USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot -105:sc= 0.0112 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.0484 X(o=-0.037,f=-0.24) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.0407 X(o=-0.085,f=-0.51) USER MOD Set 2.2: A 36 CYS SG : rot 180:sc= -0.0438 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -45:sc= 0.807 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00395 USER MOD Single : A 23 MET CE :methyl -109:sc= 0 (180deg=-0.399) USER MOD Single : A 24 THR OG1 : rot -120:sc= -0.0655 USER MOD Single : A 27 SER OG : rot 107:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc=-0.000301 (180deg=-0.133) USER MOD Single : A 42 ASN : amide:sc= 0.691 K(o=0.69,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0.558 (180deg=0.542) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -31:sc= 0.0104 USER MOD Single : A 52 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.47) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 179:sc= 0 (180deg=-0.00372) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0556 USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.062) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 63 MET CE :methyl 158:sc= -0.607 (180deg=-1.67) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.249 USER MOD Single : A 71 THR OG1 : rot -88:sc= 1.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 74 SER OG : rot -94:sc= 1.27 USER MOD Single : A 78 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -169:sc= 0.0623 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.542 5.512 -15.368 1.00 0.00 N ATOM 2 CA GLY A 1 -15.820 6.621 -16.003 1.00 0.00 C ATOM 3 C GLY A 1 -15.032 6.116 -17.184 1.00 0.00 C ATOM 4 O GLY A 1 -15.626 5.517 -18.076 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.082 5.870 -14.555 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.194 5.083 -16.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.862 4.796 -15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.525 7.386 -16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.150 7.089 -15.282 1.00 0.00 H new ATOM 8 N SER A 2 -13.712 6.339 -17.220 1.00 0.00 N ATOM 9 CA SER A 2 -12.895 5.871 -18.335 1.00 0.00 C ATOM 10 C SER A 2 -12.850 4.335 -18.415 1.00 0.00 C ATOM 11 O SER A 2 -12.576 3.812 -19.496 1.00 0.00 O ATOM 12 CB SER A 2 -11.487 6.470 -18.254 1.00 0.00 C ATOM 13 OG SER A 2 -11.517 7.888 -18.170 1.00 0.00 O ATOM 0 H SER A 2 -13.195 6.836 -16.495 1.00 0.00 H new ATOM 0 HA SER A 2 -13.363 6.216 -19.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.970 6.066 -17.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.914 6.171 -19.132 1.00 0.00 H new ATOM 0 HG SER A 2 -10.601 8.232 -18.118 1.00 0.00 H new ATOM 19 N SER A 3 -13.139 3.616 -17.319 1.00 0.00 N ATOM 20 CA SER A 3 -13.165 2.155 -17.228 1.00 0.00 C ATOM 21 C SER A 3 -11.880 1.450 -17.715 1.00 0.00 C ATOM 22 O SER A 3 -11.941 0.269 -18.068 1.00 0.00 O ATOM 23 CB SER A 3 -14.442 1.652 -17.929 1.00 0.00 C ATOM 24 OG SER A 3 -14.626 0.260 -17.731 1.00 0.00 O ATOM 0 H SER A 3 -13.371 4.063 -16.432 1.00 0.00 H new ATOM 0 HA SER A 3 -13.192 1.882 -16.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.307 2.193 -17.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.381 1.864 -18.996 1.00 0.00 H new ATOM 0 HG SER A 3 -13.777 -0.206 -17.878 1.00 0.00 H new ATOM 30 N GLY A 4 -10.734 2.132 -17.750 1.00 0.00 N ATOM 31 CA GLY A 4 -9.479 1.547 -18.204 1.00 0.00 C ATOM 32 C GLY A 4 -8.500 2.623 -18.650 1.00 0.00 C ATOM 33 O GLY A 4 -7.972 2.550 -19.760 1.00 0.00 O ATOM 0 H GLY A 4 -10.654 3.107 -17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.036 0.960 -17.399 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.672 0.862 -19.030 1.00 0.00 H new ATOM 37 N SER A 5 -8.293 3.643 -17.813 1.00 0.00 N ATOM 38 CA SER A 5 -7.382 4.745 -18.081 1.00 0.00 C ATOM 39 C SER A 5 -5.952 4.284 -17.765 1.00 0.00 C ATOM 40 O SER A 5 -5.408 4.610 -16.709 1.00 0.00 O ATOM 41 CB SER A 5 -7.830 5.968 -17.263 1.00 0.00 C ATOM 42 OG SER A 5 -7.369 7.185 -17.804 1.00 0.00 O ATOM 0 H SER A 5 -8.767 3.722 -16.913 1.00 0.00 H new ATOM 0 HA SER A 5 -7.398 5.044 -19.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.919 5.987 -17.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.466 5.869 -16.240 1.00 0.00 H new ATOM 0 HG SER A 5 -7.682 7.929 -17.249 1.00 0.00 H new ATOM 48 N SER A 6 -5.348 3.513 -18.674 1.00 0.00 N ATOM 49 CA SER A 6 -3.986 2.974 -18.570 1.00 0.00 C ATOM 50 C SER A 6 -3.768 2.098 -17.317 1.00 0.00 C ATOM 51 O SER A 6 -4.716 1.845 -16.566 1.00 0.00 O ATOM 52 CB SER A 6 -2.986 4.130 -18.751 1.00 0.00 C ATOM 53 OG SER A 6 -3.350 4.923 -19.878 1.00 0.00 O ATOM 0 H SER A 6 -5.813 3.235 -19.539 1.00 0.00 H new ATOM 0 HA SER A 6 -3.809 2.262 -19.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.967 4.748 -17.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.980 3.733 -18.886 1.00 0.00 H new ATOM 0 HG SER A 6 -2.708 5.656 -19.983 1.00 0.00 H new ATOM 59 N GLY A 7 -2.565 1.554 -17.105 1.00 0.00 N ATOM 60 CA GLY A 7 -2.263 0.698 -15.959 1.00 0.00 C ATOM 61 C GLY A 7 -0.762 0.638 -15.700 1.00 0.00 C ATOM 62 O GLY A 7 0.035 1.088 -16.536 1.00 0.00 O ATOM 0 H GLY A 7 -1.771 1.698 -17.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.773 1.077 -15.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.644 -0.307 -16.141 1.00 0.00 H new ATOM 66 N PHE A 8 -0.372 0.057 -14.560 1.00 0.00 N ATOM 67 CA PHE A 8 1.022 -0.061 -14.142 1.00 0.00 C ATOM 68 C PHE A 8 1.271 -1.440 -13.539 1.00 0.00 C ATOM 69 O PHE A 8 0.732 -1.766 -12.483 1.00 0.00 O ATOM 70 CB PHE A 8 1.360 1.053 -13.127 1.00 0.00 C ATOM 71 CG PHE A 8 0.877 2.439 -13.524 1.00 0.00 C ATOM 72 CD1 PHE A 8 -0.415 2.866 -13.152 1.00 0.00 C ATOM 73 CD2 PHE A 8 1.683 3.272 -14.321 1.00 0.00 C ATOM 74 CE1 PHE A 8 -0.914 4.095 -13.614 1.00 0.00 C ATOM 75 CE2 PHE A 8 1.187 4.511 -14.768 1.00 0.00 C ATOM 76 CZ PHE A 8 -0.118 4.914 -14.432 1.00 0.00 C ATOM 0 H PHE A 8 -1.029 -0.350 -13.894 1.00 0.00 H new ATOM 0 HA PHE A 8 1.671 0.054 -15.010 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.923 0.793 -12.163 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.441 1.085 -12.989 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.023 2.246 -12.510 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.682 2.961 -14.590 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.910 4.410 -13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.811 5.154 -15.371 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.507 5.851 -14.802 1.00 0.00 H new ATOM 86 N GLU A 9 2.090 -2.258 -14.192 1.00 0.00 N ATOM 87 CA GLU A 9 2.447 -3.604 -13.753 1.00 0.00 C ATOM 88 C GLU A 9 3.984 -3.693 -13.781 1.00 0.00 C ATOM 89 O GLU A 9 4.563 -4.296 -14.690 1.00 0.00 O ATOM 90 CB GLU A 9 1.664 -4.676 -14.545 1.00 0.00 C ATOM 91 CG GLU A 9 1.808 -4.715 -16.078 1.00 0.00 C ATOM 92 CD GLU A 9 1.179 -3.511 -16.769 1.00 0.00 C ATOM 93 OE1 GLU A 9 -0.059 -3.528 -16.981 1.00 0.00 O ATOM 94 OE2 GLU A 9 1.923 -2.579 -17.153 1.00 0.00 O ATOM 0 H GLU A 9 2.538 -1.995 -15.070 1.00 0.00 H new ATOM 0 HA GLU A 9 2.142 -3.814 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.959 -5.652 -14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.606 -4.549 -14.315 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.866 -4.763 -16.336 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.346 -5.626 -16.457 1.00 0.00 H new ATOM 101 N PRO A 10 4.676 -3.105 -12.783 1.00 0.00 N ATOM 102 CA PRO A 10 6.132 -3.094 -12.732 1.00 0.00 C ATOM 103 C PRO A 10 6.797 -4.471 -12.684 1.00 0.00 C ATOM 104 O PRO A 10 6.193 -5.486 -12.317 1.00 0.00 O ATOM 105 CB PRO A 10 6.515 -2.182 -11.562 1.00 0.00 C ATOM 106 CG PRO A 10 5.289 -2.231 -10.656 1.00 0.00 C ATOM 107 CD PRO A 10 4.135 -2.370 -11.646 1.00 0.00 C ATOM 0 HA PRO A 10 6.522 -2.707 -13.673 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.408 -2.540 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.726 -1.166 -11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.331 -3.073 -9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.197 -1.328 -10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.297 -2.904 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.763 -1.393 -11.953 1.00 0.00 H new ATOM 115 N ARG A 11 8.081 -4.488 -13.049 1.00 0.00 N ATOM 116 CA ARG A 11 8.913 -5.685 -13.101 1.00 0.00 C ATOM 117 C ARG A 11 9.933 -5.731 -11.967 1.00 0.00 C ATOM 118 O ARG A 11 10.196 -4.723 -11.305 1.00 0.00 O ATOM 119 CB ARG A 11 9.646 -5.716 -14.447 1.00 0.00 C ATOM 120 CG ARG A 11 8.715 -5.652 -15.668 1.00 0.00 C ATOM 121 CD ARG A 11 9.523 -6.110 -16.878 1.00 0.00 C ATOM 122 NE ARG A 11 8.745 -6.121 -18.118 1.00 0.00 N ATOM 123 CZ ARG A 11 9.108 -6.759 -19.235 1.00 0.00 C ATOM 124 NH1 ARG A 11 10.275 -7.402 -19.283 1.00 0.00 N ATOM 125 NH2 ARG A 11 8.293 -6.758 -20.283 1.00 0.00 N ATOM 0 H ARG A 11 8.582 -3.643 -13.324 1.00 0.00 H new ATOM 0 HA ARG A 11 8.264 -6.553 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.342 -4.878 -14.489 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.241 -6.628 -14.504 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.845 -6.292 -15.522 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.343 -4.638 -15.815 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.384 -5.453 -17.002 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.911 -7.111 -16.691 1.00 0.00 H new ATOM 0 HE ARG A 11 7.865 -5.606 -18.130 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.889 -7.406 -18.468 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.554 -7.890 -20.134 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.397 -6.273 -20.232 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.563 -7.242 -21.139 1.00 0.00 H new ATOM 139 N SER A 12 10.531 -6.902 -11.764 1.00 0.00 N ATOM 140 CA SER A 12 11.539 -7.144 -10.743 1.00 0.00 C ATOM 141 C SER A 12 12.921 -6.789 -11.291 1.00 0.00 C ATOM 142 O SER A 12 13.222 -7.117 -12.443 1.00 0.00 O ATOM 143 CB SER A 12 11.522 -8.635 -10.398 1.00 0.00 C ATOM 144 OG SER A 12 10.211 -9.048 -10.064 1.00 0.00 O ATOM 0 H SER A 12 10.320 -7.729 -12.322 1.00 0.00 H new ATOM 0 HA SER A 12 11.328 -6.537 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.888 -9.215 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.195 -8.830 -9.563 1.00 0.00 H new ATOM 0 HG SER A 12 10.214 -10.004 -9.847 1.00 0.00 H new ATOM 150 N LEU A 13 13.771 -6.140 -10.495 1.00 0.00 N ATOM 151 CA LEU A 13 15.133 -5.758 -10.875 1.00 0.00 C ATOM 152 C LEU A 13 16.030 -5.748 -9.635 1.00 0.00 C ATOM 153 O LEU A 13 17.160 -6.230 -9.709 1.00 0.00 O ATOM 154 CB LEU A 13 15.134 -4.408 -11.621 1.00 0.00 C ATOM 155 CG LEU A 13 16.332 -4.231 -12.587 1.00 0.00 C ATOM 156 CD1 LEU A 13 15.952 -3.249 -13.700 1.00 0.00 C ATOM 