USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 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= -0.0771 K(o=-0.077,f=-0.59) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -151:sc= 0.417 USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.495 (180deg=-1.02) 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= -0.0458 X(o=-0.046,f=-0.5) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0953 K(o=-0.095,f=-1.9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 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+ -125:sc= -0.525 (180deg=-1.57!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 137 SER OG : rot -55:sc= 0.347 USER MOD Single : A 138 LYS NZ :NH3+ -166:sc= -0.033 (180deg=-0.0537) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.909 -6.807 -8.204 1.00 0.00 N ATOM 92 CA ASN A 51 -4.873 -8.271 -8.230 1.00 0.00 C ATOM 93 C ASN A 51 -3.756 -8.815 -7.332 1.00 0.00 C ATOM 94 O ASN A 51 -3.059 -8.050 -6.662 1.00 0.00 O ATOM 95 CB ASN A 51 -4.680 -8.772 -9.667 1.00 0.00 C ATOM 96 CG ASN A 51 -5.917 -9.466 -10.212 1.00 0.00 C ATOM 97 OD1 ASN A 51 -6.584 -10.217 -9.501 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.226 -9.223 -11.481 1.00 0.00 N ATOM 0 HA ASN A 51 -5.826 -8.636 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.426 -7.930 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.837 -9.462 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.043 -9.666 -11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.646 -8.593 -12.036 1.00 0.00 H new ATOM 105 N PHE A 52 -3.597 -10.141 -7.325 1.00 0.00 N ATOM 106 CA PHE A 52 -2.567 -10.794 -6.513 1.00 0.00 C ATOM 107 C PHE A 52 -1.172 -10.413 -6.995 1.00 0.00 C ATOM 108 O PHE A 52 -0.906 -10.395 -8.200 1.00 0.00 O ATOM 109 CB PHE A 52 -2.727 -12.320 -6.550 1.00 0.00 C ATOM 110 CG PHE A 52 -4.147 -12.788 -6.367 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.960 -12.217 -5.401 1.00 0.00 C ATOM 112 CD2 PHE A 52 -4.667 -13.795 -7.165 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.265 -12.640 -5.235 1.00 0.00 C ATOM 114 CE2 PHE A 52 -5.971 -14.223 -7.001 1.00 0.00 C ATOM 115 CZ PHE A 52 -6.771 -13.645 -6.037 1.00 0.00 C ATOM 0 H PHE A 52 -4.169 -10.784 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.691 -10.451 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.352 -12.692 -7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.106 -12.760 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.569 -11.432 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.047 -14.250 -7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.889 -12.186 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.364 -15.010 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.791 -13.977 -5.909 1.00 0.00 H new ATOM 125 N GLY A 53 -0.286 -10.105 -6.049 1.00 0.00 N ATOM 126 CA GLY A 53 1.073 -9.719 -6.390 1.00 0.00 C ATOM 127 C GLY A 53 1.146 -8.329 -6.999 1.00 0.00 C ATOM 128 O GLY A 53 2.010 -8.058 -7.834 1.00 0.00 O ATOM 0 H GLY A 53 -0.487 -10.116 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.693 -9.753 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.488 -10.442 -7.092 1.00 0.00 H new ATOM 132 N ASP A 54 0.233 -7.448 -6.582 1.00 0.00 N ATOM 133 CA ASP A 54 0.193 -6.081 -7.091 1.00 0.00 C ATOM 134 C ASP A 54 0.307 -5.071 -5.952 1.00 0.00 C ATOM 135 O ASP A 54 -0.510 -5.070 -5.026 1.00 0.00 O ATOM 136 CB ASP A 54 -1.101 -5.847 -7.874 1.00 0.00 C ATOM 137 CG ASP A 54 -0.879 -5.023 -9.127 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.372 -5.582 -10.124 1.00 0.00 O ATOM 139 OD2 ASP A 54 -1.208 -3.819 -9.111 1.00 0.00 O ATOM 0 H ASP A 54 -0.488 -7.660 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 54 1.043 -5.941 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.536 -6.808 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.823 -5.341 -7.233 1.00 0.00 H new ATOM 144 N ARG A 55 1.326 -4.213 -6.025 1.00 0.00 N ATOM 145 CA ARG A 55 1.553 -3.193 -5.003 1.00 0.00 C ATOM 146 C ARG A 55 0.426 -2.164 -5.000 1.00 0.00 C ATOM 147 O ARG A 55 0.244 -1.422 -5.968 1.00 0.00 O ATOM 148 CB ARG A 55 2.907 -2.498 -5.216 1.00 0.00 C ATOM 149 CG ARG A 55 3.158 -2.047 -6.650 1.00 0.00 C ATOM 150 CD ARG A 55 4.363 -2.754 -7.255 1.00 0.00 C ATOM 151 NE ARG A 55 4.608 -2.340 -8.636 1.00 0.00 N ATOM 152 CZ ARG A 55 3.959 -2.836 -9.693 1.00 0.00 C ATOM 153 NH1 ARG A 55 3.013 -3.760 -9.533 1.00 0.00 N ATOM 154 NH2 ARG A 55 4.253 -2.403 -10.913 1.00 0.00 N ATOM 0 H ARG A 55 2.008 -4.205 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 55 1.568 -3.690 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.965 -1.631 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.704 -3.179 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.275 -2.249 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.319 -0.969 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.246 -2.544 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.204 -3.832 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 55 5.319 -1.628 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.779 -4.094 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.522 -4.133 -10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.974 -1.693 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.758 -2.781 -11.721 1.00 0.00 H new ATOM 168 N ILE A 56 -0.326 -2.130 -3.902 1.00 0.00 N ATOM 169 CA ILE A 56 -1.441 -1.198 -3.756 1.00 0.00 C ATOM 170 C ILE A 56 -1.283 -0.342 -2.500 1.00 0.00 C ATOM 171 O ILE A 56 -0.683 -0.772 -1.515 1.00 0.00 O ATOM 172 CB ILE A 56 -2.796 -1.937 -3.707 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.797 -2.994 -2.596 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.102 -2.577 -5.057 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.092 -3.773 -2.496 1.00 0.00 C ATOM 0 H ILE A 56 -0.182 -2.740 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.429 -0.551 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.577 -1.209 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.977 -3.691 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.603 -2.505 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.060 -3.094 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.147 -1.804 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.317 -3.291 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.017 -4.501 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.914 -3.087 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.278 -4.292 -3.436 1.00 0.00 H new ATOM 187 N LEU A 57 -1.826 0.871 -2.544 1.00 0.00 N ATOM 188 CA LEU A 57 -1.747 1.787 -1.411 1.00 0.00 C ATOM 189 C LEU A 57 -2.979 1.653 -0.524 1.00 0.00 C ATOM 190 O LEU A 57 -4.109 1.806 -0.989 1.00 0.00 O ATOM 191 CB LEU A 57 -1.606 3.230 -1.899 1.00 0.00 C ATOM 192 CG LEU A 57 -0.995 4.197 -0.883 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.494 3.937 -0.734 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.254 5.638 -1.296 1.00 0.00 C ATOM 0 H LEU A 57 -2.325 1.242 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.866 1.527 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.991 3.235 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.591 3.600 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.469 4.031 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.914 4.633 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.652 2.915 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.986 4.076 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.812 6.312 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.807 5.822 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.328 5.814 -1.350 1.00 0.00 H new ATOM 206 N VAL A 58 -2.753 1.360 0.754 1.00 0.00 N ATOM 207 CA VAL A 58 -3.843 1.196 1.707 1.00 0.00 C ATOM 208 C VAL A 58 -3.714 2.169 2.878 1.00 0.00 C ATOM 209 O VAL A 58 -2.611 2.439 3.355 1.00 0.00 O ATOM 210 CB VAL A 58 -3.903 -0.253 2.238 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.607 -0.629 2.944 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.094 -0.440 3.165 1.00 0.00 C ATOM 0 H VAL A 58 -1.823 1.231 1.152 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.769 1.416 1.175 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.028 -0.919 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.675 -1.654 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.775 -0.547 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.442 0.045 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.116 -1.468 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.006 0.241 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.015 -0.227 2.622 1.00 0.00 H new ATOM 222 N LYS A 59 -4.849 2.690 3.335 1.00 0.00 N ATOM 223 CA LYS A 59 -4.869 3.632 4.450 1.00 0.00 C ATOM 224 C LYS A 59 -5.235 2.927 5.756 1.00 0.00 C ATOM 225 O LYS A 59 -6.145 2.098 5.790 1.00 0.00 O ATOM 226 CB LYS A 59 -5.860 4.763 4.168 1.00 0.00 C ATOM 227 CG LYS A 59 -5.465 6.089 4.798 1.00 0.00 C ATOM 228 CD LYS A 59 -6.673 6.815 5.372 1.00 0.00 C ATOM 229 CE LYS A 59 -7.156 7.920 4.445 1.00 0.00 C ATOM 230 NZ LYS A 59 -6.352 9.165 4.592 1.00 0.00 N ATOM 0 H LYS A 59 -5.769 2.475 2.950 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.869 4.052 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.951 4.895 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.844 4.473 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.735 5.914 5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.982 6.719 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.480 6.102 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.415 7.240 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.104 