USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 18 GLN : amide:sc= -0.66 K(o=-0.15,f=1.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.513 USER MOD Single : A 5 TYR OH : rot 151:sc= -5.62! USER MOD Single : A 11 THR OG1 : rot -91:sc= -1.03 USER MOD Single : A 23 ASN : amide:sc= -2.54 K(o=-2.5,f=-11!) USER MOD Single : A 26 TYR OH : rot 179:sc= 1.3 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.338 USER MOD Single : A 38 GLN : amide:sc= -1.2! C(o=-1.2!,f=-2.1!) USER MOD Single : A 41 TYR OH : rot 9:sc= -0.285 USER MOD Single : A 47 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-2.9!) USER MOD Single : A 49 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.38) USER MOD Single : A 54 THR OG1 : rot -49:sc= 0.798 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.722 K(o=-0.72,f=-0.048) USER MOD Single : A 69 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.54) USER MOD Single : A 70 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-2) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -0.944 -1.785 -11.366 1.00 0.00 N ATOM 56 CA PRO A 4 0.266 -1.226 -10.744 1.00 0.00 C ATOM 57 C PRO A 4 0.212 0.294 -10.625 1.00 0.00 C ATOM 58 O PRO A 4 -0.579 0.951 -11.302 1.00 0.00 O ATOM 59 CB PRO A 4 1.387 -1.634 -11.707 1.00 0.00 C ATOM 60 CG PRO A 4 0.851 -2.815 -12.438 1.00 0.00 C ATOM 61 CD PRO A 4 -0.625 -2.571 -12.573 1.00 0.00 C ATOM 0 HA PRO A 4 0.399 -1.592 -9.726 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.634 -0.823 -12.393 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.300 -1.884 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.322 -2.918 -13.415 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.047 -3.737 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.862 -2.023 -13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.187 -3.504 -12.607 1.00 0.00 H new ATOM 69 N TYR A 5 1.072 0.850 -9.774 1.00 0.00 N ATOM 70 CA TYR A 5 1.129 2.297 -9.588 1.00 0.00 C ATOM 71 C TYR A 5 2.552 2.754 -9.329 1.00 0.00 C ATOM 72 O TYR A 5 2.996 3.760 -9.879 1.00 0.00 O ATOM 73 CB TYR A 5 0.220 2.754 -8.446 1.00 0.00 C ATOM 74 CG TYR A 5 -1.205 2.990 -8.891 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.035 1.925 -9.196 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.708 4.277 -9.027 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.331 2.132 -9.628 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.005 4.494 -9.453 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.812 3.419 -9.754 1.00 0.00 C ATOM 80 OH TYR A 5 -5.101 3.631 -10.185 1.00 0.00 O ATOM 0 H TYR A 5 1.735 0.323 -9.206 1.00 0.00 H new ATOM 0 HA TYR A 5 0.773 2.754 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.230 2.002 -7.657 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.618 3.673 -8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.664 0.916 -9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.076 5.122 -8.796 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.965 1.290 -9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.384 5.501 -9.549 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.440 4.468 -9.804 1.00 0.00 H new ATOM 90 N VAL A 6 3.277 2.006 -8.499 1.00 0.00 N ATOM 91 CA VAL A 6 4.653 2.354 -8.195 1.00 0.00 C ATOM 92 C VAL A 6 4.746 3.729 -7.540 1.00 0.00 C ATOM 93 O VAL A 6 4.183 4.706 -8.034 1.00 0.00 O ATOM 94 CB VAL A 6 5.507 2.348 -9.470 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.983 2.496 -9.136 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.251 1.079 -10.264 1.00 0.00 C ATOM 0 H VAL A 6 2.935 1.166 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 6 5.030 1.605 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 6 5.221 3.202 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.567 2.489 -10.056 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.145 3.438 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.297 1.668 -8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.862 1.085 -11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.509 0.211 -9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.198 1.028 -10.539 1.00 0.00 H new ATOM 106 N GLY A 7 5.451 3.797 -6.421 1.00 0.00 N ATOM 107 CA GLY A 7 5.597 5.054 -5.713 1.00 0.00 C ATOM 108 C GLY A 7 5.927 4.855 -4.250 1.00 0.00 C ATOM 109 O GLY A 7 5.473 3.894 -3.634 1.00 0.00 O ATOM 0 H GLY A 7 5.926 3.004 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.384 5.644 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.674 5.627 -5.800 1.00 0.00 H new ATOM 113 N ILE A 8 6.712 5.767 -3.685 1.00 0.00 N ATOM 114 CA ILE A 8 7.080 5.672 -2.279 1.00 0.00 C ATOM 115 C ILE A 8 6.127 6.498 -1.434 1.00 0.00 C ATOM 116 O ILE A 8 6.276 7.709 -1.296 1.00 0.00 O ATOM 117 CB ILE A 8 8.537 6.111 -2.035 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.475 5.146 -2.771 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.840 6.163 -0.539 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.556 4.526 -1.907 1.00 0.00 C ATOM 0 H ILE A 8 7.102 6.572 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 8 7.004 4.625 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 8 8.692 7.117 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.879 4.347 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.949 5.680 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.873 6.475 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.171 6.876 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.692 5.175 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.169 3.859 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.182 5.313 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.095 3.959 -1.098 1.00 0.00 H new ATOM 132 N TRP A 9 5.141 5.819 -0.882 1.00 0.00 N ATOM 133 CA TRP A 9 4.130 6.459 -0.056 1.00 0.00 C ATOM 134 C TRP A 9 4.562 6.473 1.405 1.00 0.00 C ATOM 135 O TRP A 9 4.585 5.439 2.072 1.00 0.00 O ATOM 136 CB TRP A 9 2.791 5.738 -0.233 1.00 0.00 C ATOM 137 CG TRP A 9 2.416 5.557 -1.680 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.981 4.693 -2.577 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.402 6.268 -2.402 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.381 4.817 -3.809 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.406 5.780 -3.726 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.488 7.269 -2.060 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.535 6.259 -4.701 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.377 7.743 -3.029 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.348 7.237 -4.336 1.00 0.00 C ATOM 0 H TRP A 9 5.016 4.813 -0.991 1.00 0.00 H new ATOM 0 HA TRP A 9 4.010 7.495 -0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.842 