157 CD2 LEU A 13 17.599 -3.688 -11.915 1.00 0.00 C ATOM 0 H LEU A 13 13.527 -5.858 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 13 15.539 -6.494 -11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.206 -4.314 -12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 13 15.145 -3.599 -10.890 1.00 0.00 H new ATOM 0 HG LEU A 13 16.553 -5.228 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.795 -3.125 -14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.096 -3.638 -14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.694 -2.285 -13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.392 -3.592 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.390 -2.711 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.917 -4.374 -11.130 1.00 0.00 H new ATOM 169 N ILE A 14 15.532 -5.255 -8.493 1.00 0.00 N ATOM 170 CA ILE A 14 16.278 -5.192 -7.229 1.00 0.00 C ATOM 171 C ILE A 14 15.480 -5.712 -6.035 1.00 0.00 C ATOM 172 O ILE A 14 15.806 -5.449 -4.876 1.00 0.00 O ATOM 173 CB ILE A 14 16.851 -3.776 -6.987 1.00 0.00 C ATOM 174 CG1 ILE A 14 15.710 -2.743 -6.830 1.00 0.00 C ATOM 175 CG2 ILE A 14 17.828 -3.373 -8.105 1.00 0.00 C ATOM 176 CD1 ILE A 14 16.166 -1.410 -6.235 1.00 0.00 C ATOM 0 H ILE A 14 14.585 -4.883 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 14 17.123 -5.873 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 14 17.415 -3.793 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.260 -2.560 -7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.932 -3.167 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.214 -2.373 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.655 -4.082 -8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.307 -3.378 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.313 -0.736 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.589 -1.579 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.922 -0.963 -6.881 1.00 0.00 H new ATOM 188 N THR A 15 14.404 -6.430 -6.314 1.00 0.00 N ATOM 189 CA THR A 15 13.551 -7.003 -5.300 1.00 0.00 C ATOM 190 C THR A 15 14.298 -8.095 -4.522 1.00 0.00 C ATOM 191 O THR A 15 15.361 -8.561 -4.942 1.00 0.00 O ATOM 192 CB THR A 15 12.304 -7.543 -6.016 1.00 0.00 C ATOM 193 OG1 THR A 15 11.298 -7.903 -5.093 1.00 0.00 O ATOM 194 CG2 THR A 15 12.651 -8.698 -6.958 1.00 0.00 C ATOM 0 H THR A 15 14.099 -6.631 -7.266 1.00 0.00 H new ATOM 0 HA THR A 15 13.254 -6.259 -4.561 1.00 0.00 H new ATOM 0 HB THR A 15 11.905 -6.738 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.516 -8.242 -5.577 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.744 -9.054 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.358 -8.352 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.099 -9.511 -6.387 1.00 0.00 H new ATOM 202 N SER A 16 13.743 -8.482 -3.382 1.00 0.00 N ATOM 203 CA SER A 16 14.238 -9.516 -2.496 1.00 0.00 C ATOM 204 C SER A 16 13.091 -9.843 -1.533 1.00 0.00 C ATOM 205 O SER A 16 12.150 -9.046 -1.389 1.00 0.00 O ATOM 206 CB SER A 16 15.551 -9.088 -1.824 1.00 0.00 C ATOM 207 OG SER A 16 15.448 -7.858 -1.127 1.00 0.00 O ATOM 0 H SER A 16 12.885 -8.055 -3.034 1.00 0.00 H new ATOM 0 HA SER A 16 14.513 -10.427 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.866 -9.866 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.329 -9.004 -2.583 1.00 0.00 H new ATOM 0 HG SER A 16 16.312 -7.639 -0.720 1.00 0.00 H new ATOM 213 N ASP A 17 13.167 -10.984 -0.853 1.00 0.00 N ATOM 214 CA ASP A 17 12.155 -11.470 0.083 1.00 0.00 C ATOM 215 C ASP A 17 12.805 -11.613 1.450 1.00 0.00 C ATOM 216 O ASP A 17 13.960 -12.034 1.532 1.00 0.00 O ATOM 217 CB ASP A 17 11.618 -12.829 -0.392 1.00 0.00 C ATOM 218 CG ASP A 17 10.724 -12.717 -1.625 1.00 0.00 C ATOM 219 OD1 ASP A 17 11.198 -12.238 -2.680 1.00 0.00 O ATOM 220 OD2 ASP A 17 9.541 -13.113 -1.538 1.00 0.00 O ATOM 0 H ASP A 17 13.961 -11.618 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 17 11.321 -10.771 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.457 -13.487 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.056 -13.295 0.417 1.00 0.00 H new ATOM 225 N LYS A 18 12.075 -11.317 2.531 1.00 0.00 N ATOM 226 CA LYS A 18 12.607 -11.399 3.898 1.00 0.00 C ATOM 227 C LYS A 18 11.592 -11.755 4.993 1.00 0.00 C ATOM 228 O LYS A 18 11.980 -11.806 6.164 1.00 0.00 O ATOM 229 CB LYS A 18 13.365 -10.096 4.205 1.00 0.00 C ATOM 230 CG LYS A 18 12.578 -8.801 3.932 1.00 0.00 C ATOM 231 CD LYS A 18 13.380 -7.611 4.465 1.00 0.00 C ATOM 232 CE LYS A 18 12.887 -6.263 3.930 1.00 0.00 C ATOM 233 NZ LYS A 18 13.426 -5.929 2.594 1.00 0.00 N ATOM 0 H LYS A 18 11.102 -11.015 2.485 1.00 0.00 H new ATOM 0 HA LYS A 18 13.283 -12.254 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.664 -10.107 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.280 -10.078 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.400 -8.687 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.602 -8.844 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.327 -7.604 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.429 -7.739 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.798 -6.276 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.165 -5.478 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.054 -5.006 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.464 -5.886 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.139 -6.659 1.911 1.00 0.00 H new ATOM 247 N GLY A 19 10.328 -12.014 4.657 1.00 0.00 N ATOM 248 CA GLY A 19 9.253 -12.361 5.582 1.00 0.00 C ATOM 249 C GLY A 19 8.032 -11.561 5.159 1.00 0.00 C ATOM 250 O GLY A 19 7.160 -12.078 4.450 1.00 0.00 O ATOM 0 H GLY A 19 10.013 -11.986 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.045 -13.430 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.534 -12.123 6.608 1.00 0.00 H new ATOM 254 N PHE A 20 7.988 -10.299 5.568 1.00 0.00 N ATOM 255 CA PHE A 20 6.943 -9.331 5.259 1.00 0.00 C ATOM 256 C PHE A 20 7.572 -8.237 4.396 1.00 0.00 C ATOM 257 O PHE A 20 8.800 -8.132 4.312 1.00 0.00 O ATOM 258 CB PHE A 20 6.341 -8.752 6.549 1.00 0.00 C ATOM 259 CG PHE A 20 5.360 -9.681 7.235 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.820 -10.714 8.074 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.978 -9.536 6.998 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.901 -11.607 8.654 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.065 -10.435 7.573 1.00 0.00 C ATOM 264 CZ PHE A 20 3.525 -11.473 8.402 1.00 0.00 C ATOM 0 H PHE A 20 8.721 -9.902 6.156 1.00 0.00 H new ATOM 0 HA PHE A 20 6.125 -9.807 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.149 -8.515 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.837 -7.814 6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.876 -10.820 8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.620 -8.731 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.255 -12.400 9.296 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.008 -10.329 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.823 -12.165 8.844 1.00 0.00 H new ATOM 274 N VAL A 21 6.733 -7.428 3.759 1.00 0.00 N ATOM 275 CA VAL A 21 7.141 -6.331 2.903 1.00 0.00 C ATOM 276 C VAL A 21 6.104 -5.219 3.062 1.00 0.00 C ATOM 277 O VAL A 21 4.931 -5.473 3.365 1.00 0.00 O ATOM 278 CB VAL A 21 7.340 -6.880 1.470 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.046 -7.367 0.806 1.00 0.00 C ATOM 280 CG2 VAL A 21 8.034 -5.867 0.563 1.00 0.00 C ATOM 0 H VAL A 21 5.720 -7.524 3.829 1.00 0.00 H new ATOM 0 HA VAL A 21 8.100 -5.888 3.170 1.00 0.00 H new ATOM 0 HB VAL A 21 7.983 -7.751 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.268 -7.737 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.611 -8.170 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.338 -6.541 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.154 -6.293 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.431 -4.961 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.014 -5.622 0.973 1.00 0.00 H new ATOM 290 N THR A 22 6.553 -3.979 2.919 1.00 0.00 N ATOM 291 CA THR A 22 5.715 -2.802 3.046 1.00 0.00 C ATOM 292 C THR A 22 4.906 -2.579 1.763 1.00 0.00 C ATOM 293 O THR A 22 5.336 -2.952 0.675 1.00 0.00 O ATOM 294 CB THR A 22 6.640 -1.592 3.263 1.00 0.00 C ATOM 295 OG1 THR A 22 7.744 -1.873 4.102 1.00 0.00 O ATOM 296 CG2 THR A 22 5.886 -0.428 3.910 1.00 0.00 C ATOM 0 H THR A 22 7.527 -3.763 2.708 1.00 0.00 H new ATOM 0 HA THR A 22 5.023 -2.930 3.878 1.00 0.00 H new ATOM 0 HB THR A 22 6.998 -1.336 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.294 -1.068 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.566 0.412 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.062 -0.124 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.492 -0.742 4.877 1.00 0.00 H new ATOM 304 N MET A 23 3.766 -1.903 1.882 1.00 0.00 N ATOM 305 CA MET A 23 2.863 -1.541 0.805 1.00 0.00 C ATOM 306 C MET A 23 2.370 -0.123 1.089 1.00 0.00 C ATOM 307 O MET A 23 2.226 0.283 2.249 1.00 0.00 O ATOM 308 CB MET A 23 1.707 -2.542 0.726 1.00 0.00 C ATOM 309 CG MET A 23 2.065 -3.715 -0.185 1.00 0.00 C ATOM 310 SD MET A 23 2.075 -3.272 -1.942 1.00 0.00 S ATOM 311 CE MET A 23 2.425 -4.862 -2.724 1.00 0.00 C ATOM 0 H MET A 23 3.433 -1.576 2.789 1.00 0.00 H new ATOM 0 HA MET A 23 3.365 -1.568 -0.162 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.470 -2.910 1.724 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.814 -2.043 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.047 -4.097 0.093 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.352 -4.523 -0.024 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.436 -4.853 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.339 -5.658 -1.984 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.712 -5.036 -3.530 1.00 0.00 H new ATOM 321 N THR A 24 2.112 0.648 0.039 1.00 0.00 N ATOM 322 CA THR A 24 1.648 2.025 0.129 1.00 0.00 C ATOM 323 C THR A 24 0.535 2.220 -0.897 1.00 0.00 C ATOM 324 O THR A 24 0.574 1.626 -1.976 1.00 0.00 O ATOM 325 CB THR A 24 2.843 2.977 -0.075 1.00 0.00 C ATOM 326 OG1 THR A 24 4.010 2.446 0.515 1.00 0.00 O ATOM 327 CG2 THR A 24 2.650 4.324 0.601 1.00 0.00 C ATOM 0 H THR A 24 2.223 0.324 -0.922 1.00 0.00 H new ATOM 0 HA THR A 24 1.234 2.252 1.112 1.00 0.00 H new ATOM 0 HB THR A 24 2.925 3.094 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.342 3.065 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.524 4.950 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.765 4.812 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.523 4.178 1.674 1.00 0.00 H new ATOM 335 N LEU A 25 -0.466 3.033 -0.556 1.00 0.00 N ATOM 336 CA LEU A 25 -1.620 3.334 -1.390 1.00 0.00 C ATOM 337 C LEU A 25 -1.729 4.856 -1.404 1.00 0.00 C ATOM 338 O LEU A 25 -2.009 5.463 -0.368 1.00 0.00 O ATOM 339 CB LEU