7.575 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.203 8.138 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.715 9.891 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.422 9.510 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.357 8.964 4.366 1.00 0.00 H new ATOM 244 N ALA A 60 -4.517 3.267 6.827 1.00 0.00 N ATOM 245 CA ALA A 60 -4.760 2.672 8.139 1.00 0.00 C ATOM 246 C ALA A 60 -5.549 3.623 9.039 1.00 0.00 C ATOM 247 O ALA A 60 -5.463 4.843 8.891 1.00 0.00 O ATOM 248 CB ALA A 60 -3.440 2.293 8.796 1.00 0.00 C ATOM 0 H ALA A 60 -3.762 3.952 6.810 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.357 1.771 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.634 1.851 9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.915 1.572 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.825 3.184 8.917 1.00 0.00 H new ATOM 254 N PRO A 61 -6.331 3.075 9.993 1.00 0.00 N ATOM 255 CA PRO A 61 -7.136 3.881 10.922 1.00 0.00 C ATOM 256 C PRO A 61 -6.301 4.929 11.651 1.00 0.00 C ATOM 257 O PRO A 61 -5.349 4.596 12.358 1.00 0.00 O ATOM 258 CB PRO A 61 -7.683 2.848 11.911 1.00 0.00 C ATOM 259 CG PRO A 61 -7.680 1.565 11.157 1.00 0.00 C ATOM 260 CD PRO A 61 -6.490 1.628 10.240 1.00 0.00 C ATOM 0 HA PRO A 61 -7.912 4.445 10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.060 2.785 12.803 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.688 3.110 12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.606 0.714 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.603 1.443 10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.602 1.199 10.703 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.665 1.078 9.315 1.00 0.00 H new ATOM 268 N GLY A 62 -6.664 6.200 11.469 1.00 0.00 N ATOM 269 CA GLY A 62 -5.939 7.286 12.107 1.00 0.00 C ATOM 270 C GLY A 62 -4.516 7.430 11.590 1.00 0.00 C ATOM 271 O GLY A 62 -3.632 7.882 12.318 1.00 0.00 O ATOM 0 H GLY A 62 -7.450 6.495 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.476 8.220 11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.914 7.117 13.183 1.00 0.00 H new ATOM 275 N TYR A 63 -4.294 7.044 10.333 1.00 0.00 N ATOM 276 CA TYR A 63 -2.968 7.130 9.727 1.00 0.00 C ATOM 277 C TYR A 63 -3.072 7.265 8.206 1.00 0.00 C ATOM 278 O TYR A 63 -3.935 6.646 7.583 1.00 0.00 O ATOM 279 CB TYR A 63 -2.150 5.888 10.090 1.00 0.00 C ATOM 280 CG TYR A 63 -0.652 6.073 9.962 1.00 0.00 C ATOM 281 CD1 TYR A 63 0.023 7.004 10.744 1.00 0.00 C ATOM 282 CD2 TYR A 63 0.084 5.314 9.062 1.00 0.00 C ATOM 283 CE1 TYR A 63 1.390 7.171 10.630 1.00 0.00 C ATOM 284 CE2 TYR A 63 1.452 5.475 8.945 1.00 0.00 C ATOM 285 CZ TYR A 63 2.100 6.404 9.731 1.00 0.00 C ATOM 286 OH TYR A 63 3.461 6.568 9.616 1.00 0.00 O ATOM 0 H TYR A 63 -5.015 6.669 9.717 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.467 8.017 10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.383 5.600 11.115 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.459 5.063 9.449 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.529 7.605 11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.420 4.586 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.900 7.899 11.243 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.011 4.876 8.241 1.00 0.00 H new ATOM 0 HH TYR A 63 3.742 6.339 8.706 1.00 0.00 H new ATOM 296 N PRO A 64 -2.198 8.084 7.586 1.00 0.00 N ATOM 297 CA PRO A 64 -2.203 8.299 6.130 1.00 0.00 C ATOM 298 C PRO A 64 -2.034 6.998 5.342 1.00 0.00 C ATOM 299 O PRO A 64 -1.861 5.924 5.923 1.00 0.00 O ATOM 300 CB PRO A 64 -1.003 9.229 5.898 1.00 0.00 C ATOM 301 CG PRO A 64 -0.773 9.890 7.212 1.00 0.00 C ATOM 302 CD PRO A 64 -1.142 8.870 8.251 1.00 0.00 C ATOM 0 HA PRO A 64 -3.151 8.713 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.125 8.669 5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.215 9.961 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.267 10.198 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.383 10.788 7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.290 8.249 8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.504 9.339 9.166 1.00 0.00 H new ATOM 310 N TRP A 65 -2.086 7.106 4.015 1.00 0.00 N ATOM 311 CA TRP A 65 -1.943 5.943 3.139 1.00 0.00 C ATOM 312 C TRP A 65 -0.543 5.339 3.251 1.00 0.00 C ATOM 313 O TRP A 65 0.439 6.058 3.442 1.00 0.00 O ATOM 314 CB TRP A 65 -2.227 6.328 1.683 1.00 0.00 C ATOM 315 CG TRP A 65 -3.603 6.888 1.468 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.008 8.171 1.692 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.753 6.182 0.985 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.339 8.308 1.383 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.819 7.101 0.945 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.987 4.863 0.583 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -7.095 6.743 0.520 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.254 4.510 0.160 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.294 5.447 0.132 1.00 0.00 C ATOM 0 H TRP A 65 -2.226 7.988 3.522 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.669 5.196 3.458 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.490 7.063 1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.099 5.449 1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.374 8.964 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.882 9.168 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.191 4.133 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.899 7.463 0.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.445 3.495 -0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.274 5.140 -0.203 1.00 0.00 H new ATOM 334 N TRP A 66 -0.461 4.014 3.134 1.00 0.00 N ATOM 335 CA TRP A 66 0.816 3.312 3.227 1.00 0.00 C ATOM 336 C TRP A 66 0.979 2.317 2.076 1.00 0.00 C ATOM 337 O TRP A 66 0.011 1.676 1.659 1.00 0.00 O ATOM 338 CB TRP A 66 0.921 2.582 4.568 1.00 0.00 C ATOM 339 CG TRP A 66 2.312 2.565 5.121 1.00 0.00 C ATOM 340 CD1 TRP A 66 3.133 1.482 5.239 1.00 0.00 C ATOM 341 CD2 TRP A 66 3.048 3.685 5.620 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.335 1.861 5.783 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.307 3.207 6.028 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.767 5.047 5.765 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.281 4.040 6.567 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.737 5.874 6.299 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.981 5.366 6.693 1.00 0.00 C ATOM 0 H TRP A 66 -1.265 3.406 2.975 1.00 0.00 H new ATOM 0 HA TRP A 66 1.615 4.050 3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.256 3.060 5.288 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.573 1.556 4.445 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.875 0.475 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.121 1.240 5.974 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.809 5.446 5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.241 3.652 6.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.532 6.928 6.414 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.719 6.038 7.106 1.00 0.00 H new ATOM 358 N PRO A 67 2.212 2.172 1.548 1.00 0.00 N ATOM 359 CA PRO A 67 2.495 1.251 0.442 1.00 0.00 C ATOM 360 C PRO A 67 2.479 -0.213 0.882 1.00 0.00 C ATOM 361 O PRO A 67 3.325 -0.646 1.667 1.00 0.00 O ATOM 362 CB PRO A 67 3.895 1.665 -0.011 1.00 0.00 C ATOM 363 CG PRO A 67 4.531 2.224 1.214 1.00 0.00 C ATOM 364 CD PRO A 67 3.425 2.896 1.982 1.00 0.00 C ATOM 0 HA PRO A 67 1.743 1.313 -0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.456 0.814 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.851 2.406 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.996 1.436 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.316 2.935 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.577 2.815 3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.363 3.959 1.748 1.00 0.00 H new ATOM 372 N ALA A 68 1.511 -0.967 0.367 1.00 0.00 N ATOM 373 CA ALA A 68 1.375 -2.384 0.690 1.00 0.00 C ATOM 374 C ALA A 68 1.314 -3.222 -0.589 1.00 0.00 C ATOM 375 O ALA A 68 1.255 -2.678 -1.692 1.00 0.00 O ATOM 376 CB ALA A 68 0.133 -2.610 1.540 1.00 0.00 C ATOM 0 H ALA A 68 0.805 -0.617 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 68 2.249 -2.699 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.041 -3.670 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.216 -2.039 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.749 -2.283 0.990 1.00 0.00 H new ATOM 382 N LEU A 69 1.334 -4.545 -0.441 1.00 0.00 N ATOM 383 CA LEU A 69 1.280 -5.443 -1.596 1.00 0.00 C ATOM 384 C LEU A 69 0.147 -6.457 -1.452 1.00 0.00 C ATOM 385 O LEU A 69 0.117 -7.237 -0.500 1.00 0.00 O ATOM 386 CB LEU A 69 2.617 -6.166 -1.779 1.00 0.00 C ATOM 387 CG LEU A 69 3.420 -5.723 -3.006 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.914 -5.783 -2.721 1.00 0.00 C ATOM 389 CD2 LEU A 69 3.070 -6.578 -4.217 1.00 0.00 C ATOM 0 H LEU A 69 1.387 -5.018 0.461 1.00 0.00 H new ATOM 0 HA LEU A 69 1.085 -4.837 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.225 -6.009 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.429 -7.237 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 69 3.156 -4.690 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.466 -5.464 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.152 -5.123 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.195 -6.805 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.652 -6.246 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.300 -7.622 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.007 -6.479 -4.438 