A 95 4.596 -1.737 4.287 1.00 0.00 H new ATOM 0 HA PHE A 95 6.903 -3.350 5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.942 -1.790 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.158 -2.894 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.878 -2.642 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.891 -5.304 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.850 -4.476 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.866 -7.138 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.842 -6.728 0.275 1.00 0.00 H new ATOM 853 N PRO A 96 8.253 -1.115 5.517 1.00 0.00 N ATOM 854 CA PRO A 96 9.210 -2.230 5.534 1.00 0.00 C ATOM 855 C PRO A 96 8.998 -3.194 6.706 1.00 0.00 C ATOM 856 O PRO A 96 9.364 -4.367 6.619 1.00 0.00 O ATOM 857 CB PRO A 96 10.574 -1.536 5.679 1.00 0.00 C ATOM 858 CG PRO A 96 10.302 -0.065 5.738 1.00 0.00 C ATOM 859 CD PRO A 96 8.851 0.094 6.088 1.00 0.00 C ATOM 0 HA PRO A 96 9.107 -2.844 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.085 -1.872 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.222 -1.777 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.935 0.415 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.523 0.408 4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.698 0.153 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.426 1.000 5.656 1.00 0.00 H new ATOM 867 N ASP A 97 8.429 -2.680 7.805 1.00 0.00 N ATOM 868 CA ASP A 97 8.179 -3.471 9.019 1.00 0.00 C ATOM 869 C ASP A 97 7.620 -4.867 8.712 1.00 0.00 C ATOM 870 O ASP A 97 7.866 -5.812 9.462 1.00 0.00 O ATOM 871 CB ASP A 97 7.216 -2.725 9.947 1.00 0.00 C ATOM 872 CG ASP A 97 7.630 -2.815 11.403 1.00 0.00 C ATOM 873 OD1 ASP A 97 7.275 -3.815 12.064 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.311 -1.885 11.885 1.00 0.00 O ATOM 0 H ASP A 97 8.130 -1.708 7.878 1.00 0.00 H new ATOM 0 HA ASP A 97 9.143 -3.606 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.168 -1.677 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.213 -3.136 9.831 1.00 0.00 H new ATOM 879 N PHE A 98 6.860 -4.982 7.617 1.00 0.00 N ATOM 880 CA PHE A 98 6.258 -6.253 7.211 1.00 0.00 C ATOM 881 C PHE A 98 5.051 -6.585 8.087 1.00 0.00 C ATOM 882 O PHE A 98 5.135 -7.410 9.001 1.00 0.00 O ATOM 883 CB PHE A 98 7.287 -7.394 7.246 1.00 0.00 C ATOM 884 CG PHE A 98 7.485 -8.061 5.912 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.176 -7.416 4.898 1.00 0.00 C ATOM 886 CD2 PHE A 98 6.976 -9.327 5.671 1.00 0.00 C ATOM 887 CE1 PHE A 98 8.360 -8.023 3.670 1.00 0.00 C ATOM 888 CE2 PHE A 98 7.156 -9.939 4.446 1.00 0.00 C ATOM 889 CZ PHE A 98 7.848 -9.286 3.443 1.00 0.00 C ATOM 0 H PHE A 98 6.647 -4.203 6.994 1.00 0.00 H new ATOM 0 HA PHE A 98 5.915 -6.145 6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.243 -7.001 7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.967 -8.140 7.973 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.575 -6.427 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.432 -9.841 6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.903 -7.511 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.756 -10.927 4.272 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.988 -9.762 2.484 1.00 0.00 H new ATOM 899 N ASN A 99 3.929 -5.927 7.798 1.00 0.00 N ATOM 900 CA ASN A 99 2.693 -6.137 8.549 1.00 0.00 C ATOM 901 C ASN A 99 1.539 -6.504 7.614 1.00 0.00 C ATOM 902 O ASN A 99 1.733 -6.664 6.408 1.00 0.00 O ATOM 903 CB ASN A 99 2.331 -4.875 9.342 1.00 0.00 C ATOM 904 CG ASN A 99 3.078 -4.764 10.663 1.00 0.00 C ATOM 905 OD1 ASN A 99 3.416 -5.770 11.286 1.00 0.00 O ATOM 906 ND2 ASN A 99 3.336 -3.534 11.101 1.00 0.00 N ATOM 0 H ASN A 99 3.851 -5.242 7.046 1.00 0.00 H new ATOM 0 HA ASN A 99 2.857 -6.963 9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.548 -3.997 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.259 -4.871 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.831 -3.400 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.039 -2.725 10.555 1.00 0.00 H new ATOM 913 N PHE A 100 0.339 -6.646 8.181 1.00 0.00 N ATOM 914 CA PHE A 100 -0.839 -7.000 7.405 1.00 0.00 C ATOM 915 C PHE A 100 -1.962 -5.983 7.558 1.00 0.00 C ATOM 916 O PHE A 100 -1.955 -5.160 8.478 1.00 0.00 O ATOM 917 CB PHE A 100 -1.340 -8.374 7.823 1.00 0.00 C ATOM 918 CG PHE A 100 -1.587 -9.258 6.653 1.00 0.00 C ATOM 919 CD1 PHE A 100 -0.551 -9.583 5.804 1.00 0.00 C ATOM 920 CD2 PHE A 100 -2.851 -9.746 6.392 1.00 0.00 C ATOM 921 CE1 PHE A 100 -0.766 -10.387 4.710 1.00 0.00 C ATOM 922 CE2 PHE A 100 -3.078 -10.552 5.300 1.00 0.00 C ATOM 923 CZ PHE A 100 -2.035 -10.876 4.453 1.00 0.00 C ATOM 0 H PHE A 100 0.163 -6.520 9.178 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.543 -7.009 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.608 -8.841 8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.261 -8.265 8.396 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.440 -9.202 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.669 -9.493 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.054 -10.637 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.070 -10.931 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.209 -11.508 3.595 1.00 0.00 H new ATOM 933 N ALA A 101 -2.939 -6.063 6.652 1.00 0.00 N ATOM 934 CA ALA A 101 -4.091 -5.169 6.674 1.00 0.00 C ATOM 935 C ALA A 101 -5.161 -5.611 5.680 1.00 0.00 C ATOM 936 O ALA A 101 -4.862 -5.913 4.522 1.00 0.00 O ATOM 937 CB ALA A 101 -3.662 -3.736 6.387 1.00 0.00 C ATOM 0 H ALA A 101 -2.952 -6.743 5.892 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.524 -5.214 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.535 -3.084 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.948 -3.411 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.195 -3.686 5.403 1.00 0.00 H new ATOM 943 N TRP A 102 -6.409 -5.638 6.143 1.00 0.00 N ATOM 944 CA TRP A 102 -7.540 -6.030 5.303 1.00 0.00 C ATOM 945 C TRP A 102 -8.418 -4.818 4.996 1.00 0.00 C ATOM 946 O TRP A 102 -8.971 -4.195 5.901 1.00 0.00 O ATOM 947 CB TRP A 102 -8.376 -7.129 5.977 1.00 0.00 C ATOM 948 CG TRP A 102 -8.566 -6.946 7.456 1.00 0.00 C ATOM 949 CD1 TRP A 102 -7.755 -7.410 8.453 1.00 0.00 C ATOM 950 CD2 TRP A 102 -9.642 -6.257 8.104 1.00 0.00 C ATOM 951 NE1 TRP A 102 -8.260 -7.047 9.680 1.00 0.00 N ATOM 952 CE2 TRP A 102 -9.418 -6.340 9.491 1.00 0.00 C ATOM 953 CE3 TRP A 102 -10.772 -5.572 7.646 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -10.284 -5.768 10.422 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -11.631 -5.006 8.569 1.00 0.00 C ATOM 956 CH2 TRP A 102 -11.382 -5.106 9.944 1.00 0.00 C ATOM 0 H TRP A 102 -6.664 -5.392 7.100 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.143 -6.428 4.369 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.355 -7.168 5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.897 -8.092 5.801 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.850 -7.979 8.300 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.841 -7.268 10.583 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -10.970 -5.487 6.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -10.095 -5.845 11.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.508 -4.478 8.225 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.071 -4.651 10.641 1.00 0.00 H new ATOM 967 N VAL A 103 -8.527 -4.480 3.712 1.00 0.00 N ATOM 968 CA VAL A 103 -9.325 -3.331 3.288 1.00 0.00 C ATOM 969 C VAL A 103 -10.433 -3.752 2.328 1.00 0.00 C ATOM 970 O VAL A 103 -10.269 -4.693 1.555 1.00 0.00 O ATOM 971 CB VAL A 103 -8.444 -2.263 2.610 1.00 0.00 C ATOM 972 CG1 VAL A 103 -9.226 -0.979 2.381 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.197 -1.991 3.438 1.00 0.00 C ATOM 0 H VAL A 103 -8.074 -4.984 2.949 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.775 -2.906 4.185 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.134 -2.648 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.582 -0.242 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.083 -1.184 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.574 -0.589 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.589 -1.234 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.487 -1.633 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.620 -2.910 3.540 1.00 0.00 H new ATOM 983 N LYS A 104 -11.562 -3.048 2.382 1.00 0.00 N ATOM 984 CA LYS A 104 -12.700 -3.357 1.516 1.00 0.00 C ATOM 985 C LYS A 104 -12.592 -2.654 0.154 1.00 0.00 C ATOM 986 O LYS A 104 -13.611 -2.334 -0.459 1.00 0.00 O ATOM 987 CB LYS A 104 -14.008 -2.941 2.198 1.00 0.00 C ATOM 988 CG LYS A 104 -14.488 -3.914 3.259 1.00 0.00 C ATOM 989 CD LYS A 104 -15.744 -3.402 3.945 1.00 0.00 C ATOM 990 CE LYS A 104 -15.777 -3.800 5.412 1.00 0.00 C ATOM 991 NZ LYS A 104 -16.266 -2.694 6.282 1.00 0.00 N ATOM 0 H LYS A 104 -11.714 -2.262 3.014 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.694 -4.433 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.872 -1.960 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.784 -2.835 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.689 -4.884 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.702 -4.066 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.790 -2.316 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.624 -3.799 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.421 -4.670 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -14.777 -4.095 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -16.272 -3.009 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.637 -1.871 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.230 -2.429 5.997 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.358 -2.413 -0.312 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.114 -1.747 -1.598 1.00 0.00 C ATOM 1007 C ARG A 105 -11.361 -0.234 -1.534 1.00 0.00 C ATOM 1008 O ARG A 105 -10.813 0.516 -2.342 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.976 -2.360 -2.708 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.896 -3.877 -2.780 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.270 -4.516 -2.668 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.114 -4.224 -3.829 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.208 -4.920 -4.149 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.593 -5.952 -3.404 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -15.923 -4.582 -5.217 1.00 0.00 N ATOM 0 H ARG A 105 -10.508 -2.672 0.188 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.060 -1.904 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.014 -2.067 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.668 -1.943 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.432 -4.173 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.256 -4.247 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.159 -5.595 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.762 -4.158 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.850 -3.442 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.052 -6.217 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.430 -6.478 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.636 -3.791 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.758 -5.114 -5.461 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.188 0.213 -0.583 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.496 1.635 -0.442 1.00 0.00 C ATOM 1031 C ASN A 106 -11.279 2.416 0.035 1.00 0.00 C ATOM 1032 O ASN A 106 -11.003 3.511 -0.457 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.661 1.838 0.531 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.991 1.378 -0.043 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.040 0.704 -1.072 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -16.085 1.741 0.622 1.00 0.00 N ATOM 0 H ASN A 106 -12.653 -0.389 0.097 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.783 2.012 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.459 1.292 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.729 2.893 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.005 1.460 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.004 2.300 1.471 1.00 0.00 H new ATOM 1043 N SER A 107 -10.548 1.848 0.992 1.00 0.00 N ATOM 1044 CA SER A 107 -9.354 2.496 1.530 1.00 0.00 C ATOM 1045 C SER A 107 -8.091 2.050 0.783 1.00 0.00 C ATOM 1046 O SER A 107 -6.981 2.170 1.307 1.00 0.00 O ATOM 1047 CB SER A 107 -9.219 2.199 3.025 1.00 0.00 C ATOM 1048 OG SER A 107 -9.575 3.326 3.803 1.00 0.00 O ATOM 0 H SER A 107 -10.761 0.942 1.410 1.00 0.00 H new ATOM 0 HA SER A 107 -9.464 3.571 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.855 1.355 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.193 1.908 3.250 1.00 0.00 H new ATOM 0 HG SER A 107 -8.876 3.498 4.468 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.260 1.537 -0.442 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.127 1.082 -1.244 1.00 0.00 C ATOM 1056 C VAL A 108 -7.118 1.743 -2.624 1.00 0.00 C ATOM 1057 O VAL A 108 -8.174 1.982 -3.212 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.135 -0.450 -1.421 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -5.921 -0.909 -2.220 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.188 -1.148 -0.072 1.00 0.00 C ATOM 0 H VAL A 108 -9.168 1.429 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.227 1.372 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.031 -0.722 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.948 -1.993 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.936 -0.442 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.010 -0.621 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.193 -2.228 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.315 -0.867 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.094 -0.851 0.456 1.00 0.00 H new ATOM 1070 N LYS A 109 -5.918 2.027 -3.136 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.768 2.650 -4.450 1.00 0.00 C ATOM 1072 C LYS A 109 -4.567 2.067 -5.201 1.00 0.00 C ATOM 1073 O LYS A 109 -3.463 2.002 -4.656 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.603 4.166 -4.308 1.00 0.00 C ATOM 1075 CG LYS A 109 -5.755 4.919 -5.624 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.804 6.017 -5.526 1.00 0.00 C ATOM 1077 CE LYS A 109 -8.194 5.448 -5.279 1.00 0.00 C ATOM 1078 NZ LYS A 109 -9.008 5.379 -6.528 1.00 0.00 N ATOM 0 H LYS A 109 -5.037 1.835 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.671 2.441 