A 25 -2.863 2.631 -0.801 1.00 0.00 C ATOM 340 CG LEU A 25 -3.833 2.055 -1.844 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.243 0.804 -2.520 1.00 0.00 C ATOM 342 CD2 LEU A 25 -5.149 1.671 -1.162 1.00 0.00 C ATOM 0 H LEU A 25 -0.492 3.515 0.342 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.530 2.971 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.531 1.823 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.404 3.342 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.005 2.818 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.951 0.418 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.310 1.066 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.049 0.041 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.837 1.262 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.956 0.922 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.593 2.555 -0.703 1.00 0.00 H new ATOM 354 N GLU A 26 -1.395 5.471 -2.534 1.00 0.00 N ATOM 355 CA GLU A 26 -1.422 6.914 -2.742 1.00 0.00 C ATOM 356 C GLU A 26 -2.781 7.324 -3.291 1.00 0.00 C ATOM 357 O GLU A 26 -3.197 6.795 -4.326 1.00 0.00 O ATOM 358 CB GLU A 26 -0.342 7.301 -3.767 1.00 0.00 C ATOM 359 CG GLU A 26 1.070 7.266 -3.177 1.00 0.00 C ATOM 360 CD GLU A 26 2.150 7.308 -4.265 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.581 8.409 -4.671 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.640 6.231 -4.677 1.00 0.00 O ATOM 0 H GLU A 26 -1.087 4.959 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.237 7.417 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.393 6.621 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.548 8.302 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.202 8.112 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.191 6.362 -2.581 1.00 0.00 H new ATOM 369 N SER A 27 -3.480 8.198 -2.566 1.00 0.00 N ATOM 370 CA SER A 27 -4.776 8.716 -2.971 1.00 0.00 C ATOM 371 C SER A 27 -4.540 9.862 -3.969 1.00 0.00 C ATOM 372 O SER A 27 -3.394 10.209 -4.282 1.00 0.00 O ATOM 373 CB SER A 27 -5.558 9.157 -1.723 1.00 0.00 C ATOM 374 OG SER A 27 -4.795 9.988 -0.867 1.00 0.00 O ATOM 0 H SER A 27 -3.154 8.567 -1.673 1.00 0.00 H new ATOM 0 HA SER A 27 -5.379 7.956 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.458 9.689 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.883 8.275 -1.172 1.00 0.00 H new ATOM 0 HG SER A 27 -5.118 10.911 -0.933 1.00 0.00 H new ATOM 380 N LEU A 28 -5.613 10.433 -4.518 1.00 0.00 N ATOM 381 CA LEU A 28 -5.515 11.539 -5.466 1.00 0.00 C ATOM 382 C LEU A 28 -5.516 12.853 -4.685 1.00 0.00 C ATOM 383 O LEU A 28 -4.891 13.825 -5.105 1.00 0.00 O ATOM 384 CB LEU A 28 -6.686 11.512 -6.465 1.00 0.00 C ATOM 385 CG LEU A 28 -6.613 10.386 -7.519 1.00 0.00 C ATOM 386 CD1 LEU A 28 -6.843 8.978 -6.942 1.00 0.00 C ATOM 387 CD2 LEU A 28 -7.671 10.636 -8.600 1.00 0.00 C ATOM 0 H LEU A 28 -6.570 10.142 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.591 11.445 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.618 11.409 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.727 12.471 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.600 10.412 -7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.776 8.241 -7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.084 8.765 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.831 8.929 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.623 9.843 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.661 10.646 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.482 11.597 -9.079 1.00 0.00 H new ATOM 399 N GLU A 29 -6.215 12.883 -3.554 1.00 0.00 N ATOM 400 CA GLU A 29 -6.340 14.017 -2.658 1.00 0.00 C ATOM 401 C GLU A 29 -6.491 13.463 -1.236 1.00 0.00 C ATOM 402 O GLU A 29 -6.187 12.292 -0.979 1.00 0.00 O ATOM 403 CB GLU A 29 -7.508 14.916 -3.111 1.00 0.00 C ATOM 404 CG GLU A 29 -6.989 16.263 -3.620 1.00 0.00 C ATOM 405 CD GLU A 29 -8.115 17.251 -3.942 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.126 16.850 -4.564 1.00 0.00 O ATOM 407 OE2 GLU A 29 -7.937 18.470 -3.706 1.00 0.00 O ATOM 0 H GLU A 29 -6.736 12.070 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.459 14.658 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.073 14.417 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.194 15.076 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.332 16.701 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.388 16.101 -4.514 1.00 0.00 H new ATOM 414 N GLU A 30 -6.876 14.311 -0.286 1.00 0.00 N ATOM 415 CA GLU A 30 -7.068 13.917 1.097 1.00 0.00 C ATOM 416 C GLU A 30 -8.256 12.944 1.201 1.00 0.00 C ATOM 417 O GLU A 30 -9.102 12.856 0.302 1.00 0.00 O ATOM 418 CB GLU A 30 -7.236 15.197 1.924 1.00 0.00 C ATOM 419 CG GLU A 30 -7.090 14.976 3.427 1.00 0.00 C ATOM 420 CD GLU A 30 -6.875 16.305 4.152 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.868 17.035 4.383 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.730 16.615 4.557 1.00 0.00 O ATOM 0 H GLU A 30 -7.064 15.298 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.210 13.374 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.497 15.929 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.218 15.624 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.982 14.485 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.249 14.310 3.621 1.00 0.00 H new ATOM 429 N ILE A 31 -8.317 12.208 2.309 1.00 0.00 N ATOM 430 CA ILE A 31 -9.330 11.209 2.633 1.00 0.00 C ATOM 431 C ILE A 31 -9.882 11.489 4.031 1.00 0.00 C ATOM 432 O ILE A 31 -9.273 12.222 4.813 1.00 0.00 O ATOM 433 CB ILE A 31 -8.727 9.786 2.506 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.425 9.665 3.332 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.483 9.471 1.016 1.00 0.00 C ATOM 436 CD1 ILE A 31 -6.759 8.292 3.408 1.00 0.00 C ATOM 0 H ILE A 31 -7.619 12.299 3.047 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.161 11.266 1.930 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.429 9.056 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.700 10.367 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.642 9.990 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.059 8.471 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.428 9.518 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.789 10.201 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.859 8.358 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.449 7.577 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.493 7.960 2.404 1.00 0.00 H new ATOM 448 N GLN A 32 -11.027 10.894 4.360 1.00 0.00 N ATOM 449 CA GLN A 32 -11.663 11.091 5.657 1.00 0.00 C ATOM 450 C GLN A 32 -10.922 10.384 6.795 1.00 0.00 C ATOM 451 O GLN A 32 -10.752 10.966 7.866 1.00 0.00 O ATOM 452 CB GLN A 32 -13.142 10.665 5.589 1.00 0.00 C ATOM 453 CG GLN A 32 -13.385 9.155 5.401 1.00 0.00 C ATOM 454 CD GLN A 32 -14.850 8.782 5.209 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.715 9.599 4.886 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.185 7.513 5.392 1.00 0.00 N ATOM 0 H GLN A 32 -11.536 10.266 3.738 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.615 12.155 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.637 10.984 6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.619 11.198 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.817 8.811 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.996 8.624 6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.475 6.831 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.153 7.218 5.266 1.00 0.00 H new ATOM 465 N ASP A 33 -10.532 9.124 6.578 1.00 0.00 N ATOM 466 CA ASP A 33 -9.846 8.224 7.504 1.00 0.00 C ATOM 467 C ASP A 33 -9.472 6.951 6.718 1.00 0.00 C ATOM 468 O ASP A 33 -9.902 6.816 5.567 1.00 0.00 O ATOM 469 CB ASP A 33 -10.845 7.849 8.617 1.00 0.00 C ATOM 470 CG ASP A 33 -10.217 6.976 9.691 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.555 7.508 10.612 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.382 5.741 9.608 1.00 0.00 O ATOM 0 H ASP A 33 -10.702 8.674 5.679 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.956 8.685 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.234 8.759 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.694 7.325 8.178 1.00 0.00 H new ATOM 477 N VAL A 34 -8.700 6.010 7.282 1.00 0.00 N ATOM 478 CA VAL A 34 -8.305 4.746 6.634 1.00 0.00 C ATOM 479 C VAL A 34 -9.539 3.936 6.205 1.00 0.00 C ATOM 480 O VAL A 34 -9.447 3.125 5.283 1.00 0.00 O ATOM 481 CB VAL A 34 -7.388 3.873 7.537 1.00 0.00 C ATOM 482 CG1 VAL A 34 -5.908 4.050 7.187 1.00 0.00 C ATOM 483 CG2 VAL A 34 -7.576 4.083 9.049 1.00 0.00 C ATOM 0 H VAL A 34 -8.323 6.107 8.225 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.731 5.022 5.749 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.707 2.854 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.302 3.423 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.742 3.759 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.625 5.094 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.894 3.431 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.364 5.122 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.603 3.845 9.324 1.00 0.00 H new ATOM 493 N SER A 35 -10.705 4.179 6.814 1.00 0.00 N ATOM 494 CA SER A 35 -11.945 3.496 6.487 1.00 0.00 C ATOM 495 C SER A 35 -12.252 3.549 4.975 1.00 0.00 C ATOM 496 O SER A 35 -12.740 2.564 4.417 1.00 0.00 O ATOM 497 CB SER A 35 -13.068 4.095 7.347 1.00 0.00 C ATOM 498 OG SER A 35 -14.292 3.440 7.089 1.00 0.00 O ATOM 0 H SER A 35 -10.807 4.868 7.559 1.00 0.00 H new ATOM 0 HA SER A 35 -11.854 2.435 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.814 4.002 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.167 5.160 7.136 1.00 0.00 H new ATOM 0 HG SER A 35 -14.997 3.832 7.646 1.00 0.00 H new ATOM 504 N CYS A 36 -11.984 4.665 4.287 1.00 0.00 N ATOM 505 CA CYS A 36 -12.261 4.750 2.852 1.00 0.00 C ATOM 506 C CYS A 36 -11.366 3.803 2.039 1.00 0.00 C ATOM 507 O CYS A 36 -11.860 3.144 1.118 1.00 0.00 O ATOM 508 CB CYS A 36 -12.180 6.205 2.385 1.00 0.00 C ATOM 509 SG CYS A 36 -13.859 6.883 2.445 1.00 0.00 S ATOM 0 H CYS A 36 -11.582 5.509 4.695 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.280 4.409 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.511 6.778 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.778 6.262 1.373 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.840 8.124 2.057 1.00 0.00 H new ATOM 515 N ALA A 37 -10.080 3.697 2.382 1.00 0.00 N ATOM 516 CA ALA A 37 -9.139 2.816 1.710 1.00 0.00 C ATOM 517 C ALA A 37 -9.593 1.380 1.955 1.00 0.00 C ATOM 518 O ALA A 37 -9.617 0.584 1.020 1.00 0.00 O ATOM 519 CB ALA A 37 -7.716 3.043 2.231 1.00 0.00 C ATOM 0 H ALA A 37 -9.664 4.230 3.145 