1.00 0.00 H new ATOM 401 N LEU A 70 -0.786 -6.435 -2.405 1.00 0.00 N ATOM 402 CA LEU A 70 -1.933 -7.346 -2.388 1.00 0.00 C ATOM 403 C LEU A 70 -1.494 -8.807 -2.486 1.00 0.00 C ATOM 404 O LEU A 70 -0.709 -9.173 -3.363 1.00 0.00 O ATOM 405 CB LEU A 70 -2.892 -7.021 -3.537 1.00 0.00 C ATOM 406 CG LEU A 70 -4.379 -7.162 -3.202 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.231 -6.408 -4.213 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.780 -8.632 -3.152 1.00 0.00 C ATOM 0 H LEU A 70 -0.770 -5.796 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.445 -7.206 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.705 -5.999 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.661 -7.675 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.551 -6.726 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.285 -6.521 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.965 -5.351 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.055 -6.811 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.840 -8.712 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.591 -9.094 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.196 -9.143 -2.387 1.00 0.00 H new ATOM 420 N LEU A 71 -2.020 -9.637 -1.584 1.00 0.00 N ATOM 421 CA LEU A 71 -1.702 -11.063 -1.563 1.00 0.00 C ATOM 422 C LEU A 71 -2.879 -11.885 -2.085 1.00 0.00 C ATOM 423 O LEU A 71 -2.736 -12.650 -3.041 1.00 0.00 O ATOM 424 CB LEU A 71 -1.346 -11.517 -0.142 1.00 0.00 C ATOM 425 CG LEU A 71 -0.265 -10.693 0.561 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.694 -10.346 1.980 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.058 -11.446 0.569 1.00 0.00 C ATOM 0 H LEU A 71 -2.671 -9.343 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.842 -11.224 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.250 -11.492 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.018 -12.556 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.127 -9.763 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.088 -9.760 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.616 -9.766 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.861 -11.264 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.815 -10.845 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.935 -12.392 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.372 -11.640 -0.456 1.00 0.00 H new ATOM 439 N ARG A 72 -4.040 -11.726 -1.444 1.00 0.00 N ATOM 440 CA ARG A 72 -5.246 -12.454 -1.836 1.00 0.00 C ATOM 441 C ARG A 72 -6.509 -11.725 -1.381 1.00 0.00 C ATOM 442 O ARG A 72 -6.467 -10.902 -0.463 1.00 0.00 O ATOM 443 CB ARG A 72 -5.224 -13.870 -1.253 1.00 0.00 C ATOM 444 CG ARG A 72 -5.095 -14.960 -2.307 1.00 0.00 C ATOM 445 CD ARG A 72 -6.121 -16.067 -2.099 1.00 0.00 C ATOM 446 NE ARG A 72 -5.504 -17.392 -2.068 1.00 0.00 N ATOM 447 CZ ARG A 72 -4.757 -17.844 -1.058 1.00 0.00 C ATOM 448 NH1 ARG A 72 -4.518 -17.075 0.003 1.00 0.00 N ATOM 449 NH2 ARG A 72 -4.246 -19.069 -1.108 1.00 0.00 N ATOM 0 H ARG A 72 -4.169 -11.098 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.260 -12.512 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.393 -13.953 -0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.139 -14.034 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.224 -14.525 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.091 -15.383 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.655 -15.895 -1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.860 -16.031 -2.900 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.653 -18.009 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.907 -16.133 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.946 -17.428 0.770 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.424 -19.663 -1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.675 -19.415 -0.337 1.00 0.00 H new ATOM 463 N ARG A 73 -7.632 -12.039 -2.028 1.00 0.00 N ATOM 464 CA ARG A 73 -8.912 -11.423 -1.690 1.00 0.00 C ATOM 465 C ARG A 73 -9.866 -12.455 -1.098 1.00 0.00 C ATOM 466 O ARG A 73 -10.316 -13.370 -1.790 1.00 0.00 O ATOM 467 CB ARG A 73 -9.546 -10.767 -2.925 1.00 0.00 C ATOM 468 CG ARG A 73 -9.644 -11.682 -4.138 1.00 0.00 C ATOM 469 CD ARG A 73 -11.039 -11.651 -4.749 1.00 0.00 C ATOM 470 NE ARG A 73 -11.212 -12.670 -5.783 1.00 0.00 N ATOM 471 CZ ARG A 73 -12.402 -13.113 -6.203 1.00 0.00 C ATOM 472 NH1 ARG A 73 -13.528 -12.625 -5.687 1.00 0.00 N ATOM 473 NH2 ARG A 73 -12.465 -14.047 -7.147 1.00 0.00 N ATOM 0 H ARG A 73 -7.679 -12.717 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.726 -10.650 -0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.546 -10.419 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.963 -9.887 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.911 -11.377 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.396 -12.703 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.781 -11.802 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.224 -10.666 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.375 -13.067 -6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.488 -11.906 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.430 -12.970 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.607 -14.424 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.371 -14.386 -7.469 1.00 0.00 H new ATOM 487 N LYS A 74 -10.169 -12.302 0.187 1.00 0.00 N ATOM 488 CA LYS A 74 -11.069 -13.220 0.875 1.00 0.00 C ATOM 489 C LYS A 74 -12.453 -12.595 1.045 1.00 0.00 C ATOM 490 O LYS A 74 -12.649 -11.709 1.881 1.00 0.00 O ATOM 491 CB LYS A 74 -10.492 -13.632 2.235 1.00 0.00 C ATOM 492 CG LYS A 74 -9.667 -12.550 2.918 1.00 0.00 C ATOM 493 CD LYS A 74 -9.549 -12.801 4.414 1.00 0.00 C ATOM 494 CE LYS A 74 -10.662 -12.110 5.190 1.00 0.00 C ATOM 495 NZ LYS A 74 -11.984 -12.772 4.994 1.00 0.00 N ATOM 0 H LYS A 74 -9.804 -11.551 0.773 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.171 -14.116 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.312 -13.917 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.869 -14.516 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.672 -12.515 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.127 -11.577 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.582 -13.873 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.582 -12.443 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.414 -12.106 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.729 -11.069 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.635 -12.478 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.377 -12.495 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.863 -13.805 5.023 1.00 0.00 H new ATOM 509 N GLU A 75 -13.407 -13.061 0.238 1.00 0.00 N ATOM 510 CA GLU A 75 -14.776 -12.555 0.281 1.00 0.00 C ATOM 511 C GLU A 75 -15.596 -13.279 1.347 1.00 0.00 C ATOM 512 O GLU A 75 -15.856 -14.479 1.232 1.00 0.00 O ATOM 513 CB GLU A 75 -15.439 -12.725 -1.089 1.00 0.00 C ATOM 514 CG GLU A 75 -16.296 -11.540 -1.507 1.00 0.00 C ATOM 515 CD GLU A 75 -17.345 -11.917 -2.534 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.355 -12.541 -2.149 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.157 -11.589 -3.723 1.00 0.00 O ATOM 0 H GLU A 75 -13.253 -13.792 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.739 -11.496 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.665 -12.884 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -16.058 -13.622 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.786 -11.122 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.656 -10.759 -1.916 1.00 0.00 H new ATOM 524 N THR A 76 -16.003 -12.543 2.381 1.00 0.00 N ATOM 525 CA THR A 76 -16.796 -13.118 3.463 1.00 0.00 C ATOM 526 C THR A 76 -18.142 -12.403 3.592 1.00 0.00 C ATOM 527 O THR A 76 -18.199 -11.177 3.649 1.00 0.00 O ATOM 528 CB THR A 76 -16.024 -13.063 4.787 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.772 -13.662 5.831 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.662 -11.659 5.231 1.00 0.00 C ATOM 0 H THR A 76 -15.796 -11.550 2.491 1.00 0.00 H new ATOM 0 HA THR A 76 -16.990 -14.163 3.223 1.00 0.00 H new ATOM 0 HB THR A 76 -15.100 -13.608 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.261 -13.618 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.118 -11.705 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.036 -11.188 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.572 -11.074 5.365 1.00 0.00 H new ATOM 666 N PHE A 86 -22.331 -8.272 1.979 1.00 0.00 N ATOM 667 CA PHE A 86 -21.046 -8.953 1.834 1.00 0.00 C ATOM 668 C PHE A 86 -19.919 -8.126 2.446 1.00 0.00 C ATOM 669 O PHE A 86 -20.037 -6.906 2.589 1.00 0.00 O ATOM 670 CB PHE A 86 -20.741 -9.234 0.358 1.00 0.00 C ATOM 671 CG PHE A 86 -21.346 -10.514 -0.150 1.00 0.00 C ATOM 672 CD1 PHE A 86 -20.650 -11.709 -0.061 1.00 0.00 C ATOM 673 CD2 PHE A 86 -22.611 -10.520 -0.716 1.00 0.00 C ATOM 674 CE1 PHE A 86 -21.204 -12.887 -0.529 1.00 0.00 C ATOM 675 CE2 PHE A 86 -23.169 -11.693 -1.187 1.00 0.00 C ATOM 676 CZ PHE A 86 -22.466 -12.878 -1.091 1.00 0.00 C ATOM 0 HA PHE A 86 -21.113 -9.902 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.109 -8.404 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.660 -9.273 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -19.664 -11.721 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -23.167 -9.597 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -20.651 -13.812 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -24.154 -11.683 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 86 -22.902 -13.796 -1.455 1.00 0.00 H new ATOM 686 N ASN A 87 -18.824 -8.797 