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.341 4.539 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -4.620 4.379 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.797 5.355 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.032 4.220 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.542 6.700 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.808 6.600 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.105 4.450 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.711 6.065 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.946 4.985 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.117 6.334 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.529 4.769 -7.221 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.766 1.640 -6.469 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.694 1.068 -7.295 1.00 0.00 C ATOM 1094 C PRO A 110 -2.469 1.984 -7.362 1.00 0.00 C ATOM 1095 O PRO A 110 -2.576 3.152 -7.738 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.332 0.911 -8.685 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.609 1.686 -8.633 1.00 0.00 C ATOM 1098 CD PRO A 110 -6.044 1.685 -7.197 1.00 0.00 C ATOM 0 HA PRO A 110 -3.328 0.127 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.673 1.294 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.520 -0.138 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.461 2.704 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.367 1.229 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.620 2.576 -6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.672 0.825 -6.965 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.312 1.444 -6.978 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.066 2.208 -6.975 1.00 0.00 C ATOM 1108 C LEU A 111 0.811 1.853 -8.178 1.00 0.00 C ATOM 1109 O LEU A 111 0.923 0.685 -8.554 1.00 0.00 O ATOM 1110 CB LEU A 111 0.697 1.947 -5.671 1.00 0.00 C ATOM 1111 CG LEU A 111 1.886 2.874 -5.402 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.456 4.333 -5.448 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.522 2.545 -4.058 1.00 0.00 C ATOM 0 H LEU A 111 -1.213 0.478 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.316 3.267 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.002 2.032 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.057 0.918 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 111 2.628 2.715 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.317 4.972 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.049 4.561 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.693 4.512 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.365 3.212 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.785 2.674 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.871 1.513 -4.064 1.00 0.00 H new ATOM 1125 N LEU A 112 1.436 2.872 -8.775 1.00 0.00 N ATOM 1126 CA LEU A 112 2.308 2.674 -9.930 1.00 0.00 C ATOM 1127 C LEU A 112 3.773 2.877 -9.553 1.00 0.00 C ATOM 1128 O LEU A 112 4.082 3.315 -8.444 1.00 0.00 O ATOM 1129 CB LEU A 112 1.933 3.641 -11.052 1.00 0.00 C ATOM 1130 CG LEU A 112 0.550 3.427 -11.667 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.329 4.414 -12.797 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.399 1.996 -12.163 1.00 0.00 C ATOM 0 H LEU A 112 1.352 3.843 -8.475 1.00 0.00 H new ATOM 0 HA LEU A 112 2.174 1.649 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.986 4.658 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.680 3.561 -11.842 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.206 3.598 -10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.658 4.256 -13.231 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.397 5.431 -12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.090 4.266 -13.563 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.592 1.864 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.157 1.791 -12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.524 1.306 -11.328 1.00 0.00 H new ATOM 1144 N ASP A 113 4.671 2.571 -10.490 1.00 0.00 N ATOM 1145 CA ASP A 113 6.107 2.731 -10.256 1.00 0.00 C ATOM 1146 C ASP A 113 6.483 4.205 -10.174 1.00 0.00 C ATOM 1147 O ASP A 113 7.149 4.632 -9.229 1.00 0.00 O ATOM 1148 CB ASP A 113 6.924 2.046 -11.360 1.00 0.00 C ATOM 1149 CG ASP A 113 8.117 1.283 -10.810 1.00 0.00 C ATOM 1150 OD1 ASP A 113 8.700 1.727 -9.794 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.469 0.239 -11.398 1.00 0.00 O ATOM 0 H ASP A 113 4.431 2.212 -11.414 1.00 0.00 H new ATOM 0 HA ASP A 113 6.340 2.256 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.281 1.360 -11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.272 2.797 -12.069 1.00 0.00 H new ATOM 1156 N SER A 114 6.048 4.979 -11.169 1.00 0.00 N ATOM 1157 CA SER A 114 6.334 6.411 -11.206 1.00 0.00 C ATOM 1158 C SER A 114 5.777 