4.762 0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.009 6.304 0.273 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.785 4.009 -2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.621 4.283 -4.644 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.458 7.665 -1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.556 5.872 -5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.087 8.516 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.037 7.628 -5.070 1.00 0.00 H new ATOM 156 N VAL A 10 4.926 7.659 1.885 1.00 0.00 N ATOM 157 CA VAL A 10 5.385 7.827 3.260 1.00 0.00 C ATOM 158 C VAL A 10 4.413 8.677 4.071 1.00 0.00 C ATOM 159 O VAL A 10 3.661 9.482 3.522 1.00 0.00 O ATOM 160 CB VAL A 10 6.786 8.479 3.291 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.206 8.827 4.713 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.813 7.563 2.644 1.00 0.00 C ATOM 0 H VAL A 10 4.912 8.521 1.339 1.00 0.00 H new ATOM 0 HA VAL A 10 5.437 6.835 3.708 1.00 0.00 H new ATOM 0 HB VAL A 10 6.734 9.407 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.196 9.284 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.490 9.527 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.234 7.920 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.794 8.037 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.850 6.618 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.532 7.376 1.607 1.00 0.00 H new ATOM 172 N THR A 11 4.438 8.486 5.385 1.00 0.00 N ATOM 173 CA THR A 11 3.566 9.228 6.287 1.00 0.00 C ATOM 174 C THR A 11 3.941 10.707 6.320 1.00 0.00 C ATOM 175 O THR A 11 4.915 11.125 5.695 1.00 0.00 O ATOM 176 CB THR A 11 3.642 8.633 7.694 1.00 0.00 C ATOM 177 OG1 THR A 11 4.908 8.034 7.916 1.00 0.00 O ATOM 178 CG2 THR A 11 2.584 7.582 7.950 1.00 0.00 C ATOM 0 H THR A 11 5.055 7.821 5.851 1.00 0.00 H new ATOM 0 HA THR A 11 2.544 9.147 5.918 1.00 0.00 H new ATOM 0 HB THR A 11 3.477 9.468 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.872 7.088 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.690 7.198 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.595 8.025 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.703 6.765 7.239 1.00 0.00 H new ATOM 186 N ALA A 12 3.158 11.497 7.052 1.00 0.00 N ATOM 187 CA ALA A 12 3.405 12.931 7.163 1.00 0.00 C ATOM 188 C ALA A 12 4.550 13.227 8.128 1.00 0.00 C ATOM 189 O ALA A 12 5.135 14.310 8.091 1.00 0.00 O ATOM 190 CB ALA A 12 2.138 13.654 7.604 1.00 0.00 C ATOM 0 H ALA A 12 2.348 11.167 7.577 1.00 0.00 H new ATOM 0 HA ALA A 12 3.697 13.297 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.338 14.723 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.349 13.485 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.820 13.272 8.574 1.00 0.00 H new ATOM 196 N ASP A 13 4.867 12.267 8.991 1.00 0.00 N ATOM 197 CA ASP A 13 5.942 12.438 9.960 1.00 0.00 C ATOM 198 C ASP A 13 7.191 11.673 9.532 1.00 0.00 C ATOM 199 O ASP A 13 8.303 11.999 9.948 1.00 0.00 O ATOM 200 CB ASP A 13 5.491 11.967 11.343 1.00 0.00 C ATOM 201 CG ASP A 13 4.874 13.084 12.161 1.00 0.00 C ATOM 202 OD1 ASP A 13 3.762 13.532 11.812 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.505 13.511 13.152 1.00 0.00 O ATOM 0 H ASP A 13 4.395 11.364 9.039 1.00 0.00 H new ATOM 0 HA ASP A 13 6.187 13.499 10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.767 11.160 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.346 11.556 11.880 1.00 0.00 H new ATOM 208 N GLY A 14 7.002 10.652 8.701 1.00 0.00 N ATOM 209 CA GLY A 14 8.124 9.859 8.238 1.00 0.00 C ATOM 210 C GLY A 14 8.436 8.703 9.169 1.00 0.00 C ATOM 211 O GLY A 14 9.541 8.161 9.146 1.00 0.00 O ATOM 0 H GLY A 14 6.093 10.361 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.906 9.472 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.003 10.497 8.147 1.00 0.00 H new ATOM 215 N ARG A 15 7.459 8.320 9.986 1.00 0.00 N ATOM 216 CA ARG A 15 7.645 7.212 10.923 1.00 0.00 C ATOM 217 C ARG A 15 7.667 5.882 10.176 1.00 0.00 C ATOM 218 O ARG A 15 8.241 4.901 10.649 1.00 0.00 O ATOM 219 CB ARG A 15 6.564 7.184 12.022 1.00 0.00 C ATOM 220 CG ARG A 15 5.489 8.255 11.898 1.00 0.00 C ATOM 221 CD ARG A 15 4.532 7.947 10.758 1.00 0.00 C ATOM 222 NE ARG A 15 3.141 7.892 11.206 1.00 0.00 N ATOM 223 CZ ARG A 15 2.585 6.828 11.783 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.293 5.725 11.984 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.315 6.870 12.161 1.00 0.00 N ATOM 0 H ARG A 15 6.537 8.755 10.020 1.00 0.00 H new ATOM 0 HA ARG A 15 8.605 7.368 11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.083 6.206 12.012 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.051 7.290 12.991 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.933 8.326 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.957 9.225 11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.633 8.708 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.804 6.994 10.304 1.00 0.00 H new ATOM 0 HE ARG A 15 2.561 8.719 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.271 5.687 11.696 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.860 4.914 12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.766 7.716 12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.887 6.056 12.603 1.00 0.00 H new ATOM 239 N ILE A 16 7.047 5.858 8.999 1.00 0.00 N ATOM 240 CA ILE A 16 7.008 4.652 8.180 1.00 0.00 C ATOM 241 C ILE A 16 7.028 5.013 6.699 1.00 0.00 C ATOM 242 O ILE A 16 6.656 6.121 6.318 1.00 0.00 O ATOM 243 CB ILE A 16 5.773 3.765 8.502 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.621 3.998 7.516 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.299 4.010 9.924 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.556 2.956 6.419 1.00 0.00 C ATOM 0 H ILE A 16 6.565 6.660 8.592 1.00 0.00 H new ATOM 0 HA ILE A 16 7.898 4.070 8.419 1.00 0.00 H new ATOM 0 HB ILE A 16 6.088 2.727 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.678 4.000 8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.731 4.984 7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.434 3.381 10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.101 3.767 10.622 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.022 5.058 10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.720 3.178 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.485 2.969 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.416 1.970 6.862 1.00 0.00 H new ATOM 258 N ARG A 17 7.468 4.078 5.871 1.00 0.00 N ATOM 259 CA ARG A 17 7.541 4.308 4.436 1.00 0.00 C ATOM 260 C ARG A 17 7.070 3.078 3.664 1.00 0.00 C ATOM 261 O ARG A 17 7.504 1.961 3.940 1.00 0.00 O ATOM 262 CB ARG A 17 8.978 