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.121 3.024 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.028 2.373 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.422 4.077 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.684 2.841 3.302 1.00 0.00 H new ATOM 525 N TRP A 38 -10.006 1.057 3.190 1.00 0.00 N ATOM 526 CA TRP A 38 -10.495 -0.268 3.563 1.00 0.00 C ATOM 527 C TRP A 38 -11.614 -0.694 2.611 1.00 0.00 C ATOM 528 O TRP A 38 -11.578 -1.813 2.095 1.00 0.00 O ATOM 529 CB TRP A 38 -11.004 -0.277 5.015 1.00 0.00 C ATOM 530 CG TRP A 38 -10.003 -0.661 6.051 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.503 0.123 7.034 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.391 -1.967 6.233 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.622 -0.616 7.800 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.491 -1.902 7.330 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.506 -3.198 5.560 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.715 -3.002 7.719 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.734 -4.311 5.938 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.828 -4.207 7.007 1.00 0.00 C ATOM 0 H TRP A 38 -10.008 1.721 3.964 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.669 -0.975 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.383 0.717 5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.848 -0.964 5.080 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.753 1.161 7.194 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.129 -0.252 8.615 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.200 -3.289 4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.038 -2.924 8.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.837 -5.246 5.407 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.218 -5.055 7.281 1.00 0.00 H new ATOM 549 N LYS A 39 -12.605 0.175 2.361 1.00 0.00 N ATOM 550 CA LYS A 39 -13.702 -0.170 1.457 1.00 0.00 C ATOM 551 C LYS A 39 -13.184 -0.403 0.044 1.00 0.00 C ATOM 552 O LYS A 39 -13.572 -1.391 -0.567 1.00 0.00 O ATOM 553 CB LYS A 39 -14.832 0.871 1.456 1.00 0.00 C ATOM 554 CG LYS A 39 -15.453 1.069 2.850 1.00 0.00 C ATOM 555 CD LYS A 39 -16.926 1.497 2.803 1.00 0.00 C ATOM 556 CE LYS A 39 -17.891 0.345 2.473 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.920 -0.690 3.529 1.00 0.00 N ATOM 0 H LYS A 39 -12.666 1.108 2.768 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.134 -1.096 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.443 1.824 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.608 0.559 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.370 0.139 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.880 1.822 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.202 1.927 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.044 2.284 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.895 0.745 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.596 -0.112 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.731 -1.322 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.040 -1.243 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.010 -0.234 4.459 1.00 0.00 H new ATOM 571 N GLU A 40 -12.314 0.468 -0.472 1.00 0.00 N ATOM 572 CA GLU A 40 -11.763 0.326 -1.820 1.00 0.00 C ATOM 573 C GLU A 40 -11.044 -1.015 -1.966 1.00 0.00 C ATOM 574 O GLU A 40 -11.293 -1.774 -2.902 1.00 0.00 O ATOM 575 CB GLU A 40 -10.810 1.502 -2.130 1.00 0.00 C ATOM 576 CG GLU A 40 -11.037 2.014 -3.553 1.00 0.00 C ATOM 577 CD GLU A 40 -12.373 2.775 -3.613 1.00 0.00 C ATOM 578 OE1 GLU A 40 -12.443 3.928 -3.127 1.00 0.00 O ATOM 579 OE2 GLU A 40 -13.402 2.186 -4.021 1.00 0.00 O ATOM 0 H GLU A 40 -11.973 1.288 0.031 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.581 0.348 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.975 2.309 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.775 1.180 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.218 2.669 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.049 1.180 -4.254 1.00 0.00 H new ATOM 586 N LEU A 41 -10.179 -1.338 -1.006 1.00 0.00 N ATOM 587 CA LEU A 41 -9.426 -2.581 -0.989 1.00 0.00 C ATOM 588 C LEU A 41 -10.406 -3.749 -0.917 1.00 0.00 C ATOM 589 O LEU A 41 -10.190 -4.758 -1.570 1.00 0.00 O ATOM 590 CB LEU A 41 -8.452 -2.575 0.197 1.00 0.00 C ATOM 591 CG LEU A 41 -7.292 -1.579 -0.017 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.716 -1.125 1.322 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.166 -2.183 -0.862 1.00 0.00 C ATOM 0 H LEU A 41 -9.982 -0.732 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.835 -2.687 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.991 -2.315 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.048 -3.577 0.341 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.708 -0.725 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.900 -0.424 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.496 -0.637 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.341 -1.990 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.371 -1.448 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.768 -3.066 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.556 -2.466 -1.840 1.00 0.00 H new ATOM 605 N ASN A 42 -11.506 -3.631 -0.168 1.00 0.00 N ATOM 606 CA ASN A 42 -12.510 -4.694 -0.055 1.00 0.00 C ATOM 607 C ASN A 42 -13.321 -4.859 -1.353 1.00 0.00 C ATOM 608 O ASN A 42 -14.138 -5.778 -1.425 1.00 0.00 O ATOM 609 CB ASN A 42 -13.416 -4.510 1.177 1.00 0.00 C ATOM 610 CG ASN A 42 -12.786 -5.093 2.437 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.269 -6.074 3.000 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.703 -4.517 2.923 1.00 0.00 N ATOM 0 H ASN A 42 -11.726 -2.797 0.377 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.966 -5.626 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.613 -3.449 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.377 -4.991 0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.265 -4.885 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.304 -3.704 2.454 1.00 0.00 H new ATOM 619 N ARG A 43 -13.189 -3.965 -2.341 1.00 0.00 N ATOM 620 CA ARG A 43 -13.872 -4.047 -3.628 1.00 0.00 C ATOM 621 C ARG A 43 -12.923 -4.710 -4.622 1.00 0.00 C ATOM 622 O ARG A 43 -13.269 -5.709 -5.248 1.00 0.00 O ATOM 623 CB ARG A 43 -14.226 -2.649 -4.167 1.00 0.00 C ATOM 624 CG ARG A 43 -15.385 -1.948 -3.462 1.00 0.00 C ATOM 625 CD ARG A 43 -15.626 -0.613 -4.180 1.00 0.00 C ATOM 626 NE ARG A 43 -16.727 0.144 -3.570 1.00 0.00 N ATOM 627 CZ ARG A 43 -17.974 0.253 -4.039 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.315 -0.180 -5.249 1.00 0.00 N ATOM 629 NH2 ARG A 43 -18.900 0.829 -3.291 1.00 0.00 N ATOM 0 H ARG A 43 -12.587 -3.145 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.794 -4.615 -3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.342 -2.016 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.468 -2.737 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.282 -2.566 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.149 -1.780 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.715 -0.016 -4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.852 -0.801 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.519 0.636 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.615 -0.612 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.277 -0.080 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.660 1.185 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.855 0.917 -3.639 1.00 0.00 H new ATOM 643 N LYS A 44 -11.721 -4.139 -4.764 1.00 0.00 N ATOM 644 CA LYS A 44 -10.699 -4.610 -5.695 1.00 0.00 C ATOM 645 C LYS A 44 -10.020 -5.903 -5.260 1.00 0.00 C ATOM 646 O LYS A 44 -9.449 -6.574 -6.117 1.00 0.00 O ATOM 647 CB LYS A 44 -9.585 -3.556 -5.823 1.00 0.00 C ATOM 648 CG LYS A 44 -10.002 -2.122 -6.179 1.00 0.00 C ATOM 649 CD LYS A 44 -10.713 -2.000 -7.531 1.00 0.00 C ATOM 650 CE LYS A 44 -12.216 -1.810 -7.335 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.907 -1.591 -8.620 1.00 0.00 N ATOM 0 H LYS A 44 -11.430 -3.324 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.224 -4.788 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.043 -3.524 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.882 -3.900 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.660 -1.741 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.116 -1.488 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.304 -1.157 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.529 -2.894 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.633 -2.688 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.393 -0.960 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.914 -1.399 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.480 -0.779 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.815 -2.441 -9.213 1.00 0.00 H new ATOM 665 N LEU A 45 -10.021 -6.233 -3.968 1.00 0.00 N ATOM 666 CA LEU A 45 -9.393 -7.430 -3.430 1.00 0.00 C ATOM 667 C LEU A 45 -10.471 -8.293 -2.786 1.00 0.00 C ATOM 668 O LEU A 45 -11.529 -7.806 -2.379 1.00 0.00 O ATOM 669 CB LEU A 45 -8.268 -7.074 -2.441 1.00 0.00 C ATOM 670 CG LEU A 45 -7.232 -6.048 -2.960 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.325 -5.650 -1.794 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.407 -6.638 -4.107 1.00 0.00 C ATOM 0 H LEU A 45 -10.470 -5.659 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.921 -7.994 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.719 -6.681 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.743 -7.990 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.747 -5.169 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.586 -4.926 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.926 -5.206 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.816 -6.534 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.686 -5.898 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.877 -7.524 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.069 -6.913 -4.928 1.00 0.00 H new ATOM 684 N SER A 46 -10.185 -9.589 -2.694 1.00 0.00 N ATOM 685 CA SER A 46 -11.101 -10.577 -2.149 1.00 0.00 C ATOM 686 C SER A 46 -11.033 -10.552 -0.626 1.00 0.00 C ATOM 687 O SER A 46 -9.979 -10.232 -0.074 1.00 0.00 O ATOM 688 CB SER A 46 -10.707 -11.948 -2.721 1.00 0.00 C ATOM 689 OG SER A 46 -11.772 -12.874 -2.637 1.00 0.00 O ATOM 0 H SER A 46 -9.296 -9.984 -3.001 1.00 0.00 H new ATOM 0 HA SER A 46 -12.132 -10.360 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.404 -11.835 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.844 -12.335 -2.178 1.00 0.00 H new ATOM 0 HG SER A 46 -11.595 -13.512 -1.915 1.00 0.00 H new ATOM 695 N SER A 47 -12.103 -10.966 0.063 1.00 0.00 