7.102 -9.966 1.00 0.00 C ATOM 1159 O SER A 114 6.433 7.967 -9.387 1.00 0.00 O ATOM 1160 CB SER A 114 5.747 7.045 -12.472 1.00 0.00 C ATOM 1161 OG SER A 114 6.268 6.431 -13.639 1.00 0.00 O ATOM 0 H SER A 114 5.498 4.638 -11.957 1.00 0.00 H new ATOM 0 HA SER A 114 7.416 6.541 -11.220 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.661 6.949 -12.461 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.973 8.111 -12.487 1.00 0.00 H new ATOM 0 HG SER A 114 5.877 6.852 -14.433 1.00 0.00 H new ATOM 1167 N GLU A 115 4.565 6.710 -9.558 1.00 0.00 N ATOM 1168 CA GLU A 115 3.923 7.291 -8.379 1.00 0.00 C ATOM 1169 C GLU A 115 4.758 7.029 -7.122 1.00 0.00 C ATOM 1170 O GLU A 115 4.983 7.935 -6.322 1.00 0.00 O ATOM 1171 CB GLU A 115 2.510 6.721 -8.201 1.00 0.00 C ATOM 1172 CG GLU A 115 1.584 6.994 -9.381 1.00 0.00 C ATOM 1173 CD GLU A 115 0.617 8.131 -9.112 1.00 0.00 C ATOM 1174 OE1 GLU A 115 1.085 9.266 -8.878 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.607 7.888 -9.138 1.00 0.00 O ATOM 0 H GLU A 115 4.011 5.994 -10.028 1.00 0.00 H new ATOM 0 HA GLU A 115 3.851 8.368 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.579 5.644 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.068 7.144 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.182 7.231 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.021 6.090 -9.613 1.00 0.00 H new ATOM 1182 N ILE A 116 5.228 5.788 -6.964 1.00 0.00 N ATOM 1183 CA ILE A 116 6.055 5.421 -5.814 1.00 0.00 C ATOM 1184 C ILE A 116 7.328 6.261 -5.803 1.00 0.00 C ATOM 1185 O ILE A 116 7.621 6.944 -4.819 1.00 0.00 O ATOM 1186 CB ILE A 116 6.432 3.920 -5.823 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.182 3.049 -5.691 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.413 3.607 -4.697 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.339 1.666 -6.288 1.00 0.00 C ATOM 0 H ILE A 116 5.050 5.024 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 116 5.468 5.614 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 116 6.912 3.696 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.926 2.953 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.346 3.552 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.666 2.547 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.318 4.199 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.956 3.851 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.413 1.106 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.564 1.752 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.153 1.143 -5.786 1.00 0.00 H new ATOM 1201 N ALA A 117 8.070 6.215 -6.914 1.00 0.00 N ATOM 1202 CA ALA A 117 9.303 6.990 -7.050 1.00 0.00 C ATOM 1203 C ALA A 117 9.040 8.466 -6.760 1.00 0.00 C ATOM 1204 O ALA A 117 9.876 9.155 -6.170 1.00 0.00 O ATOM 1205 CB ALA A 117 9.885 6.829 -8.449 1.00 0.00 C ATOM 0 H ALA A 117 7.837 5.649 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 117 10.025 6.613 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.802 7.413 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.107 5.778 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.163 7.181 -9.186 1.00 0.00 H new ATOM 1211 N LYS A 118 7.866 8.936 -7.179 1.00 0.00 N ATOM 1212 CA LYS A 118 7.468 10.320 -6.974 1.00 0.00 C ATOM 1213 C LYS A 118 7.185 10.603 -5.508 1.00 0.00 C ATOM 1214 O LYS A 118 7.721 11.551 -4.941 1.00 0.00 O ATOM 1215 CB LYS A 118 6.236 10.649 -7.803 1.00 0.00 C ATOM 1216 CG LYS A 118 6.371 11.953 -8.545 1.00 0.00 C ATOM 1217 CD LYS A 118 6.411 11.723 -10.048 1.00 0.00 C ATOM 1218 CE LYS A 118 6.202 13.017 -10.827 1.00 0.00 C ATOM 1219 NZ LYS A 118 7.492 13.618 -11.278 1.00 0.00 N ATOM 0 H LYS A 118 7.171 8.370 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 118 8.298 10.950 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.057 9.845 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.364 10.695 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.535 12.606 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.280 12.464 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.370 11.285 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.641 11.004 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.572 12.819 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.668 13.733 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.301 14.495 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.084 13.832 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.991 12.946 -11.896 1.00 0.00 H new ATOM 1233 N PHE A 119 6.337 9.776 -4.905 1.00 0.00 N ATOM 1234 CA PHE A 119 5.981 9.935 -3.494 1.00 0.00 C ATOM 1235 C PHE A 119 7.234 10.142 -2.654 1.00 0.00 C ATOM 1236 O PHE A 119 7.304 11.067 -1.845 1.00 0.00 O ATOM 1237 CB PHE A 119 5.213 8.702 -3.006 1.00 0.00 C ATOM 1238 CG PHE A 119 4.982 8.657 -1.520 1.00 0.00 C ATOM 