2.801 1.00 0.00 N ATOM 687 CA ASN A 87 -17.670 -8.131 3.394 1.00 0.00 C ATOM 688 C ASN A 87 -16.374 -8.631 2.762 1.00 0.00 C ATOM 689 O ASN A 87 -15.690 -9.496 3.313 1.00 0.00 O ATOM 690 CB ASN A 87 -17.639 -8.370 4.909 1.00 0.00 C ATOM 691 CG ASN A 87 -18.644 -7.514 5.656 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.808 -7.886 5.795 1.00 0.00 O ATOM 693 ND2 ASN A 87 -18.199 -6.361 6.144 1.00 0.00 N ATOM 0 H ASN A 87 -18.714 -9.805 2.687 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.759 -7.061 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.842 -9.422 5.111 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.638 -8.160 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -18.831 -5.746 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -17.225 -6.091 6.006 1.00 0.00 H new ATOM 700 N VAL A 88 -16.040 -8.070 1.605 1.00 0.00 N ATOM 701 CA VAL A 88 -14.820 -8.446 0.897 1.00 0.00 C ATOM 702 C VAL A 88 -13.686 -7.484 1.233 1.00 0.00 C ATOM 703 O VAL A 88 -13.891 -6.272 1.327 1.00 0.00 O ATOM 704 CB VAL A 88 -15.031 -8.483 -0.632 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.482 -7.125 -1.158 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.763 -8.945 -1.339 1.00 0.00 C ATOM 0 H VAL A 88 -16.596 -7.354 1.137 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.555 -9.450 1.228 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.822 -9.202 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.623 -7.181 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.423 -6.845 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.724 -6.376 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.933 -8.964 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.949 -8.257 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.499 -9.945 -0.996 1.00 0.00 H new ATOM 716 N LEU A 89 -12.492 -8.036 1.415 1.00 0.00 N ATOM 717 CA LEU A 89 -11.316 -7.234 1.746 1.00 0.00 C ATOM 718 C LEU A 89 -10.113 -7.635 0.894 1.00 0.00 C ATOM 719 O LEU A 89 -10.195 -8.554 0.074 1.00 0.00 O ATOM 720 CB LEU A 89 -10.964 -7.377 3.231 1.00 0.00 C ATOM 721 CG LEU A 89 -12.150 -7.364 4.199 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.701 -7.782 5.591 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.793 -5.984 4.233 1.00 0.00 C ATOM 0 H LEU A 89 -12.311 -9.037 1.339 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.560 -6.193 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.417 -8.310 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.287 -6.568 3.504 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.894 -8.080 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.555 -7.768 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.285 -8.789 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.941 -7.089 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.634 -5.992 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.059 -5.249 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.147 -5.723 3.236 1.00 0.00 H new ATOM 735 N TYR A 90 -8.998 -6.935 1.096 1.00 0.00 N ATOM 736 CA TYR A 90 -7.771 -7.203 0.358 1.00 0.00 C ATOM 737 C TYR A 90 -6.599 -7.430 1.307 1.00 0.00 C ATOM 738 O TYR A 90 -6.104 -6.488 1.930 1.00 0.00 O ATOM 739 CB TYR A 90 -7.457 -6.035 -0.579 1.00 0.00 C ATOM 740 CG TYR A 90 -7.925 -6.256 -1.998 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.815 -7.502 -2.598 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.473 -5.217 -2.738 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.240 -7.710 -3.892 1.00 0.00 C ATOM 744 CE2 TYR A 90 -8.903 -5.417 -4.035 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.783 -6.665 -4.608 1.00 0.00 C ATOM 746 OH TYR A 90 -9.209 -6.867 -5.901 1.00 0.00 O ATOM 0 H TYR A 90 -8.922 -6.173 1.770 1.00 0.00 H new ATOM 0 HA TYR A 90 -7.920 -8.110 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.924 -5.131 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.381 -5.862 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.389 -8.323 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.564 -4.237 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.148 -8.687 -4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.331 -4.600 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.567 -6.029 -6.262 1.00 0.00 H new ATOM 756 N LYS A 91 -6.148 -8.679 1.404 1.00 0.00 N ATOM 757 CA LYS A 91 -5.020 -9.020 2.267 1.00 0.00 C ATOM 758 C LYS A 91 -3.728 -8.476 1.662 1.00 0.00 C ATOM 759 O LYS A 91 -3.174 -9.065 0.733 1.00 0.00 O ATOM 760 CB LYS A 91 -4.921 -10.540 2.450 1.00 0.00 C ATOM 761 CG LYS A 91 -6.167 -11.170 3.063 1.00 0.00 C ATOM 762 CD LYS A 91 -5.828 -12.004 4.289 1.00 0.00 C ATOM 763 CE LYS A 91 -5.740 -13.486 3.955 1.00 0.00 C ATOM 764 NZ LYS A 91 -4.786 -14.209 4.845 1.00 0.00 N ATOM 0 H LYS A 91 -6.545 -9.470 0.897 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.176 -8.567 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.732 -11.001 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.063 -10.765 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.873 -10.387 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.661 -11.797 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.879 -11.668 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.587 -11.848 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.729 -13.936 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.428 -13.605 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.759 -15.215 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.836 -13.798 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.097 -14.119 5.833 1.00 0.00 H new ATOM 778 N VAL A 92 -3.268 -7.336 2.175 1.00 0.00 N ATOM 779 CA VAL A 92 -2.056 -6.700 1.662 1.00 0.00 C ATOM 780 C VAL A 92 -0.892 -6.787 2.648 1.00 0.00 C ATOM 781 O VAL A 92 -1.093 -6.820 3.864 1.00 0.00 O ATOM 782 CB VAL A 92 -2.307 -5.214 1.316 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.491 -5.071 0.371 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.523 -4.388 2.578 1.00 0.00 C ATOM 0 H VAL A 92 -3.715 -6.835 2.943 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.787 -7.248 0.759 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.419 -4.833 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.648 -4.017 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.289 -5.617 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.385 -5.477 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.697 -3.347 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.388 -4.771 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.639 -4.454 3.212 1.00 0.00 H new ATOM 794 N LEU A 93 0.327 -6.797 2.106 1.00 0.00 N ATOM 795 CA LEU A 93 1.538 -6.854 2.917 1.00 0.00 C ATOM 796 C LEU A 93 2.118 -5.451 3.064 1.00 0.00 C ATOM 797 O LEU A 93 2.232 -4.717 2.086 1.00 0.00 O ATOM 798 CB LEU A 93 2.582 -7.774 2.271 1.00 0.00 C ATOM 799 CG LEU A 93 2.552 -9.238 2.725 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.609 -10.047 1.990 1.00 0.00 C ATOM 801 CD2 LEU A 93 2.756 -9.342 4.229 1.00 0.00 C ATOM 0 H LEU A 93 0.499 -6.766 1.101 1.00 0.00 H new ATOM 0 HA LEU A 93 1.281 -7.254 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.445 -7.745 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.573 -7.369 2.477 1.00 0.00 H new ATOM 0 HG LEU A 93 1.571 -9.648 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.572 -11.083 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.418 -10.006 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.595 -9.633 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.731 -10.390 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.721 -8.912 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.962 -8.799 4.742 1.00 0.00 H new ATOM 813 N PHE A 94 2.472 -5.082 4.288 1.00 0.00 N ATOM 814 CA PHE A 94 3.028 -3.758 4.562 1.00 0.00 C ATOM 815 C PHE A 94 4.558 -3.785 4.557 1.00 0.00 C ATOM 816 O PHE A 94 5.170 -4.846 4.703 1.00 0.00 O ATOM 817 CB PHE A 94 2.524 -3.255 5.916 1.00 0.00 C ATOM 818 CG PHE A 94 1.286 -2.403 5.843 1.00 0.00 C ATOM 819 CD1 PHE A 94 0.079 -2.933 5.407 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.328 -1.070 6.220 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.057 -2.148 5.351 1.00 0.00 C ATOM 822 CE2 PHE A 94 0.195 -0.282 6.165 1.00 0.00 C ATOM 823 CZ PHE A 94 -0.997 -0.821 5.730 1.00 0.00 C ATOM 0 H PHE A 94 2.385 -5.680 5.110 1.00 0.00 H new ATOM 0 HA PHE A 94 2.698 -3.082 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.322 -4.114 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.317 -2.681 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.027 -3.970 5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.259 -0.642 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.991 -2.572 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.243 0.755 6.462 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.884 -0.206 5.686 1.00 0.00 H new ATOM 833 N PHE A 95 5.168 -2.610 4.389 1.00 0.00 N ATOM 834 CA PHE A 95 6.629 -2.488 4.363 1.00 0.00 C ATOM 835 C PHE A 95 7.075 -1.147 4.966 1.00 0.00 C ATOM 836 O PHE A 95 6.278 -0.211 5.059 1.00 0.00 O ATOM 837 CB PHE A 95 7.146 -2.601 2.924 1.00 0.00 C ATOM 838 CG PHE A 95 6.552 -3.744 2.148 1.00 0.00 C ATOM 839 CD1 PHE A 95 7.149 -4.993 2.164 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.394 -3.567 1.408 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.604 -6.046 1.455 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.843 -4.615 0.698 1.00 0.00 C ATOM 843 CZ PHE A 95 5.447 -5.856 0.721 1.00 0.00 C ATOM 0 H PHE A 95 4.672 -1.727 4.269 1.00 0.00 H new ATOM 0 HA PHE A 95 7.046 -3.298 4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.934 -1.670 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.230 -2.715 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 95 8.051 -5.146 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.917 -2.598 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.080 -7.015 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.940 -4.464 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.017 -6.677 0.167 1.00 0.00 H new ATOM 853 N PRO A 96 8.357 -1.029 5.382 1.00 0.00 N ATOM 854 CA PRO A 96 9.344 -2.115 5.294 1.00 0.00 C ATOM 855 C PRO A 96 9.002 -3.291 6.202 1.00 0.00 C ATOM 856 O PRO A 96 9.160 -4.448 5.812 1.00 0.00 O ATOM 857 CB PRO A 96 10.653 -1.459 5.745 1.00 0.00 C ATOM 858 CG PRO A 96 10.236 -0.288 6.565 1.00 0.00 C ATOM 859 CD PRO A 96 8.936 0.189 5.980 1.00 0.00 C ATOM 0 HA PRO A 96 9.388 -2.534 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.261 -2.151 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.253 -1.148 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.113 -0.569 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.990 0.499 6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.283 0.610 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.094 0.966 5.233 1.00 0.00 H new ATOM 867 N ASP A 97 8.525 -2.982 7.407 1.00 0.00 N ATOM 868 CA ASP A 97 8.151 -4.009 8.374 1.00 0.00 C ATOM 869 C ASP A 97 7.205 -5.020 7.735 1.00 0.00 C ATOM 870 O ASP A 97 6.073 -4.683 7.390 1.00 0.00 O ATOM 871 CB ASP A 97 7.481 -3.379 9.603 1.00 0.00 C ATOM 872 CG ASP A 97 7.874 -4.063 10.900 1.00 0.00 C ATOM 873 OD1 ASP A 97 7.840 -5.311 10.952 1.00 0.00 O ATOM 874 OD2 ASP A 97 8.209 -3.348 11.868 1.00 0.00 O ATOM 0 H ASP A 97 8.389 -2.026 7.736 1.00 0.00 H new ATOM 0 HA ASP A 97 9.059 -4.521 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.750 -2.324 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.398 -3.426 9.486 1.00 0.00 H new ATOM 879 N PHE A 98 7.687 -6.252 7.569 1.00 0.00 N ATOM 880 CA PHE A 98 6.896 -7.321 6.960 1.00 0.00 C ATOM 881 C PHE A 98 5.610 -7.580 7.747 1.00 0.00 C ATOM 882 O PHE A 98 5.535 -8.510 8.554 1.00 0.00 O ATOM 883 CB PHE A 98 7.719 -8.610 6.863 1.00 0.00 C ATOM 884 CG PHE A 98 8.771 -8.578 5.788 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.436 -8.277 4.475 1.00 0.00 C ATOM 886 CD2 PHE A 98 10.096 -8.854 6.088 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.401 -8.251 3.487 1.00 0.00 C ATOM 888 CE2 PHE A 98 11.065 -8.829 5.103 1.00 0.00 C ATOM 889 CZ PHE A 98 10.718 -8.528 3.802 1.00 0.00 C ATOM 0 H PHE A 98 8.626 -6.535 7.849 1.00 0.00 H new ATOM 0 HA PHE A 98 6.621 -6.997 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.200 -8.797 7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.046 -9.447 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.408 -8.061 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.374 -9.092 7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.127 -8.014 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.094 -9.045 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.474 -8.509 3.031 1.00 0.00 H new ATOM 899 N ASN A 99 4.605 -6.747 7.499 1.00 0.00 N ATOM 900 CA ASN A 99 3.312 -6.862 8.165 1.00 0.00 C ATOM 901 C ASN A 99 2.198 -6.962 7.125 1.00 0.00 C ATOM 902 O ASN A 99 2.474 -7.073 5.931 1.00 0.00 O ATOM 903 CB ASN A 99 3.085 -5.656 9.082 1.00 0.00 C ATOM 904 CG ASN A 99 3.309 -5.983 10.549 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.089 -6.873 10.886 1.00 0.00 O ATOM 906 ND2 ASN A 99 2.621 -5.265 11.431 1.00 0.00 N ATOM 0 H ASN A 99 4.663 -5.976 6.834 1.00 0.00 H new ATOM 0 HA ASN A 99 3.302 -7.766 8.774 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.756 -4.850 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.068 -5.289 8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.730 -5.443 12.429 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.984 -4.536 11.109 1.00 0.00 H new ATOM 913 N PHE A 100 0.944 -6.927 7.570 1.00 0.00 N ATOM 914 CA PHE A 100 -0.190 -7.015 6.649 1.00 0.00 C ATOM 915 C PHE A 100 -1.445 -6.396 7.255 1.00 0.00 C ATOM 916 O PHE A 100 -1.438 -5.954 8.406 1.00 0.00 O ATOM 917 CB PHE A 100 -0.470 -8.473 6.255 1.00 0.00 C ATOM 918 CG PHE A 100 -0.013 -9.476 7.274 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.309 -9.881 7.314 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.904 -10.004 8.193 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.737 -10.797 8.252 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.484 -10.920 9.133 1.00 0.00 C ATOM 923 CZ PHE A 100 0.840 -11.319 9.164 1.00 0.00 C ATOM 0 H PHE A 100 0.687 -6.839 8.553 1.00 0.00 H new ATOM 0 HA PHE A 100 0.078 -6.454 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.541 -8.596 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.022 -8.684 5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.014 -9.476 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.939 -9.695 8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.772 -11.106 8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.188 -11.326 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.172 -12.037 9.899 1.00 0.00 H new ATOM 933 N ALA A 101 -2.521 -6.363 6.470 1.00 0.00 N ATOM 934 CA ALA A 101 -3.783 -5.794 6.926 1.00 0.00 C ATOM 935 C ALA A 101 -4.955 -6.262 6.064 1.00 0.00 C ATOM 936 O ALA A 101 -4.788 -6.567 4.879 1.00 0.00 O ATOM 937 CB ALA A 101 -3.698 -4.274 6.916 1.00 0.00 C ATOM 0 H ALA A 101 -2.542 -6.724 5.516 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.961 -6.142 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.644 -3.854 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.897 -3.950 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.492 -3.928 5.903 1.00 0.00 H new ATOM 943 N TRP A 102 -6.144 -6.301 6.666 1.00 0.00 N ATOM 944 CA TRP A 102 -7.354 -6.712 5.963 1.00 0.00 C ATOM 945 C TRP A 102 -8.342 -5.548 5.891 1.00 0.00 C ATOM 946 O TRP A 102 -8.986 -5.203 6.885 1.00 0.00 O ATOM 947 CB TRP A 102 -8.004 -7.928 6.650 1.00 0.00 C ATOM 948 CG TRP A 102 -7.968 -7.883 8.153 1.00 0.00 C ATOM 949 CD1 TRP A 102 -6.901 -8.163 8.960 1.00 0.00 C ATOM 950 CD2 TRP A 102 -9.053 -7.549 9.028 1.00 0.00 C ATOM 951 NE1 TRP A 102 -7.255 -8.018 10.280 1.00 0.00 N ATOM 952 CE2 TRP A 102 -8.571 -7.643 10.348 1.00 0.00 C ATOM 953 CE3 TRP A 102 -10.384 -7.175 8.823 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -9.376 -7.380 11.456 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -11.180 -6.915 9.922 1.00 0.00 C ATOM 956 CH2 TRP A 102 -10.674 -7.017 11.223 1.00 0.00 C ATOM 0 H TRP A 102 -6.293 -6.051 7.644 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.079 -7.004 4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.042 -8.002 6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.499 -8.833 6.313 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.922 -8.456 8.611 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.638 -8.166 11.079 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -10.783 -7.091 7.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -8.989 -7.460 12.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.211 -6.628 9.775 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -11.322 -6.805 12.060 1.00 0.00 H new ATOM 967 N VAL A 103 -8.448 -4.943 4.708 1.00 0.00 N ATOM 968 CA VAL A 103 -9.347 -3.808 4.494 1.00 0.00 C ATOM 969 C VAL A 103 -10.033 -3.897 3.131 1.00 0.00 C ATOM 970 O VAL A 103 -9.596 -4.640 2.254 1.00 0.00 O ATOM 971 CB VAL A 103 -8.594 -2.463 4.588 1.00 0.00 C ATOM 972 CG1 VAL A 103 -8.057 -2.243 5.994 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.470 -2.401 3.563 1.00 0.00 C ATOM 0 H VAL A 103 -7.921 -5.221 3.880 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.099 -3.851 5.282 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.299 -1.662 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.530 -1.290 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.885 -2.232 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.370 -3.049 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.953 -1.445 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.765 -3.212 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -7.886 -2.502 2.560 1.00 0.00 H new ATOM 983 N LYS A 104 -11.107 -3.128 2.961 1.00 0.00 N ATOM 984 CA LYS A 104 -11.852 -3.115 1.703 1.00 0.00 C ATOM 985 C LYS A 104 -11.164 -2.231 0.660 1.00 0.00 C ATOM 986 O LYS A 104 -10.282 -1.435 0.990 1.00 0.00 O ATOM 987 CB LYS A 104 -13.280 -2.618 1.940 1.00 0.00 C ATOM 988 CG LYS A 104 -14.296 -3.174 0.955 1.00 0.00 C ATOM 989 CD LYS A 104 -15.654 -3.373 1.609 1.00 0.00 C ATOM 990 CE LYS A 104 -16.521 -4.342 0.818 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.958 -3.949 0.832 1.00 0.00 N ATOM 0 H LYS A 104 -11.481 -2.506 3.678 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.882 -4.136 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.585 -2.886 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.290 -1.530 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.394 -2.494 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.939 -4.125 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.518 -3.750 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.163 -2.413 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.168 -4.386 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.416 -5.344 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.511 -4.636 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.304 -3.932 1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.063 -3.004 0.412 