N ATOM 696 CA SER A 47 -12.153 -10.995 1.525 1.00 0.00 C ATOM 697 C SER A 47 -11.007 -11.814 2.131 1.00 0.00 C ATOM 698 O SER A 47 -10.575 -11.546 3.249 1.00 0.00 O ATOM 699 CB SER A 47 -13.489 -11.579 1.994 1.00 0.00 C ATOM 700 OG SER A 47 -14.593 -10.893 1.427 1.00 0.00 O ATOM 0 H SER A 47 -12.961 -11.291 -0.382 1.00 0.00 H new ATOM 0 HA SER A 47 -12.049 -9.965 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.539 -12.634 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.547 -11.525 3.081 1.00 0.00 H new ATOM 0 HG SER A 47 -15.427 -11.295 1.748 1.00 0.00 H new ATOM 706 N ASN A 48 -10.512 -12.814 1.393 1.00 0.00 N ATOM 707 CA ASN A 48 -9.427 -13.681 1.833 1.00 0.00 C ATOM 708 C ASN A 48 -8.117 -12.904 1.777 1.00 0.00 C ATOM 709 O ASN A 48 -7.500 -12.621 2.798 1.00 0.00 O ATOM 710 CB ASN A 48 -9.346 -14.950 0.962 1.00 0.00 C ATOM 711 CG ASN A 48 -10.713 -15.534 0.677 1.00 0.00 C ATOM 712 OD1 ASN A 48 -11.309 -15.226 -0.351 1.00 0.00 O ATOM 713 ND2 ASN A 48 -11.260 -16.324 1.569 1.00 0.00 N ATOM 0 H ASN A 48 -10.862 -13.042 0.462 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.617 -14.000 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.851 -14.712 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.731 -15.696 1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.198 -16.695 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.748 -16.568 2.417 1.00 0.00 H new ATOM 720 N ALA A 49 -7.715 -12.503 0.568 1.00 0.00 N ATOM 721 CA ALA A 49 -6.490 -11.765 0.324 1.00 0.00 C ATOM 722 C ALA A 49 -6.422 -10.464 1.111 1.00 0.00 C ATOM 723 O ALA A 49 -5.356 -10.126 1.622 1.00 0.00 O ATOM 724 CB ALA A 49 -6.377 -11.469 -1.165 1.00 0.00 C ATOM 0 H ALA A 49 -8.249 -12.690 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.658 -12.385 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.459 -10.914 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.358 -12.406 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.233 -10.875 -1.484 1.00 0.00 H new ATOM 730 N VAL A 50 -7.532 -9.731 1.236 1.00 0.00 N ATOM 731 CA VAL A 50 -7.539 -8.472 1.966 1.00 0.00 C ATOM 732 C VAL A 50 -7.220 -8.723 3.461 1.00 0.00 C ATOM 733 O VAL A 50 -6.741 -7.831 4.168 1.00 0.00 O ATOM 734 CB VAL A 50 -8.835 -7.690 1.667 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.015 -8.104 2.541 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.628 -6.180 1.790 1.00 0.00 C ATOM 0 H VAL A 50 -8.434 -9.993 0.839 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.741 -7.812 1.624 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.081 -7.945 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.891 -7.512 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.230 -9.161 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.768 -7.935 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.564 -5.665 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.309 -5.938 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.864 -5.859 1.082 1.00 0.00 H new ATOM 746 N SER A 51 -7.448 -9.947 3.964 1.00 0.00 N ATOM 747 CA SER A 51 -7.164 -10.324 5.344 1.00 0.00 C ATOM 748 C SER A 51 -5.648 -10.373 5.583 1.00 0.00 C ATOM 749 O SER A 51 -5.225 -10.357 6.738 1.00 0.00 O ATOM 750 CB SER A 51 -7.779 -11.695 5.678 1.00 0.00 C ATOM 751 OG SER A 51 -7.890 -11.881 7.086 1.00 0.00 O ATOM 0 H SER A 51 -7.840 -10.708 3.410 1.00 0.00 H new ATOM 0 HA SER A 51 -7.610 -9.571 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.764 -11.776 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.163 -12.486 5.251 1.00 0.00 H new ATOM 0 HG SER A 51 -7.163 -11.404 7.537 1.00 0.00 H new ATOM 757 N GLN A 52 -4.821 -10.445 4.534 1.00 0.00 N ATOM 758 CA GLN A 52 -3.373 -10.499 4.679 1.00 0.00 C ATOM 759 C GLN A 52 -2.792 -9.148 5.126 1.00 0.00 C ATOM 760 O GLN A 52 -1.700 -9.123 5.696 1.00 0.00 O ATOM 761 CB GLN A 52 -2.738 -10.981 3.364 1.00 0.00 C ATOM 762 CG GLN A 52 -3.239 -12.358 2.880 1.00 0.00 C ATOM 763 CD GLN A 52 -2.934 -13.503 3.845 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.989 -13.438 4.631 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.726 -14.560 3.850 1.00 0.00 N ATOM 0 H GLN A 52 -5.141 -10.467 3.566 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.132 -11.213 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.936 -10.243 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.657 -11.026 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.316 -12.307 2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.785 -12.580 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.509 -14.614 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.555 -15.323 4.505 1.00 0.00 H new ATOM 774 N ILE A 53 -3.509 -8.044 4.885 1.00 0.00 N ATOM 775 CA ILE A 53 -3.112 -6.682 5.236 1.00 0.00 C ATOM 776 C ILE A 53 -3.104 -6.530 6.756 1.00 0.00 C ATOM 777 O ILE A 53 -4.047 -6.971 7.421 1.00 0.00 O ATOM 778 CB ILE A 53 -4.103 -5.680 4.583 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.949 -5.761 3.049 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.924 -4.236 5.093 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.947 -4.920 2.250 1.00 0.00 C ATOM 0 H ILE A 53 -4.417 -8.080 4.422 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.108 -6.474 4.865 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.116 -5.963 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.939 -5.447 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.050 -6.803 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.645 -3.584 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.087 -4.208 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.913 -3.894 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.757 -5.045 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.962 -5.246 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.834 -3.870 2.518 1.00 0.00 H new ATOM 793 N THR A 54 -2.082 -5.861 7.290 1.00 0.00 N ATOM 794 CA THR A 54 -1.935 -5.597 8.710 1.00 0.00 C ATOM 795 C THR A 54 -1.351 -4.192 8.896 1.00 0.00 C ATOM 796 O THR A 54 -0.778 -3.615 7.965 1.00 0.00 O ATOM 797 CB THR A 54 -1.110 -6.722 9.361 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.148 -6.657 10.771 1.00 0.00 O ATOM 799 CG2 THR A 54 0.359 -6.783 8.941 1.00 0.00 C ATOM 0 H THR A 54 -1.319 -5.482 6.729 1.00 0.00 H new ATOM 0 HA THR A 54 -2.897 -5.602 9.222 1.00 0.00 H new ATOM 0 HB THR A 54 -1.597 -7.625 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.614 -7.388 11.147 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.850 -7.609 9.455 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.423 -6.937 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.852 -5.847 9.204 1.00 0.00 H new ATOM 807 N ARG A 55 -1.497 -3.661 10.113 1.00 0.00 N ATOM 808 CA ARG A 55 -1.020 -2.352 10.560 1.00 0.00 C ATOM 809 C ARG A 55 -1.355 -1.185 9.613 1.00 0.00 C ATOM 810 O ARG A 55 -0.540 -0.274 9.467 1.00 0.00 O ATOM 811 CB ARG A 55 0.486 -2.471 10.868 1.00 0.00 C ATOM 812 CG ARG A 55 0.822 -3.448 12.008 1.00 0.00 C ATOM 813 CD ARG A 55 2.320 -3.371 12.333 1.00 0.00 C ATOM 814 NE ARG A 55 2.702 -4.288 13.419 1.00 0.00 N ATOM 815 CZ ARG A 55 3.832 -5.001 13.490 1.00 0.00 C ATOM 816 NH1 ARG A 55 4.811 -4.844 12.598 1.00 0.00 N ATOM 817 NH2 ARG A 55 3.970 -5.911 14.444 1.00 0.00 N ATOM 0 H ARG A 55 -1.981 -4.165 10.856 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.564 -2.083 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.006 -2.792 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.872 -1.484 11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.235 -3.204 12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.555 -4.464 11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.896 -3.609 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.577 -2.350 12.615 1.00 0.00 H new ATOM 0 HE ARG A 55 2.043 -4.390 14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.707 -4.169 11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.663 -5.399 12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.218 -6.063 15.116 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.828 -6.459 14.506 1.00 0.00 H new ATOM 831 N MET A 56 -2.519 -1.178 8.948 1.00 0.00 N ATOM 832 CA MET A 56 -2.879 -0.081 8.049 1.00 0.00 C ATOM 833 C MET A 56 -3.023 1.223 8.842 1.00 0.00 C ATOM 834 O MET A 56 -3.884 1.321 9.722 1.00 0.00 O ATOM 835 CB MET A 56 -4.162 -0.378 7.258 1.00 0.00 C ATOM 836 CG MET A 56 -4.321 0.647 6.121 1.00 0.00 C ATOM 837 SD MET A 56 -5.990 0.828 5.432 1.00 0.00 S ATOM 838 CE MET A 56 -6.259 -0.832 4.779 1.00 0.00 C ATOM 0 H MET A 56 -3.220 -1.915 9.017 1.00 0.00 H new ATOM 0 HA MET A 56 -2.074 0.028 7.322 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.122 -1.387 6.848 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.027 -0.337 7.921 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.995 1.620 6.489 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.645 0.369 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.253 -0.892 4.335 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.509 -1.050 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.178 -1.559 5.588 1.00 0.00 H new ATOM 848 N CYS A 57 -2.197 2.222 8.531 1.00 0.00 N ATOM 849 CA CYS A 57 -2.191 3.531 9.170 1.00 0.00 C ATOM 850 C CYS A 57 -2.276 4.635 8.110 1.00 0.00 C ATOM 851 O CYS A 57 -1.887 4.435 6.953 1.00 0.00 O ATOM 852 CB CYS A 57 -0.900 3.650 9.997 1.00 0.00 C ATOM 853 SG CYS A 57 -0.927 5.092 11.097 1.00 0.00 S ATOM 0 H CYS A 57 -1.490 2.135 7.801 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.054 3.643 9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.764 2.745 10.589 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.045 3.723 9.325 1.00 0.00 H new ATOM 0 HG CYS A 57 0.183 5.144 11.772 1.00 0.00 H new ATOM 859 N LEU A 58 -2.806 5.798 8.498 1.00 0.00 N ATOM 860 CA LEU A 58 -2.931 6.972 7.633 1.00 0.00 C ATOM 861 C LEU A 58 -1.529 7.534 7.431 1.00 0.00 C ATOM 862 O LEU A 58 -0.739 7.558 8.381 1.00 0.00 O ATOM 863 CB LEU A 58 -3.793 8.059 8.305 1.00 0.00 C ATOM 864 CG LEU A 58 -5.304 7.804 8.199 1.00 0.00 C ATOM 865 CD1 LEU A 58 -6.082 8.589 9.248 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.825 8.170 6.804 1.00 0.00 C ATOM 0 H LEU A 58 -3.167 5.952 9.440 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.401 6.686 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.518 8.128 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.564 9.023 7.852 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.458 6.739 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.147 8.383 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.753 8.291 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.904 9.656 9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.897 