1239 CD1 PHE A 119 5.994 8.261 -0.660 1.00 0.00 C ATOM 1240 CD2 PHE A 119 3.748 8.992 -0.986 1.00 0.00 C ATOM 1241 CE1 PHE A 119 5.781 8.199 0.701 1.00 0.00 C ATOM 1242 CE2 PHE A 119 3.528 8.930 0.374 1.00 0.00 C ATOM 1243 CZ PHE A 119 4.547 8.532 1.217 1.00 0.00 C ATOM 0 H PHE A 119 5.883 8.989 -5.368 1.00 0.00 H new ATOM 0 HA PHE A 119 5.343 10.813 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.248 8.667 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 119 5.761 7.808 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 119 6.962 7.998 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.949 9.305 -1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 119 6.579 7.890 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 119 2.562 9.192 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.377 8.482 2.282 1.00 0.00 H new ATOM 1253 N LEU A 120 8.220 9.275 -2.862 1.00 0.00 N ATOM 1254 CA LEU A 120 9.479 9.362 -2.134 1.00 0.00 C ATOM 1255 C LEU A 120 10.231 10.638 -2.505 1.00 0.00 C ATOM 1256 O LEU A 120 10.891 11.245 -1.658 1.00 0.00 O ATOM 1257 CB LEU A 120 10.340 8.140 -2.421 1.00 0.00 C ATOM 1258 CG LEU A 120 9.739 6.815 -1.953 1.00 0.00 C ATOM 1259 CD1 LEU A 120 9.864 5.753 -3.038 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.415 6.353 -0.670 1.00 0.00 C ATOM 0 H LEU A 120 8.171 8.505 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 120 9.257 9.393 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.521 8.083 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.309 8.274 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 120 8.679 6.969 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.430 4.818 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.335 6.083 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.916 5.597 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.977 5.408 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.481 6.216 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.271 7.103 0.108 1.00 0.00 H new ATOM 1272 N GLY A 121 10.114 11.049 -3.775 1.00 0.00 N ATOM 1273 CA GLY A 121 10.773 12.260 -4.225 1.00 0.00 C ATOM 1274 C GLY A 121 9.905 13.498 -4.047 1.00 0.00 C ATOM 1275 O GLY A 121 10.152 14.522 -4.682 1.00 0.00 O ATOM 0 H GLY A 121 9.575 10.562 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.703 12.390 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.039 12.155 -5.277 1.00 0.00 H new ATOM 1369 N SER A 127 8.662 11.536 5.704 1.00 0.00 N ATOM 1370 CA SER A 127 9.260 11.150 6.980 1.00 0.00 C ATOM 1371 C SER A 127 10.112 9.890 6.816 1.00 0.00 C ATOM 1372 O SER A 127 9.868 9.090 5.916 1.00 0.00 O ATOM 1373 CB SER A 127 8.169 10.923 8.029 1.00 0.00 C ATOM 1374 OG SER A 127 8.557 11.449 9.287 1.00 0.00 O ATOM 0 HA SER A 127 9.907 11.960 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.242 11.396 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.967 9.856 8.124 1.00 0.00 H new ATOM 0 HG SER A 127 8.606 10.723 9.944 1.00 0.00 H new ATOM 1380 N LYS A 128 11.113 9.722 7.684 1.00 0.00 N ATOM 1381 CA LYS A 128 12.003 8.556 7.624 1.00 0.00 C ATOM 1382 C LYS A 128 11.202 7.257 7.544 1.00 0.00 C ATOM 1383 O LYS A 128 11.455 6.419 6.677 1.00 0.00 O ATOM 1384 CB LYS A 128 12.939 8.519 8.839 1.00 0.00 C ATOM 1385 CG LYS A 128 14.197 7.690 8.616 1.00 0.00 C ATOM 1386 CD LYS A 128 15.431 8.369 9.194 1.00 0.00 C ATOM 1387 CE LYS A 128 15.827 7.771 10.539 1.00 0.00 C ATOM 1388 NZ LYS A 128 15.085 8.396 11.671 1.00 0.00 N ATOM 0 H LYS A 128 11.329 10.377 8.436 1.00 0.00 H new ATOM 0 HA LYS A 128 12.605 8.649 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.227 9.538 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.395 8.116 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.073 6.710 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.339 7.525 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 128 16.261 8.272 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.237 9.435 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.635 6.698 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.898 7.902 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.385 7.960 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.288 9.416 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.064 8.249 11.540 1.00 0.00 H new ATOM 1402 N GLU A 129 10.228 7.102 8.443 1.00 0.00 N ATOM 1403 CA GLU A 129 9.384 5.905 8.457 1.00 0.00 C ATOM 1404 C GLU A 129 8.504 5.849 7.209 1.00 0.00 C ATOM 1405 O GLU A 129 8.223 4.770 6.686 1.00 0.00 O ATOM 1406 CB GLU A 129 8.508 5.858 9.720 1.00 0.00 C ATOM 1407 CG GLU A 129 7.761 7.154 10.013 1.00 0.00 C ATOM 1408 CD GLU A 129 8.313 7.892 11.220 1.00 0.00 C ATOM 1409 OE1 GLU A 129 8.372 7.289 12.313 1.00 0.00 O ATOM 1410 OE2 GLU A 129 8.686 9.074 11.070 1.00 0.00 O ATOM 0 H GLU A 129 10.005 7.785 9.167 1.00 