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.587 -2.371 -0.600 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.028 -1.582 -1.702 1.00 0.00 C ATOM 1007 C ARG A 105 -11.191 -0.078 -1.459 1.00 0.00 C ATOM 1008 O ARG A 105 -10.440 0.725 -2.011 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.700 -1.963 -3.024 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.237 -3.300 -3.580 1.00 0.00 C ATOM 1011 CD ARG A 105 -12.091 -4.452 -3.066 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.518 -4.226 -3.295 1.00 0.00 N ATOM 1013 CZ ARG A 105 -14.128 -4.410 -4.470 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -13.438 -4.834 -5.528 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -15.429 -4.170 -4.588 1.00 0.00 N ATOM 0 H ARG A 105 -12.317 -3.025 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.963 -1.806 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.780 -1.995 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.501 -1.184 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.278 -3.275 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.196 -3.468 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.787 -5.375 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.913 -4.587 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.083 -3.908 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.439 -5.020 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.909 -4.973 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.963 -3.845 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.894 -4.310 -5.485 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.173 0.296 -0.634 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.427 1.702 -0.322 1.00 0.00 C ATOM 1031 C ASN A 106 -11.178 2.373 0.245 1.00 0.00 C ATOM 1032 O ASN A 106 -10.856 3.506 -0.114 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.580 1.831 0.676 1.00 0.00 C ATOM 1034 CG ASN A 106 -14.941 1.798 0.006 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.056 1.966 -1.208 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.989 1.583 0.795 1.00 0.00 N ATOM 0 H ASN A 106 -12.805 -0.357 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.700 2.204 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.518 1.021 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.474 2.765 1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.928 1.553 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.854 1.448 1.797 1.00 0.00 H new ATOM 1043 N SER A 107 -10.478 1.665 1.131 1.00 0.00 N ATOM 1044 CA SER A 107 -9.261 2.192 1.742 1.00 0.00 C ATOM 1045 C SER A 107 -8.010 1.724 0.989 1.00 0.00 C ATOM 1046 O SER A 107 -6.903 1.775 1.527 1.00 0.00 O ATOM 1047 CB SER A 107 -9.180 1.764 3.209 1.00 0.00 C ATOM 1048 OG SER A 107 -10.262 2.297 3.955 1.00 0.00 O ATOM 0 H SER A 107 -10.733 0.727 1.440 1.00 0.00 H new ATOM 0 HA SER A 107 -9.302 3.280 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.189 0.676 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.237 2.101 3.638 1.00 0.00 H new ATOM 0 HG SER A 107 -10.189 2.008 4.889 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.189 1.274 -0.257 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.072 0.802 -1.073 1.00 0.00 C ATOM 1056 C VAL A 108 -7.075 1.462 -2.454 1.00 0.00 C ATOM 1057 O VAL A 108 -8.134 1.771 -3.001 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.117 -0.732 -1.249 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -5.916 -1.221 -2.048 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.182 -1.429 0.105 1.00 0.00 C ATOM 0 H VAL A 108 -9.097 1.228 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.158 1.077 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.020 -0.982 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.969 -2.304 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.920 -0.755 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.998 -0.955 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.213 -2.509 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.301 -1.168 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.079 -1.110 0.636 1.00 0.00 H new ATOM 1070 N LYS A 109 -5.880 1.673 -3.012 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.740 2.292 -4.330 1.00 0.00 C ATOM 1072 C LYS A 109 -4.598 1.652 -5.121 1.00 0.00 C ATOM 1073 O LYS A 109 -3.593 1.237 -4.546 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.492 3.796 -4.190 1.00 0.00 C ATOM 1075 CG LYS A 109 -6.753 4.598 -3.908 1.00 0.00 C ATOM 1076 CD LYS A 109 -7.091 5.533 -5.060 1.00 0.00 C ATOM 1077 CE LYS A 109 -8.282 6.424 -4.729 1.00 0.00 C ATOM 1078 NZ LYS A 109 -9.348 6.350 -5.770 1.00 0.00 N ATOM 0 H LYS A 109 -4.995 1.423 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.671 2.131 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -4.777 3.964 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.033 4.167 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.587 3.917 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.619 5.178 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.225 6.153 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.311 4.947 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.697 6.130 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.945 7.456 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.138 6.972 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.961 6.656 -6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.690 5.371 -5.848 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.740 1.568 -6.459 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.715 0.978 -7.330 1.00 0.00 C ATOM 1094 C PRO A 110 -2.457 1.842 -7.416 1.00 0.00 C ATOM 1095 O PRO A 110 -2.481 2.936 -7.984 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.409 0.896 -8.693 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.449 1.963 -8.654 1.00 0.00 C ATOM 1098 CD PRO A 110 -5.909 2.044 -7.225 1.00 0.00 C ATOM 0 HA PRO A 110 -3.369 0.014 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.703 1.061 -9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.855 -0.086 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.041 2.917 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.279 1.722 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.182 3.062 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.785 1.420 -7.049 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.359 1.340 -6.851 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.089 2.063 -6.865 1.00 0.00 C ATOM 1108 C LEU A 111 0.745 1.669 -8.083 1.00 0.00 C ATOM 1109 O LEU A 111 0.806 0.494 -8.448 1.00 0.00 O ATOM 1110 CB LEU A 111 0.696 1.787 -5.576 1.00 0.00 C ATOM 1111 CG LEU A 111 1.147 3.031 -4.803 1.00 0.00 C ATOM 1112 CD1 LEU A 111 2.032 2.638 -3.630 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.875 4.002 -5.721 1.00 0.00 C ATOM 0 H LEU A 111 -1.324 0.437 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.305 3.130 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.078 1.175 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.577 1.196 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 111 0.260 3.531 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.343 3.534 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.476 1.986 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.913 2.112 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.186 4.878 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.753 3.514 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.208 4.311 -6.526 1.00 0.00 H new ATOM 1125 N LEU A 112 1.388 2.659 -8.706 1.00 0.00 N ATOM 1126 CA LEU A 112 2.219 2.414 -9.882 1.00 0.00 C ATOM 1127 C LEU A 112 3.696 2.619 -9.564 1.00 0.00 C ATOM 1128 O LEU A 112 4.050 3.065 -8.472 1.00 0.00 O ATOM 1129 CB LEU A 112 1.813 3.340 -11.030 1.00 0.00 C ATOM 1130 CG LEU A 112 0.331 3.319 -11.405 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.089 4.186 -12.628 1.00 0.00 C ATOM 1132 CD2 LEU A 112 -0.140 1.892 -11.660 1.00 0.00 C ATOM 0 H LEU A 112 1.348 3.636 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 112 2.065 1.378 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.087 4.361 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.396 3.073 -11.911 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.243 3.722 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.970 4.164 -12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.388 5.212 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.675 3.806 -13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.197 1.900 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.436 1.459 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.004 1.295 -10.759 1.00 0.00 H new ATOM 1144 N ASP A 113 4.550 2.303 -10.534 1.00 0.00 N ATOM 1145 CA ASP A 113 5.994 2.465 -10.365 1.00 0.00 C ATOM 1146 C ASP A 113 6.374 3.943 -10.333 1.00 0.00 C ATOM 1147 O ASP A 113 7.285 4.340 -9.604 1.00 0.00 O ATOM 1148 CB ASP A 113 6.757 1.752 -11.483 1.00 0.00 C ATOM 1149 CG ASP A 113 8.033 1.104 -10.980 1.00 0.00 C ATOM 1150 OD1 ASP A 113 7.938 0.116 -10.222 1.00 0.00 O ATOM 1151 OD2 ASP A 113 9.126 1.588 -11.340 1.00 0.00 O ATOM 0 H ASP A 113 4.270 1.934 -11.443 1.00 0.00 H new ATOM 0 HA ASP A 113 6.270 2.013 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.117 0.992 -11.930 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.000 2.467 -12.269 1.00 0.00 H new ATOM 1156 N SER A 114 5.665 4.753 -11.119 1.00 0.00 N ATOM 1157 CA SER A 114 5.923 6.189 -11.172 1.00 0.00 C ATOM 1158 C SER A 114 5.381 6.884 -9.921 1.00 0.00 C ATOM 1159 O SER A 114 5.960 7.864 -9.452 1.00 0.00 O ATOM 