4.692 4.050 1.00 0.00 C ATOM 263 CG ARG A 17 9.529 3.976 2.823 1.00 0.00 C ATOM 264 CD ARG A 17 11.029 4.177 2.697 1.00 0.00 C ATOM 265 NE ARG A 17 11.778 3.280 3.573 1.00 0.00 N ATOM 266 CZ ARG A 17 13.070 3.003 3.419 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.761 3.550 2.427 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.674 2.175 4.260 1.00 0.00 N ATOM 0 H ARG A 17 7.780 3.153 6.168 1.00 0.00 H new ATOM 0 HA ARG A 17 6.877 5.131 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.015 5.767 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.633 4.486 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.307 2.911 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.033 4.350 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.331 4.010 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.278 5.210 2.939 1.00 0.00 H new ATOM 0 HE ARG A 17 11.282 2.840 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.302 4.187 1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.751 3.333 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.148 1.751 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.665 1.962 4.143 1.00 0.00 H new ATOM 282 N GLN A 18 6.185 3.293 2.694 1.00 0.00 N ATOM 283 CA GLN A 18 5.664 2.199 1.882 1.00 0.00 C ATOM 284 C GLN A 18 6.009 2.406 0.413 1.00 0.00 C ATOM 285 O GLN A 18 5.537 3.350 -0.218 1.00 0.00 O ATOM 286 CB GLN A 18 4.150 2.080 2.062 1.00 0.00 C ATOM 287 CG GLN A 18 3.570 0.798 1.489 1.00 0.00 C ATOM 288 CD GLN A 18 2.175 0.989 0.925 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.183 0.622 1.553 1.00 0.00 O ATOM 290 NE2 GLN A 18 2.094 1.569 -0.267 1.00 0.00 N ATOM 0 H GLN A 18 5.815 4.212 2.452 1.00 0.00 H new ATOM 0 HA GLN A 18 6.130 1.272 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.913 2.133 3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.667 2.933 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.227 0.426 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.542 0.036 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.943 1.858 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.182 1.726 -0.697 1.00 0.00 H new ATOM 299 N GLU A 19 6.842 1.518 -0.126 1.00 0.00 N ATOM 300 CA GLU A 19 7.252 1.613 -1.520 1.00 0.00 C ATOM 301 C GLU A 19 6.380 0.758 -2.417 1.00 0.00 C ATOM 302 O GLU A 19 6.233 -0.445 -2.198 1.00 0.00 O ATOM 303 CB GLU A 19 8.709 1.179 -1.693 1.00 0.00 C ATOM 304 CG GLU A 19 9.192 1.212 -3.135 1.00 0.00 C ATOM 305 CD GLU A 19 10.663 0.867 -3.265 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.505 1.761 -3.038 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.971 -0.298 -3.594 1.00 0.00 O ATOM 0 H GLU A 19 7.243 0.729 0.381 1.00 0.00 H new ATOM 0 HA GLU A 19 7.143 2.658 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.346 1.828 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.826 0.168 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.604 0.511 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.017 2.205 -3.550 1.00 0.00 H new ATOM 314 N LEU A 20 5.844 1.376 -3.455 1.00 0.00 N ATOM 315 CA LEU A 20 5.038 0.656 -4.416 1.00 0.00 C ATOM 316 C LEU A 20 5.958 0.187 -5.532 1.00 0.00 C ATOM 317 O LEU A 20 6.564 0.988 -6.240 1.00 0.00 O ATOM 318 CB LEU A 20 3.886 1.525 -4.936 1.00 0.00 C ATOM 319 CG LEU A 20 2.736 1.738 -3.945 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.471 2.162 -4.667 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.476 0.486 -3.119 1.00 0.00 C ATOM 0 H LEU A 20 5.954 2.371 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 20 4.567 -0.209 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.285 2.499 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.486 1.068 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 20 3.034 2.537 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.670 2.307 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.652 3.096 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.181 1.389 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.655 0.671 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.213 -0.339 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.374 0.228 -2.557 1.00 0.00 H new ATOM 333 N LEU A 21 6.119 -1.121 -5.614 1.00 0.00 N ATOM 334 CA LEU A 21 7.030 -1.735 -6.565 1.00 0.00 C ATOM 335 C LEU A 21 6.617 -1.554 -8.017 1.00 0.00 C ATOM 336 O LEU A 21 5.446 -1.342 -8.329 1.00 0.00 O ATOM 337 CB LEU A 21 7.180 -3.218 -6.235 1.00 0.00 C ATOM 338 CG LEU A 21 8.453 -3.599 -5.455 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.194 -2.365 -4.943 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.104 -4.513 -4.296 1.00 0.00 C ATOM 0 H LEU A 21 5.622 -1.788 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 21 7.986 -1.222 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.312 -3.533 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.163 -3.783 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 21 9.116 -4.124 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.086 -2.676 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.484 -1.739 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.542 -1.799 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.012 -4.775 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.414 -4.002 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.634 -5.420 -4.677 1.00 0.00 H new ATOM 352 N PRO A 22 7.612 -1.649 -8.925 1.00 0.00 N ATOM 353 CA PRO A 22 7.406 -1.504 -10.371 1.00 0.00 C ATOM 354 C PRO A 22 6.504 -2.589 -10.942 1.00 0.00 C ATOM 355 O PRO A 22 5.970 -2.445 -12.042 1.00 0.00 O ATOM 356 CB PRO A 22 8.820 -1.620 -10.958 1.00 0.00 C ATOM 357 CG PRO A 22 9.739 -1.378 -9.810 1.00 0.00 C ATOM 358 CD PRO A 22 9.026 -1.913 -8.606 1.00 0.00 C ATOM 0 HA PRO A 22 6.909 -0.564 -10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.986 -2.605 -11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.979 -0.889 -11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.693 -1.884 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.955 -0.316 -9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.217 -2.976 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.337 -1.406 -7.692 1.00 0.00 H new ATOM 366 N ASN A 23 6.334 -3.673 -10.194 1.00 0.00 N ATOM 367 CA ASN A 23 5.492 -4.771 -10.642 1.00 0.00 C ATOM 368 C ASN A 23 4.087 -4.650 -10.061 1.00 0.00 C ATOM 369 O ASN A 23 3.365 -5.640 -9.949 1.00 0.00 O ATOM 370 CB ASN A 23 6.115 -6.110 -10.249 1.00 0.00 C ATOM 371 CG ASN A 23 6.218 -6.291 -8.748 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.861 -5.402 -7.976 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.710 -7.451 -8.328 1.00 0.00 N ATOM 0 H ASN A 23 6.766 -3.813 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 23 5.417 -4.723 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.518 -6.920 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.109 -6.186 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.804 -7.633 -7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.993 -8.160 -9.005 1.00 0.00 H new ATOM 380 N GLY A 24 3.706 -3.429 -9.694 1.00 0.00 N ATOM 381 CA GLY A 24 2.391 -3.203 -9.127 1.00 0.00 C ATOM 382 C GLY A 24 2.240 -3.850 -7.771 1.00 0.00 C ATOM 383 O GLY A 24 1.304 -4.613 -7.538 1.00 0.00 O ATOM 0 H GLY A 24 4.285 -2.594 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.214 -2.131 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.632 -3.597 -9.803 1.00 0.00 H new ATOM 387 N ARG A 25 3.174 -3.549 -6.876 1.00 0.00 N ATOM 388 CA ARG A 25 3.148 -4.117 -5.533 1.00 0.00 C ATOM 389 C ARG A 25 3.570 -3.095 -4.495 1.00 0.00 C ATOM 390 O ARG A 25 3.851 -1.947 -4.827 1.00 0.00 O ATOM 391 CB ARG A 25 4.044 -5.345 -5.467 1.00 0.00 C ATOM 392 CG ARG A 25 3.675 -6.381 -6.504 1.00 0.00 C ATOM 393 CD ARG A 25 2.331 -7.023 -6.185 1.00 0.00 C ATOM 394 NE ARG A 25 1.914 -7.967 -7.222 1.00 0.00 N ATOM 395 CZ ARG A 25 0.795 -7.852 -7.937 1.00 0.00 C ATOM 396 NH1 ARG A 25 -0.036 -6.835 -7.740 1.00 0.00 N ATOM 397 NH2 ARG A 25 0.504 -8.764 -8.855 1.00 0.00 N ATOM 0 H ARG A 25 3.955 -2.918 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 25 2.123 -4.414 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.081 -5.043 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.976 -5.788 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.634 -5.916 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.447 -7.149 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.395 -7.541 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.575 -6.246 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 25 2.520 -8.766 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.179 -6.130 -7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.889 -6.759 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.135 -9.550 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.351 -8.680 -9.404 1.00 0.00 H new ATOM 411 N TYR A 26 3.584 -3.505 -3.230 1.00 0.00 N ATOM 412 CA TYR A 26 3.940 -2.595 -2.152 1.00 0.00 C ATOM 413 C TYR A 26 4.866 -3.239 -1.125 1.00 0.00 C ATOM 414 O TYR A 26 4.810 -4.442 -0.877 1.00 0.00 O ATOM 415 CB TYR A 26 2.658 -2.076 -1.491 1.00 0.00 C ATOM 416 CG TYR A 26 2.209 -2.849 -0.278 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.914 -2.779 0.912 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.075 -3.640 -0.328 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.499 -3.478 2.028 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.649 -4.345 0.778 1.00 0.00 C ATOM 421 CZ TYR A 26 1.364 -4.263 1.956 1.00 0.00 C ATOM 422 OH TYR A 26 0.944 -4.963 3.065 1.00 0.00 O ATOM 0 H TYR A 26 3.355 -4.453 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 26 4.497 -1.761 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.811 -1.036 -1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.856 -2.089 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.803 -2.168 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.514 -3.706 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.057 -3.412 2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.239 -4.958 0.723 1.00 0.00 H new ATOM 0 HH TYR A 26 0.122 -5.452 2.851 1.00 0.00 H new ATOM 432 N ASP A 27 5.709 -2.402 -0.526 1.00 0.00 N ATOM 433 CA ASP A 27 6.657 -2.833 0.494 1.00 0.00 C ATOM 434 C ASP A 27 6.867 -1.706 1.499 1.00 0.00 C ATOM 435 O ASP A 27 7.407 -0.657 1.155 1.00 0.00 O ATOM 436 CB ASP A 27 7.992 -3.214 -0.147 1.00 0.00 C ATOM 437 CG ASP A 27 8.267 -4.703 -0.072 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.746 -5.445 -0.930 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.004 -5.126 0.844 1.00 0.00 O ATOM 0 H ASP A 27 5.753 -1.405 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 27 6.256 -3.708 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.993 -2.900 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.798 -2.673 0.350 1.00 0.00 H new ATOM 444 N GLU A 28 6.419 -1.909 2.732 1.00 0.00 N ATOM 445 CA GLU A 28 6.552 -0.879 3.753 1.00 0.00 C ATOM 446 C GLU A 28 7.662 -1.195 4.749 1.00 0.00 C ATOM 447 O GLU A 28 7.764 -2.310 5.260 1.00 0.00 O ATOM 448 CB GLU A 28 5.203 -0.670 4.464 1.00 0.00 C ATOM 449 CG GLU A 28 5.307 -0.343 5.949 1.00 0.00 C ATOM 450 CD GLU A 28 3.970 -0.436 6.659 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.099 0.420 6.399 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.793 -1.367 7.473 1.00 0.00 O ATOM 0 H GLU A 28 5.966 -2.767 3.046 1.00 0.00 H new ATOM 0 HA GLU A 28 6.838 0.050 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.667 0.137 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.603 -1.572 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.013 -1.027 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.709 0.663 6.069 1.00 0.00 H new ATOM 459 N ALA A 29 8.478 -0.181 5.026 1.00 0.00 N ATOM 460 CA ALA A 29 9.578 -0.308 5.970 1.00 0.00 C ATOM 461 C ALA A 29 9.371 0.644 7.142 1.00 0.00 C ATOM 462 O ALA A 29 9.549 1.855 7.011 1.00 0.00 O ATOM 463 CB ALA A 29 10.901 -0.017 5.278 1.00 0.00 C ATOM 0 H ALA A 29 8.394 0.744 4.604 1.00 0.00 H new ATOM 0 HA ALA A 29 9.603 -1.330 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.716 -0.115 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.048 -0.725 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.888 0.998 4.880 1.00 0.00 H new ATOM 469 N ARG A 30 8.982 0.091 8.285 1.00 0.00 N ATOM 470 CA ARG A 30 8.737 0.897 9.477 1.00 0.00 C ATOM 471 C ARG A 30 9.889 0.783 10.471 1.00 0.00 C ATOM 472 O ARG A 30 10.133 -0.283 11.036 1.00 0.00 O ATOM 473 CB ARG A 30 7.427 0.467 10.138 1.00 0.00 C ATOM 474 CG ARG A 30 6.308 0.198 9.144 1.00 0.00 C ATOM 475 CD ARG A 30 4.947 0.539 9.725 1.00 0.00 C ATOM 476 NE ARG A 30 4.777 0.011 11.076 1.00 0.00 N ATOM 477 CZ ARG A 30 4.612 -1.282 11.351 1.00 0.00 C ATOM 478 NH1 ARG A 30 4.593 -2.178 10.372 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.466 -1.678 12.608 1.00 0.00 N ATOM 0 H ARG A 30 8.830 -0.909 8.412 1.00 0.00 H new ATOM 0 HA ARG A 30 8.661 1.940 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.604 -0.433 10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.107 1.244 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.475 0.784 8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.326 -0.852 8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.821 1.622 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.167 0.137 