0.00 H new ATOM 0 HA GLU A 129 10.043 5.037 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.784 5.050 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.137 5.613 10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.815 7.804 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.707 6.931 10.180 1.00 0.00 H new ATOM 1417 N LEU A 130 8.077 7.021 6.734 1.00 0.00 N ATOM 1418 CA LEU A 130 7.234 7.107 5.544 1.00 0.00 C ATOM 1419 C LEU A 130 8.032 6.779 4.281 1.00 0.00 C ATOM 1420 O LEU A 130 7.572 6.014 3.433 1.00 0.00 O ATOM 1421 CB LEU A 130 6.606 8.501 5.436 1.00 0.00 C ATOM 1422 CG LEU A 130 5.553 8.663 4.333 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.199 8.133 4.790 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.443 10.123 3.915 1.00 0.00 C ATOM 0 H LEU A 130 8.302 7.922 7.156 1.00 0.00 H new ATOM 0 HA LEU A 130 6.436 6.370 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.147 8.749 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.401 9.227 5.266 1.00 0.00 H new ATOM 0 HG LEU A 130 5.870 8.077 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.470 8.260 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.287 7.075 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.871 8.685 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.692 10.222 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.152 10.727 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.406 10.467 3.539 1.00 0.00 H new ATOM 1436 N ILE A 131 9.232 7.349 4.164 1.00 0.00 N ATOM 1437 CA ILE A 131 10.089 7.100 3.007 1.00 0.00 C ATOM 1438 C ILE A 131 10.445 5.622 2.913 1.00 0.00 C ATOM 1439 O ILE A 131 10.265 4.998 1.867 1.00 0.00 O ATOM 1440 CB ILE A 131 11.392 7.928 3.061 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.080 9.427 3.133 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.265 7.618 1.850 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.024 10.202 4.029 1.00 0.00 C ATOM 0 H ILE A 131 9.631 7.985 4.855 1.00 0.00 H new ATOM 0 HA ILE A 131 9.524 7.404 2.126 1.00 0.00 H new ATOM 0 HB ILE A 131 11.939 7.653 3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.121 9.846 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.060 9.560 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.180 8.208 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.517 6.558 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.723 7.866 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.742 11.255 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.967 9.809 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.044 10.100 3.658 1.00 0.00 H new ATOM 1455 N GLU A 132 10.938 5.062 4.019 1.00 0.00 N ATOM 1456 CA GLU A 132 11.302 3.649 4.061 1.00 0.00 C ATOM 1457 C GLU A 132 10.130 2.783 3.607 1.00 0.00 C ATOM 1458 O GLU A 132 10.324 1.714 3.030 1.00 0.00 O ATOM 1459 CB GLU A 132 11.734 3.253 5.474 1.00 0.00 C ATOM 1460 CG GLU A 132 13.106 3.782 5.860 1.00 0.00 C ATOM 1461 CD GLU A 132 13.524 3.368 7.259 1.00 0.00 C ATOM 1462 OE1 GLU A 132 12.679 3.435 8.180 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.697 2.979 7.434 1.00 0.00 O ATOM 0 H GLU A 132 11.093 5.565 4.893 1.00 0.00 H new ATOM 0 HA GLU A 132 12.138 3.488 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.997 3.622 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.737 2.166 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.844 3.421 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.103 4.870 5.794 1.00 0.00 H new ATOM 1470 N ALA A 133 8.911 3.264 3.862 1.00 0.00 N ATOM 1471 CA ALA A 133 7.705 2.551 3.472 1.00 0.00 C ATOM 1472 C ALA A 133 7.615 2.414 1.963 1.00 0.00 C ATOM 1473 O ALA A 133 7.557 1.302 1.434 1.00 0.00 O ATOM 1474 CB ALA A 133 6.476 3.267 4.002 1.00 0.00 C ATOM 0 H ALA A 133 8.739 4.149 4.339 1.00 0.00 H new ATOM 0 HA ALA A 133 7.751 1.551 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.580 2.723 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.524 3.316 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.440 4.277 3.595 1.00 0.00 H new ATOM 1480 N TYR A 134 7.601 3.551 1.278 1.00 0.00 N ATOM 1481 CA TYR A 134 7.515 3.552 -0.181 1.00 0.00 C ATOM 1482 C TYR A 134 8.762 2.926 -0.798 1.00 0.00 C ATOM 1483 O TYR A 134 8.692 2.307 -1.861 1.00 0.00 O ATOM 1484 CB TYR A 134 7.304 4.972 -0.711 1.00 0.00 C ATOM 1485 CG TYR A 134 5.868 5.263 -1.087 1.00 0.00 C ATOM 1486 CD1 TYR A 134 4.872 5.335 -0.118 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.509 5.468 -2.411 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.564 5.606 -0.461 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.202 5.743 -2.761 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.236 5.811 -1.784 1.00 0.00 C ATOM 1491 OH TYR A 134 1.938 6.094 -2.134 1.00 0.00 O ATOM 0 H TYR A 134 7.648 4.477 1.702 1.00 0.00 H new