1160 CB SER A 114 5.291 6.803 -12.425 1.00 0.00 C ATOM 1161 OG SER A 114 6.136 7.791 -12.988 1.00 0.00 O ATOM 0 H SER A 114 4.909 4.438 -11.727 1.00 0.00 H new ATOM 0 HA SER A 114 7.002 6.336 -11.213 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.099 6.021 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.328 7.245 -12.171 1.00 0.00 H new ATOM 0 HG SER A 114 5.712 8.167 -13.787 1.00 0.00 H new ATOM 1167 N GLU A 115 4.268 6.373 -9.387 1.00 0.00 N ATOM 1168 CA GLU A 115 3.656 6.951 -8.191 1.00 0.00 C ATOM 1169 C GLU A 115 4.527 6.719 -6.955 1.00 0.00 C ATOM 1170 O GLU A 115 4.638 7.594 -6.097 1.00 0.00 O ATOM 1171 CB GLU A 115 2.257 6.367 -7.969 1.00 0.00 C ATOM 1172 CG GLU A 115 1.206 6.934 -8.916 1.00 0.00 C ATOM 1173 CD GLU A 115 0.269 7.930 -8.250 1.00 0.00 C ATOM 1174 OE1 GLU A 115 0.669 8.553 -7.243 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.864 8.095 -8.745 1.00 0.00 O ATOM 0 H GLU A 115 3.775 5.563 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 115 3.569 8.026 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.300 5.285 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.950 6.559 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.706 7.421 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.619 6.114 -9.329 1.00 0.00 H new ATOM 1182 N ILE A 116 5.151 5.547 -6.875 1.00 0.00 N ATOM 1183 CA ILE A 116 6.022 5.226 -5.748 1.00 0.00 C ATOM 1184 C ILE A 116 7.355 5.957 -5.891 1.00 0.00 C ATOM 1185 O ILE A 116 7.884 6.503 -4.921 1.00 0.00 O ATOM 1186 CB ILE A 116 6.278 3.703 -5.629 1.00 0.00 C ATOM 1187 CG1 ILE A 116 4.953 2.943 -5.531 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.157 3.396 -4.423 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.078 1.466 -5.838 1.00 0.00 C ATOM 0 H ILE A 116 5.071 4.807 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 116 5.514 5.553 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 116 6.801 3.374 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.548 3.064 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.236 3.389 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.324 2.321 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.114 3.906 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.663 3.741 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.101 0.992 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.453 1.336 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.770 1.005 -5.133 1.00 0.00 H new ATOM 1201 N ALA A 117 7.877 5.978 -7.116 1.00 0.00 N ATOM 1202 CA ALA A 117 9.136 6.653 -7.419 1.00 0.00 C ATOM 1203 C ALA A 117 9.080 8.118 -7.009 1.00 0.00 C ATOM 1204 O ALA A 117 9.872 8.582 -6.188 1.00 0.00 O ATOM 1205 CB ALA A 117 9.415 6.558 -8.908 1.00 0.00 C ATOM 0 H ALA A 117 7.441 5.530 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 117 9.933 6.165 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.355 7.062 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.486 5.510 -9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.605 7.034 -9.461 1.00 0.00 H new ATOM 1211 N LYS A 118 8.130 8.834 -7.601 1.00 0.00 N ATOM 1212 CA LYS A 118 7.936 10.251 -7.330 1.00 0.00 C ATOM 1213 C LYS A 118 7.607 10.492 -5.861 1.00 0.00 C ATOM 1214 O LYS A 118 8.067 11.472 -5.274 1.00 0.00 O ATOM 1215 CB LYS A 118 6.824 10.789 -8.234 1.00 0.00 C ATOM 1216 CG LYS A 118 5.591 11.286 -7.504 1.00 0.00 C ATOM 1217 CD LYS A 118 4.647 10.134 -7.224 1.00 0.00 C ATOM 1218 CE LYS A 118 3.236 10.435 -7.703 1.00 0.00 C ATOM 1219 NZ LYS A 118 3.094 10.273 -9.179 1.00 0.00 N ATOM 0 H LYS A 118 7.475 8.448 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 118 8.863 10.783 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.227 11.605 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.526 10.002 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.882 11.763 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.085 12.043 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.015 9.234 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.632 9.928 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.534 9.772 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.969 11.454 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.719 11.151 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.024 10.065 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.441 9.490 -9.381 1.00 0.00 H new ATOM 1233 N PHE A 119 6.801 9.604 -5.275 1.00 0.00 N ATOM 1234 CA PHE A 119 6.413 9.739 -3.866 1.00 0.00 C ATOM 1235 C PHE A 119 7.635 9.991 -2.990 1.00 0.00 C ATOM 1236 O PHE A 119 7.675 10.960 -2.231 1.00 0.00 O ATOM 1237 CB PHE A 119 5.673 8.489 -3.376 1.00 0.00 C ATOM 1238 CG PHE A 119 5.441 8.462 -1.886 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.466 8.113 -1.019 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.199 8.774 -1.357 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.257 8.077 0.344 1.00 0.00 C ATOM 1242 CE2 PHE A 119 3.985 8.739 0.008 1.00 0.00 C ATOM 1243 CZ PHE A 119 5.017 8.389 0.856 1.00 0.00 C ATOM 0 H PHE A 119 6.407 8.791 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 119 5.741 10.594 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.711 8.425 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.244 7.605 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.440 7.866 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.390 9.047 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.064 7.805 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 119 3.013 8.985 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.852 8.360 1.923 1.00 0.00 H new ATOM 1253 N LEU A 120 8.629 9.114 -3.099 1.00 0.00 N ATOM 1254 CA LEU A 120 9.850 9.249 -2.315 1.00 0.00 C ATOM 1255 C LEU A 120 10.558 10.562 -2.638 1.00 0.00 C ATOM 1256 O LEU A 120 11.188 11.168 -1.768 1.00 0.00 O ATOM 1257 CB LEU A 120 10.784 8.077 -2.578 1.00 0.00 C ATOM 1258 CG LEU A 120 10.215 6.704 -2.205 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.477 5.697 -3.315 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.810 6.221 -0.890 1.00 0.00 C ATOM 0 H LEU A 120 8.612 8.305 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 120 9.576 9.252 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.046 8.070 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.708 8.235 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 120 9.137 6.800 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.066 4.728 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.002 6.038 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.551 5.603 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.395 5.245 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.893 6.141 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.569 6.931 -0.099 1.00 0.00 H new ATOM 1272 N GLY A 121 10.432 11.005 -3.889 1.00 0.00 N ATOM 1273 CA GLY A 121 11.043 12.254 -4.303 1.00 0.00 C ATOM 1274 C GLY A 121 10.065 13.419 -4.234 1.00 0.00 C ATOM 1275 O GLY A 121 10.219 14.404 -4.959 1.00 0.00 O ATOM 0 H GLY A 121 9.916 10.518 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.903 12.465 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.417 12.154 -5.322 1.00 0.00 H new ATOM 1369 N SER A 127 9.160 11.981 5.377 1.00 0.00 N ATOM 1370 CA SER A 127 9.521 11.438 6.684 1.00 0.00 C ATOM 1371 C SER A 127 10.317 10.144 6.528 1.00 0.00 C ATOM 1372 O SER A 127 10.060 9.360 5.616 1.00 0.00 O ATOM 1373 CB SER A 127 8.262 11.187 7.521 1.00 0.00 C ATOM 1374 OG SER A 127 7.931 12.326 8.297 1.00 0.00 O ATOM 0 HA SER A 127 10.146 12.168 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.429 10.936 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.421 10.330 8.176 1.00 0.00 H new ATOM 0 HG SER A 127 7.123 12.142 8.821 1.00 0.00 H new ATOM 1380 N LYS A 128 11.280 9.926 7.425 1.00 0.00 N ATOM 1381 CA LYS A 128 12.114 8.721 7.386 1.00 0.00 C ATOM 1382 C LYS A 128 11.247 7.465 7.382 1.00 0.00 C ATOM 1383 O LYS A 128 11.511 6.520 6.637 1.00 0.00 O ATOM 1384 CB LYS A 128 13.075 8.690 8.579 1.00 0.00 C ATOM 1385 CG LYS A 128 14.324 7.853 8.334 1.00 0.00 C ATOM 1386 CD LYS A 128 14.868 7.265 9.628 1.00 0.00 C ATOM 1387 CE LYS A 128 14.184 5.951 9.976 1.00 0.00 C ATOM 1388 NZ LYS A 128 14.373 5.587 11.408 1.00 0.00 N ATOM 0 H LYS A 128 11.503 10.567 8.187 1.00 0.00 H new ATOM 0 HA LYS A 128 12.698 8.745 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.373 9.710 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.549 8.296 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.092 7.048 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.090 8.470 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.942 7.103 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.725 7.977 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.119 6.028 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 128 14.582 5.157 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.892 4.686 11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.388 5.488 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.971 6.332 12.012 1.00 0.00 H new ATOM 1402 N GLU A 129 10.203 7.471 8.212 1.00 0.00 N ATOM 1403 CA GLU A 129 9.282 6.344 8.298 1.00 0.00 C ATOM 1404 C GLU A 129 8.462 6.215 7.015 1.00 0.00 C ATOM 1405 O GLU A 129 8.133 5.106 6.590 1.00 0.00 O ATOM 1406 CB GLU A 129 8.345 6.508 9.500 1.00 0.00 C ATOM 1407 CG GLU A 129 8.954 6.053 10.818 1.00 0.00 C ATOM 1408 CD GLU A 129 8.016 6.234 12.000 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.782 6.228 11.795 1.00 0.00 O ATOM 1410 OE2 GLU A 129 8.518 6.381 13.134 1.00 0.00 O ATOM 0 H GLU A 129 9.976 8.247 8.834 1.00 0.00 H new ATOM 