9.079 1.00 0.00 H new ATOM 0 HE ARG A 30 4.785 0.670 11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.705 -1.878 9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.466 -3.167 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.480 -0.993 13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.340 -2.668 12.819 1.00 0.00 H new ATOM 571 N ALA A 36 8.344 -4.905 6.922 1.00 0.00 N ATOM 572 CA ALA A 36 7.372 -5.356 7.910 1.00 0.00 C ATOM 573 C ALA A 36 6.188 -6.040 7.240 1.00 0.00 C ATOM 574 O ALA A 36 5.720 -7.084 7.692 1.00 0.00 O ATOM 575 CB ALA A 36 6.899 -4.178 8.748 1.00 0.00 C ATOM 0 HA ALA A 36 7.856 -6.084 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.173 -4.523 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.751 -3.731 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.434 -3.434 8.101 1.00 0.00 H new ATOM 581 N TYR A 37 5.708 -5.438 6.157 1.00 0.00 N ATOM 582 CA TYR A 37 4.577 -5.979 5.416 1.00 0.00 C ATOM 583 C TYR A 37 4.646 -5.604 3.939 1.00 0.00 C ATOM 584 O TYR A 37 5.015 -4.483 3.586 1.00 0.00 O ATOM 585 CB TYR A 37 3.263 -5.480 6.017 1.00 0.00 C ATOM 586 CG TYR A 37 2.407 -6.587 6.577 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.730 -7.188 7.784 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.284 -7.036 5.897 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.956 -8.209 8.302 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.502 -8.056 6.405 1.00 0.00 C ATOM 591 CZ TYR A 37 0.842 -8.640 7.607 1.00 0.00 C ATOM 592 OH TYR A 37 0.068 -9.656 8.118 1.00 0.00 O ATOM 0 H TYR A 37 6.087 -4.572 5.773 1.00 0.00 H new ATOM 0 HA TYR A 37 4.620 -7.065 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.482 -4.763 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.700 -4.947 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.601 -6.853 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.016 -6.581 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.220 -8.667 9.244 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.370 -8.393 5.864 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.724 -9.277 8.554 1.00 0.00 H new ATOM 602 N GLN A 38 4.276 -6.550 3.088 1.00 0.00 N ATOM 603 CA GLN A 38 4.273 -6.342 1.644 1.00 0.00 C ATOM 604 C GLN A 38 3.234 -7.243 0.995 1.00 0.00 C ATOM 605 O GLN A 38 2.948 -8.329 1.497 1.00 0.00 O ATOM 606 CB GLN A 38 5.652 -6.623 1.031 1.00 0.00 C ATOM 607 CG GLN A 38 6.764 -6.838 2.051 1.00 0.00 C ATOM 608 CD GLN A 38 6.605 -8.133 2.823 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.011 -9.095 2.333 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.138 -8.166 4.040 1.00 0.00 N ATOM 0 H GLN A 38 3.970 -7.480 3.375 1.00 0.00 H new ATOM 0 HA GLN A 38 4.026 -5.297 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.581 -7.507 0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.925 -5.789 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.726 -6.841 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.777 -6.002 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.622 -7.346 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.064 -9.011 4.607 1.00 0.00 H new ATOM 619 N GLY A 39 2.664 -6.794 -0.117 1.00 0.00 N ATOM 620 CA GLY A 39 1.662 -7.598 -0.789 1.00 0.00 C ATOM 621 C GLY A 39 1.304 -7.075 -2.161 1.00 0.00 C ATOM 622 O GLY A 39 2.167 -6.940 -3.029 1.00 0.00 O ATOM 0 H GLY A 39 2.874 -5.900 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.027 -8.621 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.762 -7.635 -0.175 1.00 0.00 H new ATOM 626 N ARG A 40 0.026 -6.781 -2.356 1.00 0.00 N ATOM 627 CA ARG A 40 -0.455 -6.270 -3.626 1.00 0.00 C ATOM 628 C ARG A 40 -1.713 -5.452 -3.402 1.00 0.00 C ATOM 629 O ARG A 40 -2.335 -5.540 -2.343 1.00 0.00 O ATOM 630 CB ARG A 40 -0.733 -7.423 -4.593 1.00 0.00 C ATOM 631 CG ARG A 40 -1.918 -8.287 -4.191 1.00 0.00 C ATOM 632 CD ARG A 40 -1.632 -9.765 -4.406 1.00 0.00 C ATOM 633 NE ARG A 40 -2.243 -10.268 -5.634 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.164 -11.534 -6.037 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.501 -12.429 -5.312 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.750 -11.908 -7.165 1.00 0.00 N ATOM 0 H ARG A 40 -0.697 -6.889 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 40 0.311 -5.632 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.913 -7.016 -5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.156 -8.050 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.158 -8.111 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.794 -7.997 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.554 -9.924 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.007 -10.334 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.761 -9.610 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.050 -12.147 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.444 -13.398 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.262 -11.226 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.689 -12.878 -7.474 1.00 0.00 H new ATOM 650 N TYR A 41 -2.087 -4.654 -4.387 1.00 0.00 N ATOM 651 CA TYR A 41 -3.273 -3.826 -4.253 1.00 0.00 C ATOM 652 C TYR A 41 -4.101 -3.801 -5.524 1.00 0.00 C ATOM 653 O TYR A 41 -3.590 -3.986 -6.629 1.00 0.00 O ATOM 654 CB TYR A 41 -2.888 -2.400 -3.877 1.00 0.00 C ATOM 655 CG TYR A 41 -1.667 -1.890 -4.606 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.398 -2.088 -4.085 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.786 -1.213 -5.815 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.721 -1.625 -4.747 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.670 -0.747 -6.482 1.00 0.00 C ATOM 660 CZ TYR A 41 0.581 -0.956 -5.944 1.00 0.00 C ATOM 661 OH TYR A 41 1.696 -0.494 -6.604 1.00 0.00 O ATOM 0 H TYR A 41 -1.595 -4.562 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.879 -4.268 -3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.729 -1.739 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.706 -2.353 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.283 -2.612 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.766 -1.049 -6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.703 -1.786 -4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.777 -0.222 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 41 2.502 -0.841 -6.167 1.00 0.00 H new ATOM 671 N GLU A 42 -5.384 -3.529 -5.344 1.00 0.00 N ATOM 672 CA GLU A 42 -6.316 -3.426 -6.457 1.00 0.00 C ATOM 673 C GLU A 42 -6.920 -2.030 -6.466 1.00 0.00 C ATOM 674 O GLU A 42 -7.423 -1.564 -5.450 1.00 0.00 O ATOM 675 CB GLU A 42 -7.417 -4.484 -6.336 1.00 0.00 C ATOM 676 CG GLU A 42 -7.681 -5.237 -7.628 1.00 0.00 C ATOM 677 CD GLU A 42 -9.160 -5.436 -7.897 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.879 -4.425 -8.043 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.600 -6.603 -7.961 1.00 0.00 O ATOM 0 H GLU A 42 -5.807 -3.374 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.785 -3.601 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.140 -5.197 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.339 -4.001 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.235 -4.691 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.190 -6.209 -7.584 1.00 0.00 H new ATOM 686 N VAL A 43 -6.846 -1.355 -7.604 1.00 0.00 N ATOM 687 CA VAL A 43 -7.364 0.003 -7.712 1.00 0.00 C ATOM 688 C VAL A 43 -8.686 0.055 -8.472 1.00 0.00 C ATOM 689 O VAL A 43 -8.816 -0.508 -9.560 1.00 0.00 O ATOM 690 CB VAL A 43 -6.334 0.930 -8.389 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.919 2.313 -8.643 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.074 1.025 -7.538 1.00 0.00 C ATOM 0 H VAL A 43 -6.435 -1.722 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.549 0.352 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.072 0.500 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.169 2.943 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.789 2.226 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.219 2.761 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.354 1.682 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.327 1.428 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.638 0.033 -7.421 1.00 0.00 H new ATOM 702 N ARG A 44 -9.659 0.743 -7.883 1.00 0.00 N ATOM 703 CA ARG A 44 -10.978 0.889 -8.488 1.00 0.00 C ATOM 704 C ARG A 44 -11.532 2.291 -8.248 1.00 0.00 C ATOM 705 O ARG A 44 -12.076 2.578 -7.181 1.00 0.00 O ATOM 706 CB ARG A 44 -11.941 -0.151 -7.913 1.00 0.00 C ATOM 707 CG ARG A 44 -13.094 -0.494 -8.843 1.00 0.00 C ATOM 708 CD ARG A 44 -14.412 -0.581 -8.090 1.00 0.00 C ATOM 709 NE ARG A 44 -15.380 -1.431 -8.780 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.691 -1.402 -8.545 1.00 0.00 C ATOM 711 NH1 ARG A 44 -17.193 -0.569 -7.642 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.502 -2.210 -9.215 1.00 0.00 N ATOM 0 H ARG A 44 -9.557 1.211 -6.982 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.878 0.732 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.386 -1.061 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.344 0.221 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.170 0.262 -9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.893 -1.444 -9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.233 -0.974 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.828 0.419 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.032 -2.084 -9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.574 0.054 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.198 -0.552 -7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.122 -2.853 -9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.506 -2.188 -9.036 1.00 0.00 H new ATOM 726 N GLY A 45 -11.387 3.164 -9.241 1.00 0.00 N ATOM 727 CA GLY A 45 -11.878 4.524 -9.108 1.00 0.00 C ATOM 728 C GLY A 45 -11.235 5.257 -7.946 1.00 0.00 C ATOM 729 O GLY A 45 -11.915 5.942 -7.183 1.00 0.00 O ATOM 0 H GLY A 45 -10.939 2.954 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.684 5.070 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.959 4.506 -8.970 1.00 0.00 H new ATOM 733 N ALA A 46 -9.917 5.102 -7.808 1.00 0.00 N ATOM 734 CA ALA A 46 -9.160 5.741 -6.730 1.00 0.00 C ATOM 735 C ALA A 46 -9.252 4.942 -5.429 1.00 0.00 C ATOM 736 O ALA A 46 -8.555 5.245 -4.461 1.00 0.00 O ATOM 737 CB ALA A 46 -9.619 7.175 -6.509 1.00 0.00 C ATOM 0 H ALA A 46 -9.348 4.534 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.115 5.761 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.038 7.623 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.472 7.749 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.676 7.182 -6.242 1.00 0.00 H new ATOM 743 N HIS A 47 -10.098 3.914 -5.413 1.00 0.00 N ATOM 744 CA HIS A 47 -10.250 3.073 -4.233 1.00 0.00 C ATOM 745 C HIS A 47 -9.329 1.869 -4.349 1.00 0.00 C ATOM 746 O HIS A 47 -9.369 1.147 -5.345 1.00 0.00 O ATOM 747 CB HIS A 47 -11.703 2.618 -4.082 1.00 0.00 C ATOM 748 CG HIS A 47 -12.402 3.228 -2.907 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.520 4.590 -2.724 1.00 0.00 N ATOM 750 CD2 HIS A 47 -13.024 2.655 -1.848 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.184 4.828 -1.605 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.501 3.668 -1.056 1.00 0.00 N ATOM 0 H HIS A 47 -10.686 3.646 -6.202 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.981 3.649 -3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.250 2.869 -4.991 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.727 1.533 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.125 1.596 -1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.426 5.803 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.017 3.546 -0.185 1.00 0.00 H new ATOM 761 N ILE A 48 -8.484 1.661 -3.346 1.00 0.00 N ATOM 762 CA ILE A 48 -7.548 0.545 -3.383 1.00 0.00 C ATOM 763 C ILE A 48 -7.496 -0.204 -2.060 1.00 0.00 C ATOM 764 O ILE A 48 -7.654 0.380 -0.991 1.00 0.00 O ATOM 765 CB ILE A 48 -6.121 1.018 -3.778 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.027 0.125 -3.155 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.907 2.476 -3.391 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.568 0.565 -1.776 1.00 0.00 C ATOM 0 H ILE A 48 -8.428 2.241 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.916 -0.142 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.039 0.930 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.402 -0.897 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.166 0.107 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.902 2.785 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.638 3.100 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.028 2.588 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.799 -0.117 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.160 1.574 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.415 0.555 -1.090 1.00 0.00 H new ATOM 780 N ASN A 49 -7.244 -1.503 -2.156 1.00 0.00 N ATOM 781 CA ASN A 49 -7.134 -2.357 -0.984 1.00 0.00 C ATOM 782 C ASN A 49 -5.896 -3.242 -1.101 1.00 0.00 C ATOM 783 O ASN A 49 -5.536 -3.678 -2.193 1.00 0.00 O ATOM 784 CB ASN A 49 -8.386 -3.225 -0.813 1.00 0.00 C ATOM 785 CG ASN A 49 -9.561 -2.747 -1.645 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.062 -3.468 -2.509 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.009 -1.523 -1.388 1.00 0.00 