ATOM 0 HA TYR A 134 6.654 2.949 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.626 5.687 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.939 5.125 -1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.127 5.176 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.264 5.412 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 134 2.802 5.657 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.939 5.904 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 134 1.879 6.211 -3.105 1.00 0.00 H new ATOM 1501 N GLU A 135 9.897 3.070 -0.114 1.00 0.00 N ATOM 1502 CA GLU A 135 11.153 2.498 -0.585 1.00 0.00 C ATOM 1503 C GLU A 135 11.144 0.977 -0.437 1.00 0.00 C ATOM 1504 O GLU A 135 11.799 0.269 -1.204 1.00 0.00 O ATOM 1505 CB GLU A 135 12.340 3.091 0.182 1.00 0.00 C ATOM 1506 CG GLU A 135 13.375 3.745 -0.723 1.00 0.00 C ATOM 1507 CD GLU A 135 14.685 2.975 -0.802 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.669 1.733 -0.641 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.730 3.618 -1.031 1.00 0.00 O ATOM 0 H GLU A 135 9.970 3.578 0.767 1.00 0.00 H new ATOM 0 HA GLU A 135 11.259 2.746 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.971 3.830 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.820 2.302 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 135 12.959 3.843 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.577 4.753 -0.362 1.00 0.00 H new ATOM 1516 N ALA A 136 10.392 0.480 0.550 1.00 0.00 N ATOM 1517 CA ALA A 136 10.294 -0.958 0.792 1.00 0.00 C ATOM 1518 C ALA A 136 9.430 -1.637 -0.272 1.00 0.00 C ATOM 1519 O ALA A 136 9.771 -2.714 -0.763 1.00 0.00 O ATOM 1520 CB ALA A 136 9.732 -1.224 2.179 1.00 0.00 C ATOM 0 H ALA A 136 9.844 1.053 1.192 1.00 0.00 H new ATOM 0 HA ALA A 136 11.297 -1.380 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.665 -2.299 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.388 -0.782 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.739 -0.782 2.260 1.00 0.00 H new ATOM 1526 N SER A 137 8.312 -0.996 -0.627 1.00 0.00 N ATOM 1527 CA SER A 137 7.400 -1.534 -1.641 1.00 0.00 C ATOM 1528 C SER A 137 7.969 -1.357 -3.055 1.00 0.00 C ATOM 1529 O SER A 137 7.553 -2.047 -3.988 1.00 0.00 O ATOM 1530 CB SER A 137 6.026 -0.859 -1.542 1.00 0.00 C ATOM 1531 OG SER A 137 5.050 -1.566 -2.292 1.00 0.00 O ATOM 0 H SER A 137 8.017 -0.105 -0.228 1.00 0.00 H new ATOM 0 HA SER A 137 7.288 -2.601 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.718 -0.807 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 137 6.095 0.166 -1.905 1.00 0.00 H new ATOM 0 HG SER A 137 4.184 -1.115 -2.210 1.00 0.00 H new ATOM 1537 N LYS A 138 8.922 -0.427 -3.204 1.00 0.00 N ATOM 1538 CA LYS A 138 9.556 -0.151 -4.498 1.00 0.00 C ATOM 1539 C LYS A 138 10.195 -1.407 -5.104 1.00 0.00 C ATOM 1540 O LYS A 138 10.439 -1.458 -6.312 1.00 0.00 O ATOM 1541 CB LYS A 138 10.616 0.944 -4.336 1.00 0.00 C ATOM 1542 CG LYS A 138 11.054 1.580 -5.649 1.00 0.00 C ATOM 1543 CD LYS A 138 10.057 2.626 -6.125 1.00 0.00 C ATOM 1544 CE LYS A 138 10.532 3.317 -7.395 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.738 4.161 -7.158 1.00 0.00 N ATOM 0 H LYS A 138 9.272 0.149 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 138 8.777 0.186 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.224 1.721 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.489 0.520 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 138 12.033 2.041 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.162 0.807 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.092 2.153 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.906 3.368 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.759 2.566 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.728 3.937 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.916 4.754 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.579 4.769 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.561 3.549 -6.985 1.00 0.00 H new ATOM 1559 N THR A 139 10.473 -2.408 -4.263 1.00 0.00 N ATOM 1560 CA THR A 139 11.085 -3.656 -4.719 1.00 0.00 C ATOM 1561 C THR A 139 10.043 -4.777 -4.837 1.00 0.00 C ATOM 1562 O THR A 139 9.898 -5.597 -3.930 1.00 0.00 O ATOM 1563 CB THR A 139 12.209 -4.095 -3.761 1.00 0.00 C ATOM 1564 OG1 THR A 139 12.082 -3.468 -2.493 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.600 -3.805 -4.288 1.00 0.00 C ATOM 0 H THR A 139 10.283 -2.376 -3.261 1.00 0.00 H new ATOM 0 HA THR A 139 11.509 -3.469 -5.706 1.00 0.00 H new ATOM 0 HB THR A 139 12.093 -5.175 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.200 -3.669 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 139 14.341 -4.140 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.750 -4.333 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.711 -2.733 -4.451 1.00 0.00 H new