7.980 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.634 9.225 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.315 7.565 6.055 1.00 0.00 H new ATOM 878 N LEU A 59 -1.180 7.933 6.208 1.00 0.00 N ATOM 879 CA LEU A 59 0.136 8.510 5.954 1.00 0.00 C ATOM 880 C LEU A 59 0.113 9.975 6.372 1.00 0.00 C ATOM 881 O LEU A 59 -0.947 10.575 6.564 1.00 0.00 O ATOM 882 CB LEU A 59 0.535 8.394 4.476 1.00 0.00 C ATOM 883 CG LEU A 59 1.069 7.004 4.109 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.208 6.908 2.593 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.440 6.757 4.751 1.00 0.00 C ATOM 0 H LEU A 59 -1.783 7.868 5.388 1.00 0.00 H new ATOM 0 HA LEU A 59 0.876 7.958 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.330 8.622 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.296 9.141 4.251 1.00 0.00 H new ATOM 0 HG LEU A 59 0.369 6.254 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.587 5.922 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.234 7.061 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.902 7.672 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.797 5.765 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.147 7.508 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.351 6.823 5.835 1.00 0.00 H new ATOM 897 N LYS A 60 1.298 10.562 6.495 1.00 0.00 N ATOM 898 CA LYS A 60 1.458 11.955 6.883 1.00 0.00 C ATOM 899 C LYS A 60 0.772 12.810 5.828 1.00 0.00 C ATOM 900 O LYS A 60 0.909 12.547 4.632 1.00 0.00 O ATOM 901 CB LYS A 60 2.947 12.272 7.036 1.00 0.00 C ATOM 902 CG LYS A 60 3.540 11.418 8.164 1.00 0.00 C ATOM 903 CD LYS A 60 4.991 11.786 8.470 1.00 0.00 C ATOM 904 CE LYS A 60 5.466 11.041 9.723 1.00 0.00 C ATOM 905 NZ LYS A 60 5.465 9.573 9.548 1.00 0.00 N ATOM 0 H LYS A 60 2.181 10.079 6.327 1.00 0.00 H new ATOM 0 HA LYS A 60 0.996 12.166 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.470 12.072 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.083 13.331 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.939 11.542 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.485 10.365 7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.626 11.531 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.078 12.862 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.473 11.372 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.822 11.303 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.904 9.124 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.486 9.236 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.004 9.325 8.694 1.00 0.00 H new ATOM 919 N GLY A 61 0.020 13.815 6.261 1.00 0.00 N ATOM 920 CA GLY A 61 -0.709 14.690 5.361 1.00 0.00 C ATOM 921 C GLY A 61 -1.975 14.030 4.824 1.00 0.00 C ATOM 922 O GLY A 61 -2.661 14.651 4.016 1.00 0.00 O ATOM 0 H GLY A 61 -0.099 14.044 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.973 15.609 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.065 14.971 4.528 1.00 0.00 H new ATOM 926 N ASN A 62 -2.304 12.804 5.261 1.00 0.00 N ATOM 927 CA ASN A 62 -3.463 12.005 4.878 1.00 0.00 C ATOM 928 C ASN A 62 -3.525 11.745 3.369 1.00 0.00 C ATOM 929 O ASN A 62 -4.513 11.203 2.899 1.00 0.00 O ATOM 930 CB ASN A 62 -4.775 12.598 5.439 1.00 0.00 C ATOM 931 CG ASN A 62 -4.844 12.598 6.960 1.00 0.00 C ATOM 932 OD1 ASN A 62 -5.268 11.636 7.591 1.00 0.00 O ATOM 933 ND2 ASN A 62 -4.441 13.679 7.601 1.00 0.00 N ATOM 0 H ASN A 62 -1.720 12.316 5.940 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.341 11.025 5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.884 13.621 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.618 12.030 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.483 13.713 8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.088 14.480 7.078 1.00 0.00 H new ATOM 940 N MET A 63 -2.482 12.056 2.592 1.00 0.00 N ATOM 941 CA MET A 63 -2.427 11.857 1.141 1.00 0.00 C ATOM 942 C MET A 63 -2.121 10.396 0.768 1.00 0.00 C ATOM 943 O MET A 63 -1.320 10.119 -0.133 1.00 0.00 O ATOM 944 CB MET A 63 -1.435 12.856 0.525 1.00 0.00 C ATOM 945 CG MET A 63 -1.909 14.302 0.737 1.00 0.00 C ATOM 946 SD MET A 63 -1.797 15.375 -0.718 1.00 0.00 S ATOM 947 CE MET A 63 -2.929 14.498 -1.832 1.00 0.00 C ATOM 0 H MET A 63 -1.627 12.466 2.968 1.00 0.00 H new ATOM 0 HA MET A 63 -3.411 12.057 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.451 12.722 0.975 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.327 12.657 -0.541 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.945 14.281 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.321 14.745 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.288 15.184 -2.599 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.404 13.668 -2.304 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.776 14.115 -1.262 1.00 0.00 H new ATOM 957 N GLY A 64 -2.695 9.450 1.511 1.00 0.00 N ATOM 958 CA GLY A 64 -2.529 8.026 1.291 1.00 0.00 C ATOM 959 C GLY A 64 -2.517 7.259 2.602 1.00 0.00 C ATOM 960 O GLY A 64 -2.694 7.823 3.690 1.00 0.00 O ATOM 0 H GLY A 64 -3.303 9.666 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.338 7.657 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.598 7.846 0.754 1.00 0.00 H new ATOM 964 N VAL A 65 -2.310 5.952 2.494 1.00 0.00 N ATOM 965 CA VAL A 65 -2.249 5.016 3.606 1.00 0.00 C ATOM 966 C VAL A 65 -1.088 4.047 3.343 1.00 0.00 C ATOM 967 O VAL A 65 -0.645 3.883 2.201 1.00 0.00 O ATOM 968 CB VAL A 65 -3.609 4.307 3.793 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.733 5.286 4.154 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.086 3.545 2.554 1.00 0.00 C ATOM 0 H VAL A 65 -2.175 5.498 1.591 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.058 5.532 4.547 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.417 3.606 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.668 4.738 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.487 5.794 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.844 6.022 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.047 3.075 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.196 4.238 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.356 2.779 2.295 1.00 0.00 H new ATOM 980 N CYS A 66 -0.577 3.399 4.387 1.00 0.00 N ATOM 981 CA CYS A 66 0.520 2.447 4.284 1.00 0.00 C ATOM 982 C CYS A 66 0.198 1.251 5.170 1.00 0.00 C ATOM 983 O CYS A 66 -0.480 1.405 6.194 1.00 0.00 O ATOM 984 CB CYS A 66 1.841 3.150 4.612 1.00 0.00 C ATOM 985 SG CYS A 66 1.871 3.787 6.313 1.00 0.00 S ATOM 0 H CYS A 66 -0.919 3.524 5.340 1.00 0.00 H new ATOM 0 HA CYS A 66 0.640 2.064 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.667 2.453 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.996 3.973 3.914 1.00 0.00 H new ATOM 0 HG CYS A 66 3.011 4.370 6.538 1.00 0.00 H new ATOM 991 N PHE A 67 0.659 0.066 4.781 1.00 0.00 N ATOM 992 CA PHE A 67 0.422 -1.185 5.485 1.00 0.00 C ATOM 993 C PHE A 67 1.541 -2.180 5.183 1.00 0.00 C ATOM 994 O PHE A 67 2.467 -1.872 4.427 1.00 0.00 O ATOM 995 CB PHE A 67 -0.951 -1.741 5.066 1.00 0.00 C ATOM 996 CG PHE A 67 -1.193 -1.927 3.575 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.572 -0.831 2.778 1.00 0.00 C ATOM 998 CD2 PHE A 67 -1.157 -3.209 2.999 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.933 -1.017 1.433 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -1.539 -3.398 1.655 1.00 0.00 C ATOM 1001 CZ PHE A 67 -1.939 -2.303 0.873 1.00 0.00 C ATOM 0 H PHE A 67 1.225 -0.051 3.941 1.00 0.00 H new ATOM 0 HA PHE A 67 0.418 -1.013 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.090 -2.705 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.720 -1.073 5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.585 0.161 3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.835 -4.054 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.207 -0.166 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.524 -4.389 1.226 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.249 -2.449 -0.151 1.00 0.00 H new ATOM 1011 N ASP A 68 1.474 -3.354 5.812 1.00 0.00 N ATOM 1012 CA ASP A 68 2.426 -4.447 5.644 1.00 0.00 C ATOM 1013 C ASP A 68 1.633 -5.625 5.078 1.00 0.00 C ATOM 1014 O ASP A 68 0.440 -5.774 5.375 1.00 0.00 O ATOM 1015 CB ASP A 68 3.051 -4.907 6.974 1.00 0.00 C ATOM 1016 CG ASP A 68 3.869 -3.887 7.764 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.349 -2.870 7.218 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.025 -4.105 8.993 1.00 0.00 O ATOM 0 H ASP A 68 0.730 -3.575 6.474 1.00 0.00 H new ATOM 0 HA ASP A 68 3.237 -4.108 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.246 -5.262 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.693 -5.762 6.765 1.00 0.00 H new ATOM 1023 N VAL A 69 2.293 -6.484 4.305 1.00 0.00 N ATOM 1024 CA VAL A 69 1.722 -7.678 3.685 1.00 0.00 C ATOM 1025 C VAL A 69 2.792 -8.770 3.654 1.00 0.00 C ATOM 1026 O VAL A 69 3.986 -8.456 3.754 1.00 0.00 O ATOM 1027 CB VAL A 69 1.251 -7.383 2.238 1.00 0.00 C ATOM 1028 CG1 VAL A 69 0.027 -6.470 2.211 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.338 -6.757 1.353 1.00 0.00 C ATOM 0 H VAL A 69 3.281 -6.362 4.084 1.00 0.00 H new ATOM 0 HA VAL A 69 0.858 -8.000 4.267 1.00 0.00 H new ATOM 0 HB VAL A 69 0.998 -8.362 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.269 -6.289 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.794 -6.947 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.270 -5.522 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.937 -6.578 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.662 -5.812 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.188 -7.436 1.286 1.00 0.00 H new ATOM 1039 N PRO A 70 2.416 -10.054 3.544 1.00 0.00 N ATOM 1040 CA PRO A 70 3.406 -11.107 3.456 1.00 0.00 C ATOM 1041 C PRO A 70 4.044 -10.994 2.067 1.00 0.00 C ATOM 1042 O PRO A 70 3.404 -10.566 1.101 1.00 0.00 O ATOM 1043 CB PRO A 70 2.633 -12.409 3.634 1.00 0.00 C ATOM 1044 CG PRO A 70 1.263 -12.072 3.050 1.00 0.00 C ATOM 1045 CD PRO A 70 1.074 -10.607 3.436 1.00 0.00 C ATOM 0 HA PRO A 70 4.199 -11.053 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.106 -13.236 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.565 -12.699 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.240 -12.210 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.480 -12.704 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.491 -10.076 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.536 -10.517 4.380 1.00 0.00 H new ATOM 1053 N THR A 71 5.303 -11.404 1.966 1.00 0.00 N ATOM 1054 CA THR A 71 6.067 -11.372 0.723 1.00 0.00 C ATOM 1055 C THR A 71 5.320 -12.105 -0.415 1.00 0.00 C ATOM 1056 O THR A 71 5.247 -11.615 -1.539 1.00 0.00 O ATOM 1057 CB THR A 71 7.479 -11.927 1.002 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.455 -13.038 1.893 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.386 -10.888 1.677 1.00 0.00 C ATOM 0 H THR A 71 5.830 -11.774 2.757 1.00 0.00 H new ATOM 0 HA THR A 71 6.176 -10.347 0.368 1.00 0.00 H new ATOM 0 HB THR A 71 7.858 -12.212 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.497 -12.717 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.369 -11.324 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.486 -10.017 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.947 -10.585 2.628 1.00 0.00 H new ATOM 1067 N THR A 72 4.671 -13.225 -0.113 1.00 0.00 N ATOM 1068 CA THR A 72 3.901 -14.065 -1.023 1.00 0.00 C ATOM 1069 C THR A 72 2.712 -13.349 -1.682 1.00 0.00 C ATOM 1070 O THR A 72 2.635 -13.270 -2.910 1.00 0.00 O ATOM 1071 CB THR A 72 3.405 -15.281 -0.213 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.103 -14.873 1.114 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.480 -16.359 -0.130 1.00 0.00 C ATOM 0 H THR A 72 4.669 -13.594 0.838 1.00 0.00 H new ATOM 0 HA THR A 72 4.551 -14.356 -1.848 1.00 0.00 H new ATOM 0 HB THR A 72 2.523 -15.680 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.786 -15.644 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.104 -17.204 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.740 -16.692 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.366 -15.953 0.358 1.00 0.00 H new ATOM 1081 N GLU A 73 1.769 -12.830 -0.892 1.00 0.00 N ATOM 1082 CA GLU A 73 0.583 -12.162 -1.424 1.00 0.00 C ATOM 1083 C GLU A 73 0.932 -10.836 -2.114 1.00 0.00 C ATOM 1084 O GLU A 73 0.191 -10.402 -2.998 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.473 -11.982 -0.313 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.925 -11.996 -0.836 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.473 -13.420 -1.047 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.971 -14.162 -1.923 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.413 -13.851 -0.341 1.00 0.00 O ATOM 0 H GLU A 73 1.807 -12.861 0.127 1.00 0.00 H new ATOM 0 HA GLU A 73 0.151 -12.799 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.353 -12.776 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.290 -11.039 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.565 -11.467 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.971 -11.451 -1.779 1.00 0.00 H new ATOM 1096 N SER A 74 2.067 -10.210 -1.765 1.00 0.00 N ATOM 1097 CA SER A 74 2.483 -8.937 -2.351 1.00 0.00 C ATOM 1098 C SER A 74 2.593 -8.987 -3.881 1.00 0.00 C ATOM 1099 O SER A 74 2.379 -7.970 -4.540 1.00 0.00 O ATOM 1100 CB SER A 74 3.797 -8.457 -1.708 1.00 0.00 C ATOM 1101 OG SER A 74 4.937 -9.129 -2.206 1.00 0.00 O ATOM 0 H SER A 74 2.717 -10.576 -1.069 1.00 0.00 H new ATOM 0 HA SER A 74 1.699 -8.212 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.909 -7.387 -1.881 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.740 -8.601 -0.629 1.00 0.00 H new ATOM 0 HG SER A 74 5.147 -9.891 -1.627 1.00 0.00 H new ATOM 1107 N GLU A 75 2.927 -10.150 -4.443 1.00 0.00 N ATOM 1108 CA GLU A 75 3.086 -10.361 -5.875 1.00 0.00 C ATOM 1109 C GLU A 75 1.733 -10.308 -6.568 1.00 0.00 C ATOM 1110 O GLU A 75 1.545 -9.505 -7.475 1.00 0.00 O ATOM 1111 CB GLU A 75 3.781 -11.713 -6.120 1.00 0.00 C ATOM 1112 CG GLU A 75 5.182 -11.729 -5.499 1.00 0.00 C ATOM 1113 CD GLU A 75 5.944 -13.015 -5.796 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.639 -14.082 -5.222 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.889 -12.986 -6.623 1.00 0.00 O ATOM 0 H GLU A 75 3.098 -10.993 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 75 3.707 -9.569 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.181 -12.517 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.852 -11.901 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.751 -10.879 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.098 -11.603 -4.420 1.00 0.00 H new ATOM 1122 N ARG A 76 0.770 -11.132 -6.144 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.547 -11.121 -6.778 1.00 0.00 C ATOM 1124 C ARG A 76 -1.227 -9.772 -6.603 1.00 0.00 C ATOM 1125 O ARG A 76 -1.939 -9.338 -7.505 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.428 -12.246 -6.229 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.883 -13.625 -6.634 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.894 -14.741 -6.360 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.493 -14.649 -5.017 1.00 0.00 N ATOM 1130 CZ ARG A 76 -3.775 -14.876 -4.713 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -4.630 -15.326 -5.624 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -4.216 -14.676 -3.485 1.00 0.00 N ATOM 0 H ARG A 76 0.875 -11.801 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.404 -11.291 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.477 -12.176 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.446 -12.130 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.629 -13.618 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.038 -13.827 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.685 -14.701 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.401 -15.707 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.873 -14.389 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.313 -15.505 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.604 -15.493 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.577 -14.346 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.195 -14.851 -3.260 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.977 -9.094 -5.481 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.551 -7.792 -5.171 1.00 0.00 C ATOM 1148 C LEU A 77 -1.111 -6.740 -6.183 1.00 0.00 C ATOM 1149 O LEU A 77 -1.866 -5.813 -6.462 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.150 -7.375 -3.745 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.039 -8.043 -2.684 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.413 -7.989 -1.287 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.393 -7.340 -2.625 1.00 0.00 C ATOM 0 H LEU A 77 -0.357 -9.445 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.637 -7.869 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.108 -7.643 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.221 -6.292 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.151 -9.087 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.078 -8.473 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.453 -8.506 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.262 -6.950 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.019 -7.818 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.248 -6.292 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.881 -7.408 -3.597 1.00 0.00 H new ATOM 1165 N GLN A 78 0.109 -6.863 -6.707 1.00 0.00 N ATOM 1166 CA GLN A 78 0.647 -5.944 -7.697 1.00 0.00 C ATOM 1167 C GLN A 78 -0.107 -6.091 -9.025 1.00 0.00 C ATOM 1168 O GLN A 78 -0.221 -5.114 -9.763 1.00 0.00 O ATOM 1169 CB GLN A 78 2.165 -6.186 -7.819 1.00 0.00 C ATOM 1170 CG GLN A 78 2.892 -5.381 -6.738 1.00 0.00 C ATOM 1171 CD GLN A 78 4.358 -5.772 -6.576 1.00 0.00 C ATOM 1172 OE1 GLN A 78 5.242 -5.252 -7.251 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.651 -6.676 -5.660 1.00 0.00 N ATOM 0 H GLN A 78 0.753 -7.611 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 78 0.503 -4.909 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.386 -7.248 -7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.514 -5.888 -8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.831 -4.320 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.379 -5.519 -5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.907 -7.100 -5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.621 -6.950 -5.506 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.648 -7.277 -9.311 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.399 -7.536 -10.531 1.00 0.00 C ATOM 1184 C ALA A 79 -2.887 -7.208 -10.364 1.00 0.00 C ATOM 1185 O ALA A 79 -3.512 -6.709 -11.299 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.255 -9.017 -10.892 1.00 0.00 C ATOM 0 H ALA A 79 -0.574 -8.087 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.999 -6.898 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.813 -9.225 -11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.202 -9.253 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.647 -9.629 -10.080 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.449 -7.466 -9.179 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.856 -7.258 -8.834 1.00 0.00 C ATOM 1194 C GLU A 80 -5.258 -5.788 -8.752 1.00 0.00 C ATOM 1195 O GLU A 80 -6.456 -5.483 -8.760 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.149 -7.966 -7.497 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.240 -9.486 -7.717 1.00 0.00 C ATOM 1198 CD GLU A 80 -5.309 -10.291 -6.419 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -4.588 -9.996 -5.442 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.056 -11.297 -6.391 1.00 0.00 O ATOM 0 H GLU A 80 -2.909 -7.843 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.453 -7.683 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.363 -7.741 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.083 -7.594 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.123 -9.705 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.374 -9.814 -8.292 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.290 -4.873 -8.679 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.576 -3.455 -8.597 1.00 0.00 C ATOM 1209 C TRP A 81 -4.934 -2.911 -9.986 1.00 0.00 C ATOM 1210 O TRP A 81 -4.132 -2.308 -10.703 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.464 -2.717 -7.852 1.00 0.00 C ATOM 1212 CG TRP A 81 -3.965 -1.477 -7.159 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.564 -0.213 -7.417 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.006 -1.350 -6.136 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.333 0.681 -6.705 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.219 0.037 -5.868 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.816 -2.262 -5.422 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.156 0.495 -4.922 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.779 -1.809 -4.502 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.941 -0.447 -4.235 1.00 0.00 C ATOM 0 H TRP A 81 -3.296 -5.100 -8.676 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.462 -3.274 -7.989 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.017 -3.386 -7.117 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.677 -2.445 -8.555 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.758 0.057 -8.084 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.256 1.695 -6.787 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.694 -3.323 -5.