0 HA GLU A 129 9.871 5.436 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.058 7.556 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.432 5.942 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.232 5.002 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.871 6.613 11.000 1.00 0.00 H new ATOM 1417 N LEU A 130 8.134 7.355 6.400 1.00 0.00 N ATOM 1418 CA LEU A 130 7.351 7.354 5.163 1.00 0.00 C ATOM 1419 C LEU A 130 8.208 6.939 3.971 1.00 0.00 C ATOM 1420 O LEU A 130 7.780 6.132 3.146 1.00 0.00 O ATOM 1421 CB LEU A 130 6.722 8.728 4.906 1.00 0.00 C ATOM 1422 CG LEU A 130 5.264 8.873 5.359 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.939 10.328 5.662 1.00 0.00 C ATOM 1424 CD2 LEU A 130 4.316 8.323 4.300 1.00 0.00 C ATOM 0 H LEU A 130 8.396 8.282 6.735 1.00 0.00 H new ATOM 0 HA LEU A 130 6.550 6.625 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.320 9.485 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.777 8.941 3.838 1.00 0.00 H new ATOM 0 HG LEU A 130 5.131 8.294 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.900 10.410 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 130 5.593 10.689 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.091 10.929 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.286 8.435 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.452 8.873 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.530 7.267 4.133 1.00 0.00 H new ATOM 1436 N ILE A 131 9.421 7.487 3.881 1.00 0.00 N ATOM 1437 CA ILE A 131 10.320 7.154 2.782 1.00 0.00 C ATOM 1438 C ILE A 131 10.666 5.670 2.805 1.00 0.00 C ATOM 1439 O ILE A 131 10.535 4.980 1.795 1.00 0.00 O ATOM 1440 CB ILE A 131 11.625 7.976 2.817 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.322 9.479 2.864 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.483 7.641 1.604 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.249 10.260 3.774 1.00 0.00 C ATOM 0 H ILE A 131 9.798 8.157 4.551 1.00 0.00 H new ATOM 0 HA ILE A 131 9.790 7.401 1.862 1.00 0.00 H new ATOM 0 HB ILE A 131 12.175 7.716 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.390 9.886 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.294 9.623 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.402 8.225 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.728 6.579 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.934 7.879 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 131 11.974 11.314 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.164 9.880 4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.277 10.147 3.429 1.00 0.00 H new ATOM 1455 N GLU A 132 11.095 5.177 3.969 1.00 0.00 N ATOM 1456 CA GLU A 132 11.443 3.767 4.117 1.00 0.00 C ATOM 1457 C GLU A 132 10.281 2.880 3.674 1.00 0.00 C ATOM 1458 O GLU A 132 10.486 1.765 3.195 1.00 0.00 O ATOM 1459 CB GLU A 132 11.818 3.456 5.568 1.00 0.00 C ATOM 1460 CG GLU A 132 13.316 3.434 5.815 1.00 0.00 C ATOM 1461 CD GLU A 132 13.669 2.943 7.206 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.190 3.547 8.190 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.425 1.955 7.312 1.00 0.00 O ATOM 0 H GLU A 132 11.208 5.732 4.817 1.00 0.00 H new ATOM 0 HA GLU A 132 12.304 3.559 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.361 4.200 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.398 2.489 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.793 2.792 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.719 4.437 5.674 1.00 0.00 H new ATOM 1470 N ALA A 133 9.058 3.390 3.833 1.00 0.00 N ATOM 1471 CA ALA A 133 7.862 2.656 3.447 1.00 0.00 C ATOM 1472 C ALA A 133 7.798 2.455 1.945 1.00 0.00 C ATOM 1473 O ALA A 133 7.737 1.323 1.463 1.00 0.00 O ATOM 1474 CB ALA A 133 6.619 3.386 3.927 1.00 0.00 C ATOM 0 H ALA A 133 8.875 4.312 4.228 1.00 0.00 H new ATOM 0 HA ALA A 133 7.906 1.674 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.732 2.826 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.647 3.476 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.586 4.380 3.481 1.00 0.00 H new ATOM 1480 N TYR A 134 7.815 3.560 1.209 1.00 0.00 N ATOM 1481 CA TYR A 134 7.763 3.495 -0.247 1.00 0.00 C ATOM 1482 C TYR A 134 9.050 2.892 -0.799 1.00 0.00 C ATOM 1483 O TYR A 134 9.036 2.235 -1.839 1.00 0.00 O ATOM 1484 CB TYR A 134 7.509 4.880 -0.846 1.00 0.00 C ATOM 1485 CG TYR A 134 6.046 5.141 -1.141 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.102 5.180 -0.120 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.611 5.351 -2.441 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.768 5.421 -0.393 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.280 5.595 -2.719 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.365 5.629 -1.694 1.00 0.00 C ATOM 1491 OH TYR A 134 2.042 5.879 -1.973 1.00 0.00 O ATOM 0 H TYR A 134 7.864 4.504 1.592 1.00 0.00 H new ATOM 0 HA TYR A 134 6.932 2.850 -0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.876 5.640 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.083 4.982 -1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.416 5.020 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.325 5.323 -3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.046 5.446 0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.960 5.758 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 134 1.929 6.004 -2.938 1.00 0.00 H new ATOM 1501 N GLU A 135 10.154 3.095 -0.082 1.00 0.00 N ATOM 1502 CA GLU A 135 11.442 2.548 -0.484 1.00 0.00 C ATOM 1503 C GLU A 135 11.432 1.026 -0.348 1.00 0.00 C ATOM 1504 O GLU A 135 12.090 0.323 -1.115 1.00 0.00 O ATOM 1505 CB GLU A 135 12.562 3.141 0.372 1.00 0.00 C ATOM 1506 CG GLU A 135 13.949 2.971 -0.229 1.00 0.00 C ATOM 1507 CD GLU A 135 14.900 4.081 0.177 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.658 5.243 -0.213 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.887 3.787 0.884 1.00 0.00 O ATOM 0 H GLU A 135 10.179 3.636 0.782 1.00 0.00 H new ATOM 0 HA GLU A 135 11.621 2.810 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.369 4.203 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.542 2.672 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.361 2.012 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.869 2.945 -1.316 1.00 0.00 H new ATOM 1516 N ALA A 136 10.671 0.524 0.633 1.00 0.00 N ATOM 1517 CA ALA A 136 10.570 -0.916 0.862 1.00 0.00 C ATOM 1518 C ALA A 136 9.670 -1.576 -0.183 1.00 0.00 C ATOM 1519 O ALA A 136 9.963 -2.672 -0.661 1.00 0.00 O ATOM 1520 CB ALA A 136 10.046 -1.197 2.263 1.00 0.00 C ATOM 0 H ALA A 136 10.120 1.093 1.276 1.00 0.00 H new ATOM 0 HA ALA A 136 11.569 -1.343 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.977 -2.274 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.727 -0.768 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 136 9.059 -0.750 2.379 1.00 0.00 H new ATOM 1526 N SER A 137 8.574 -0.897 -0.532 1.00 0.00 N ATOM 1527 CA SER A 137 7.624 -1.408 -1.522 1.00 0.00 C ATOM 1528 C SER A 137 8.114 -1.179 -2.959 1.00 0.00 C ATOM 1529 O SER A 137 7.653 -1.842 -3.889 1.00 0.00 O ATOM 1530 CB SER A 137 6.255 -0.745 -1.333 1.00 0.00 C ATOM 1531 OG SER A 137 5.739 -1.000 -0.038 1.00 0.00 O ATOM 0 H SER A 137 8.323 0.011 -0.142 1.00 0.00 H new ATOM 0 HA SER A 137 7.538 -2.483 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.344 0.330 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.560 -1.118 -2.085 1.00 0.00 H new ATOM 0 HG SER A 137 5.717 -1.967 0.121 1.00 0.00 H new ATOM 1537 N LYS A 138 9.049 -0.236 -3.134 1.00 0.00 N ATOM 1538 CA LYS A 138 9.602 0.085 -4.456 1.00 0.00 C ATOM 1539 C LYS A 138 10.211 -1.141 -5.144 1.00 0.00 C ATOM 1540 O LYS A 138 10.391 -1.144 -6.362 1.00 0.00 O ATOM 1541 CB LYS A 138 10.663 1.182 -4.327 1.00 0.00 C ATOM 1542 CG LYS A 138 11.048 1.826 -5.651 1.00 0.00 C ATOM 1543 CD LYS A 138 9.905 2.645 -6.233 1.00 0.00 C ATOM 1544 CE LYS A 138 9.982 2.708 -7.752 1.00 0.00 C ATOM 1545 NZ LYS A 138 11.071 3.611 -8.220 1.00 0.00 N ATOM 0 H LYS A 138 9.440 0.320 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 138 8.776 0.435 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.293 1.954 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.556 0.758 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.917 2.467 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.339 1.052 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.953 2.207 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.934 3.655 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.147 1.706 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.028 3.055 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 10.944 3.813 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.039 4.501 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 11.992 3.150 -8.072 1.00 0.00 H new ATOM 1559 N THR A 139 10.536 -2.171 -4.360 1.00 0.00 N ATOM 1560 CA THR A 139 11.130 -3.397 -4.894 1.00 0.00 C ATOM 1561 C THR A 139 10.063 -4.470 -5.141 1.00 0.00 C ATOM 1562 O THR A 139 9.776 -5.281 -4.256 1.00 0.00 O ATOM 1563 CB THR A 139 12.197 -3.930 -3.927 1.00 0.00 C ATOM 1564 OG1 THR A 139 13.102 -2.904 -3.557 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.015 -5.075 -4.495 1.00 0.00 C ATOM 0 H THR A 139 10.397 -2.179 -3.350 1.00 0.00 H new ATOM 0 HA THR A 139 11.596 -3.157 -5.850 1.00 0.00 H new ATOM 0 HB THR A 139 11.638 -4.297 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 139 13.772 -3.266 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.748 -5.400 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 139 12.355 -5.907 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.530 -4.742 -5.396 1.00 0.00 H new