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.269 1.551 -4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.405 -2.527 -3.993 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.666 -0.120 -3.504 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.203 -3.093 -10.331 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.882 -2.704 -11.557 1.00 0.00 C ATOM 1233 C HIS A 82 -8.258 -2.173 -11.124 1.00 0.00 C ATOM 1234 O HIS A 82 -8.732 -2.512 -10.033 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.015 -3.945 -12.464 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.269 -3.833 -13.768 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.910 -3.947 -13.971 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.848 -3.652 -14.991 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.685 -3.832 -15.291 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.837 -3.656 -15.959 1.00 0.00 N ATOM 0 H HIS A 82 -6.845 -3.564 -9.693 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.342 -1.942 -12.120 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.651 -4.819 -11.923 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.071 -4.117 -12.675 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.904 -3.527 -15.179 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.709 -3.875 -15.752 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.952 -3.547 -16.967 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.929 -1.378 -11.958 1.00 0.00 N ATOM 1249 CA ASP A 83 -10.239 -0.772 -11.697 1.00 0.00 C ATOM 1250 C ASP A 83 -10.231 0.276 -10.561 1.00 0.00 C ATOM 1251 O ASP A 83 -11.258 0.471 -9.895 1.00 0.00 O ATOM 1252 CB ASP A 83 -11.372 -1.809 -11.547 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.838 -2.517 -12.816 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.008 -1.872 -13.876 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -12.269 -3.685 -12.686 1.00 0.00 O ATOM 0 H ASP A 83 -8.560 -1.127 -12.875 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.466 -0.209 -12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.044 -2.568 -10.837 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.233 -1.308 -11.103 1.00 0.00 H new ATOM 1260 N SER A 84 -9.096 0.933 -10.279 1.00 0.00 N ATOM 1261 CA SER A 84 -8.937 1.982 -9.281 1.00 0.00 C ATOM 1262 C SER A 84 -8.097 3.071 -9.953 1.00 0.00 C ATOM 1263 O SER A 84 -7.461 2.844 -10.986 1.00 0.00 O ATOM 1264 CB SER A 84 -8.282 1.462 -7.996 1.00 0.00 C ATOM 1265 OG SER A 84 -8.312 2.426 -6.959 1.00 0.00 O ATOM 0 H SER A 84 -8.225 0.731 -10.770 1.00 0.00 H new ATOM 0 HA SER A 84 -9.904 2.370 -8.962 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.796 0.559 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.249 1.183 -8.203 1.00 0.00 H new ATOM 0 HG SER A 84 -7.743 2.128 -6.219 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.107 4.265 -9.371 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.361 5.429 -9.857 1.00 0.00 C ATOM 1273 C ASP A 85 -6.169 5.721 -8.931 1.00 0.00 C ATOM 1274 O ASP A 85 -5.388 6.630 -9.209 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.294 6.658 -9.934 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.396 6.560 -10.992 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.193 5.942 -12.062 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.498 7.120 -10.795 1.00 0.00 O ATOM 0 H ASP A 85 -8.646 4.459 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.980 5.213 -10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.758 6.807 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.691 7.543 -10.138 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.053 4.990 -7.815 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.988 5.165 -6.820 1.00 0.00 C ATOM 1285 C TRP A 86 -3.695 4.461 -7.274 1.00 0.00 C ATOM 1286 O TRP A 86 -3.771 3.475 -8.016 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.449 4.587 -5.471 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.614 5.176 -4.719 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.838 5.493 -5.205 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.695 5.420 -3.279 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.660 5.907 -4.172 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.017 5.841 -2.955 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.784 5.309 -2.206 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.426 6.095 -1.636 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.176 5.562 -0.877 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.499 5.940 -0.589 1.00 0.00 C ATOM 0 H TRP A 86 -6.709 4.247 -7.574 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.780 6.230 -6.713 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.680 3.535 -5.639 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.590 4.621 -4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.129 5.432 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.622 6.222 -4.296 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.762 5.023 -2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.439 6.405 -1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.458 5.465 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.803 6.111 0.433 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.517 4.914 -6.810 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.210 4.337 -7.171 1.00 0.00 C ATOM 1309 C ILE A 87 -0.748 3.393 -6.051 1.00 0.00 C ATOM 1310 O ILE A 87 -0.788 3.774 -4.875 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.150 5.435 -7.466 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.663 6.609 -8.337 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.062 4.790 -8.164 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.256 7.775 -7.530 1.00 0.00 C ATOM 0 H ILE A 87 -2.445 5.701 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.323 3.768 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 87 0.115 5.865 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.161 6.983 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.421 6.234 -9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.810 5.554 -8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.494 4.029 -7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.741 4.330 -9.098 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.592 8.556 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.102 7.418 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.495 8.179 -6.862 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.342 2.156 -6.365 1.00 0.00 N ATOM 1327 CA LEU A 88 0.124 1.124 -5.424 1.00 0.00 C ATOM 1328 C LEU A 88 1.636 0.957 -5.551 1.00 0.00 C ATOM 1329 O LEU A 88 2.139 0.759 -6.662 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.576 -0.215 -5.740 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.124 -1.421 -4.882 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.650 -1.306 -3.450 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.658 -2.736 -5.461 1.00 0.00 C ATOM 0 H LEU A 88 -0.328 1.829 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.118 1.427 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.650 -0.083 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.407 -0.455 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 88 0.966 -1.417 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.317 -2.167 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.269 -0.392 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.740 -1.277 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.326 -3.568 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.747 -2.709 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.280 -2.867 -6.475 1.00 0.00 H new ATOM 1345 N SER A 89 2.366 0.994 -4.435 1.00 0.00 N ATOM 1346 CA SER A 89 3.822 0.843 -4.416 1.00 0.00 C ATOM 1347 C SER A 89 4.265 -0.044 -3.256 1.00 0.00 C ATOM 1348 O SER A 89 3.517 -0.234 -2.299 1.00 0.00 O ATOM 1349 CB SER A 89 4.501 2.214 -4.321 1.00 0.00 C ATOM 1350 OG SER A 89 3.892 3.128 -5.206 1.00 0.00 O ATOM 0 H SER A 89 1.959 1.131 -3.510 1.00 0.00 H new ATOM 0 HA SER A 89 4.123 0.364 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.436 2.589 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.561 2.119 -4.559 1.00 0.00 H new ATOM 0 HG SER A 89 4.335 3.999 -5.133 1.00 0.00 H new ATOM 1356 N VAL A 90 5.505 -0.524 -3.325 1.00 0.00 N ATOM 1357 CA VAL A 90 6.144 -1.386 -2.341 1.00 0.00 C ATOM 1358 C VAL A 90 7.511 -0.756 -2.002 1.00 0.00 C ATOM 1359 O VAL A 90 8.513 -1.042 -2.674 1.00 0.00 O ATOM 1360 CB VAL A 90 6.131 -2.855 -2.845 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.351 -3.028 -4.356 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.126 -3.754 -2.104 1.00 0.00 C ATOM 0 H VAL A 90 6.120 -0.309 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 90 5.611 -1.452 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 90 5.111 -3.169 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.325 -4.088 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.564 -2.506 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.320 -2.613 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.068 -4.767 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.136 -3.368 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.883 -3.768 -1.042 1.00 0.00 H new ATOM 1372 N PRO A 91 7.578 0.174 -1.028 1.00 0.00 N ATOM 1373 CA PRO A 91 8.826 0.825 -0.640 1.00 0.00 C ATOM 1374 C PRO A 91 9.796 -0.156 0.036 1.00 0.00 C ATOM 1375 O PRO A 91 9.466 -1.322 0.285 1.00 0.00 O ATOM 1376 CB PRO A 91 8.422 1.988 0.271 1.00 0.00 C ATOM 1377 CG PRO A 91 7.104 1.535 0.885 1.00 0.00 C ATOM 1378 CD PRO A 91 6.488 0.622 -0.176 1.00 0.00 C ATOM 0 HA PRO A 91 9.375 1.192 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.175 2.176 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.303 2.913 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.264 1.003 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.455 2.383 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.986 -0.227 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.737 1.157 -0.758 1.00 0.00 H new ATOM 1386 N ALA A 92 11.015 0.317 0.292 1.00 0.00 N ATOM 1387 CA ALA A 92 12.096 -0.432 0.915 1.00 0.00 C ATOM 1388 C ALA A 92 12.432 0.132 2.281 1.00 0.00 C ATOM 1389 O ALA A 92 11.819 1.145 2.682 1.00 0.00 O ATOM 1390 CB ALA A 92 13.321 -0.439 -0.010 1.00 0.00 C ATOM 0 H ALA A 92 11.284 1.273 0.060 1.00 0.00 H new ATOM 0 HA ALA A 92 11.773 -1.462 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.128 -1.001 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.058 -0.907 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.648 0.585 -0.189 1.00 0.00 H new TER 1396 ALA A 92