N ATOM 0 H ASN A 49 -7.111 -1.990 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.041 -1.720 -0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.148 -4.253 -1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.673 -3.234 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.797 -1.147 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.565 -0.959 -0.663 1.00 0.00 H new ATOM 794 N TYR A 50 -5.249 -3.495 0.028 1.00 0.00 N ATOM 795 CA TYR A 50 -4.052 -4.320 0.066 1.00 0.00 C ATOM 796 C TYR A 50 -4.401 -5.723 0.528 1.00 0.00 C ATOM 797 O TYR A 50 -4.812 -5.914 1.668 1.00 0.00 O ATOM 798 CB TYR A 50 -3.035 -3.720 1.042 1.00 0.00 C ATOM 799 CG TYR A 50 -2.422 -2.412 0.593 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.685 -2.328 -0.581 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.576 -1.257 1.353 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.119 -1.132 -0.985 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.015 -0.059 0.955 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.289 -0.002 -0.213 1.00 0.00 C ATOM 805 OH TYR A 50 -0.728 1.189 -0.614 1.00 0.00 O ATOM 0 H TYR A 50 -5.538 -3.136 0.938 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.626 -4.358 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.523 -3.565 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.236 -4.444 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.551 -3.211 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.144 -1.298 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.547 -1.084 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.145 0.828 1.557 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.941 1.887 0.039 1.00 0.00 H new ATOM 815 N TRP A 51 -4.227 -6.704 -0.344 1.00 0.00 N ATOM 816 CA TRP A 51 -4.518 -8.084 0.018 1.00 0.00 C ATOM 817 C TRP A 51 -3.220 -8.872 0.149 1.00 0.00 C ATOM 818 O TRP A 51 -2.721 -9.434 -0.826 1.00 0.00 O ATOM 819 CB TRP A 51 -5.445 -8.732 -1.013 1.00 0.00 C ATOM 820 CG TRP A 51 -5.641 -10.204 -0.804 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.254 -10.806 0.257 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.218 -11.258 -1.676 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.240 -12.171 0.097 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.609 -12.474 -1.081 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.547 -11.295 -2.902 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.353 -13.708 -1.671 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.293 -12.521 -3.487 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.696 -13.714 -2.870 1.00 0.00 C ATOM 0 H TRP A 51 -3.889 -6.574 -1.298 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.031 -8.092 0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.415 -8.236 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.037 -8.566 -2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.687 -10.286 1.099 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.635 -12.848 0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.233 -10.381 -3.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.662 -14.629 -1.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.776 -12.561 -4.434 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.483 -14.657 -3.352 1.00 0.00 H new ATOM 839 N ASP A 52 -2.672 -8.890 1.357 1.00 0.00 N ATOM 840 CA ASP A 52 -1.418 -9.590 1.617 1.00 0.00 C ATOM 841 C ASP A 52 -1.576 -11.097 1.474 1.00 0.00 C ATOM 842 O ASP A 52 -2.679 -11.634 1.567 1.00 0.00 O ATOM 843 CB ASP A 52 -0.898 -9.266 3.018 1.00 0.00 C ATOM 844 CG ASP A 52 -0.131 -7.960 3.060 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.761 -6.895 2.883 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.100 -8.001 3.265 1.00 0.00 O ATOM 0 H ASP A 52 -3.075 -8.429 2.173 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.699 -9.245 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.737 -9.214 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.252 -10.075 3.359 1.00 0.00 H new ATOM 851 N ASP A 53 -0.453 -11.771 1.254 1.00 0.00 N ATOM 852 CA ASP A 53 -0.443 -13.220 1.105 1.00 0.00 C ATOM 853 C ASP A 53 -0.372 -13.914 2.464 1.00 0.00 C ATOM 854 O ASP A 53 -0.581 -15.123 2.560 1.00 0.00 O ATOM 855 CB ASP A 53 0.740 -13.653 0.237 1.00 0.00 C ATOM 856 CG ASP A 53 2.069 -13.178 0.791 1.00 0.00 C ATOM 857 OD1 ASP A 53 2.128 -12.037 1.294 1.00 0.00 O ATOM 858 OD2 ASP A 53 3.049 -13.948 0.724 1.00 0.00 O ATOM 0 H ASP A 53 0.465 -11.334 1.175 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.373 -13.515 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.750 -14.740 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.609 -13.261 -0.772 1.00 0.00 H new ATOM 863 N THR A 54 -0.070 -13.150 3.515 1.00 0.00 N ATOM 864 CA THR A 54 0.031 -13.713 4.859 1.00 0.00 C ATOM 865 C THR A 54 -1.300 -13.638 5.605 1.00 0.00 C ATOM 866 O THR A 54 -1.334 -13.651 6.836 1.00 0.00 O ATOM 867 CB THR A 54 1.128 -13.008 5.658 1.00 0.00 C ATOM 868 OG1 THR A 54 1.349 -13.665 6.893 1.00 0.00 O ATOM 869 CG2 THR A 54 0.816 -11.559 5.961 1.00 0.00 C ATOM 0 H THR A 54 0.107 -12.147 3.461 1.00 0.00 H new ATOM 0 HA THR A 54 0.293 -14.766 4.752 1.00 0.00 H new ATOM 0 HB THR A 54 2.014 -13.046 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.491 -13.817 7.341 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.636 -11.121 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.689 -11.011 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.103 -11.499 6.545 1.00 0.00 H new ATOM 877 N GLY A 55 -2.390 -13.594 4.852 1.00 0.00 N ATOM 878 CA GLY A 55 -3.713 -13.557 5.451 1.00 0.00 C ATOM 879 C GLY A 55 -4.132 -12.192 5.973 1.00 0.00 C ATOM 880 O GLY A 55 -4.977 -12.110 6.864 1.00 0.00 O ATOM 0 H GLY A 55 -2.383 -13.583 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.442 -13.888 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.746 -14.272 6.273 1.00 0.00 H new ATOM 884 N PHE A 56 -3.572 -11.113 5.425 1.00 0.00 N ATOM 885 CA PHE A 56 -3.942 -9.779 5.860 1.00 0.00 C ATOM 886 C PHE A 56 -4.550 -9.007 4.704 1.00 0.00 C ATOM 887 O PHE A 56 -4.384 -9.374 3.539 1.00 0.00 O ATOM 888 CB PHE A 56 -2.716 -9.035 6.423 1.00 0.00 C ATOM 889 CG PHE A 56 -2.694 -7.547 6.153 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.632 -7.056 4.856 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.746 -6.642 7.201 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.622 -5.694 4.610 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.734 -5.279 6.963 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.674 -4.805 5.666 1.00 0.00 C ATOM 0 H PHE A 56 -2.868 -11.142 4.687 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.684 -9.862 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.676 -9.194 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.814 -9.479 6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.591 -7.747 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.797 -7.005 8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.574 -5.327 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.771 -4.586 7.790 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.668 -3.741 5.479 1.00 0.00 H new ATOM 904 N THR A 57 -5.218 -7.918 5.031 1.00 0.00 N ATOM 905 CA THR A 57 -5.817 -7.065 4.020 1.00 0.00 C ATOM 906 C THR A 57 -6.113 -5.682 4.580 1.00 0.00 C ATOM 907 O THR A 57 -6.510 -5.539 5.737 1.00 0.00 O ATOM 908 CB THR A 57 -7.088 -7.682 3.420 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.237 -6.934 3.781 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.338 -9.121 3.826 1.00 0.00 C ATOM 0 H THR A 57 -5.360 -7.602 5.990 1.00 0.00 H new ATOM 0 HA THR A 57 -5.088 -6.969 3.215 1.00 0.00 H new ATOM 0 HB THR A 57 -6.914 -7.659 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.033 -7.346 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.255 -9.477 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.501 -9.741 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.437 -9.181 4.910 1.00 0.00 H new ATOM 918 N ALA A 58 -5.912 -4.664 3.752 1.00 0.00 N ATOM 919 CA ALA A 58 -6.157 -3.284 4.172 1.00 0.00 C ATOM 920 C ALA A 58 -6.751 -2.452 3.040 1.00 0.00 C ATOM 921 O ALA A 58 -6.155 -2.320 1.977 1.00 0.00 O ATOM 922 CB ALA A 58 -4.867 -2.652 4.672 1.00 0.00 C ATOM 0 H ALA A 58 -5.582 -4.763 2.792 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.883 -3.305 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.061 -1.625 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.488 -3.222 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.126 -2.656 3.872 1.00 0.00 H new ATOM 928 N ASP A 59 -7.929 -1.885 3.279 1.00 0.00 N ATOM 929 CA ASP A 59 -8.596 -1.067 2.271 1.00 0.00 C ATOM 930 C ASP A 59 -8.199 0.402 2.392 1.00 0.00 C ATOM 931 O ASP A 59 -7.799 0.864 3.460 1.00 0.00 O ATOM 932 CB ASP A 59 -10.115 -1.208 2.396 1.00 0.00 C ATOM 933 CG ASP A 59 -10.604 -0.972 3.811 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.222 -1.753 4.708 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.366 -0.006 4.024 1.00 0.00 O ATOM 0 H ASP A 59 -8.440 -1.976 4.157 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.279 -1.423 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.599 -0.499 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.412 -2.206 2.074 1.00 0.00 H new ATOM 940 N GLY A 60 -8.319 1.128 1.283 1.00 0.00 N ATOM 941 CA GLY A 60 -7.975 2.537 1.269 1.00 0.00 C ATOM 942 C GLY A 60 -8.555 3.254 0.063 1.00 0.00 C ATOM 943 O GLY A 60 -9.364 2.686 -0.669 1.00 0.00 O ATOM 0 H GLY A 60 -8.650 0.762 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.341 3.008 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.890 2.645 1.268 1.00 0.00 H new ATOM 947 N ASP A 61 -8.143 4.500 -0.146 1.00 0.00 N ATOM 948 CA ASP A 61 -8.635 5.283 -1.275 1.00 0.00 C ATOM 949 C ASP A 61 -7.814 6.554 -1.465 1.00 0.00 C ATOM 950 O ASP A 61 -7.536 7.276 -0.508 1.00 0.00 O ATOM 951 CB ASP A 61 -10.107 5.644 -1.067 1.00 0.00 C ATOM 952 CG ASP A 61 -10.383 6.175 0.326 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.425 6.612 0.996 1.00 0.00 O ATOM 954 OD2 ASP A 61 -11.559 6.152 0.748 1.00 0.00 O ATOM 0 H ASP A 61 -7.473 4.988 0.448 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.536 4.673 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.402 6.392 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.723 4.762 -1.245 1.00 0.00 H new ATOM 959 N PHE A 62 -7.436 6.824 -2.711 1.00 0.00 N ATOM 960 CA PHE A 62 -6.655 8.012 -3.030 1.00 0.00 C ATOM 961 C PHE A 62 -7.515 9.263 -2.937 1.00 0.00 C ATOM 962 O PHE A 62 -8.404 9.486 -3.760 1.00 0.00 O ATOM 963 CB PHE A 62 -6.058 7.912 -4.437 1.00 0.00 C ATOM 964 CG PHE A 62 -5.268 6.658 -4.709 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.755 5.886 -3.673 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.031 6.256 -6.014 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.027 4.743 -3.940 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.303 5.114 -6.283 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.801 4.357 -5.245 1.00 0.00 C ATOM 0 H PHE A 62 -7.658 6.236 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.845 8.078 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.868 7.977 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.411 8.773 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.927 6.183 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.421 6.844 -6.832 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.634 4.151 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.127 4.814 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.232 3.463 -5.454 1.00 0.00 H new ATOM 979 N VAL A 63 -7.237 10.078 -1.933 1.00 0.00 N ATOM 980 CA VAL A 63 -7.978 11.319 -1.725 1.00 0.00 C ATOM 981 C VAL A 63 -7.437 12.439 -2.610 1.00 0.00 C ATOM 982 O VAL A 63 -8.116 13.441 -2.838 1.00 0.00 O ATOM 983 CB VAL A 63 -7.932 11.779 -0.255 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.953 11.019 0.576 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.532 11.617 0.321 1.00 0.00 C ATOM 0 H VAL A 63 -6.503 9.905 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.013 11.107 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.187 12.838 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.905 11.358 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.952 11.201 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.735 9.952 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.525 11.948 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.238 10.569 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.829 12.218 -0.256 1.00 0.00 H new ATOM 995 N SER A 64 -6.216 12.267 -3.107 1.00 0.00 N ATOM 996 CA SER A 64 -5.594 13.269 -3.963 1.00 0.00 C ATOM 997 C SER A 64 -4.642 12.616 -4.959 1.00 0.00 C ATOM 998 O SER A 64 -4.620 11.395 -5.105 1.00 0.00 O ATOM 999 CB SER A 64 -4.841 14.297 -3.116 1.00 0.00 C ATOM 1000 OG SER A 64 -4.969 15.599 -3.662 1.00 0.00 O ATOM 0 H SER A 64 -5.639 11.444 -2.932 1.00 0.00 H new ATOM 0 HA SER A 64 -6.382 13.776 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.228 14.287 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.787 14.025 -3.060 1.00 0.00 H new ATOM 0 HG SER A 64 -4.481 16.238 -3.102 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.855 13.440 -5.644 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.901 12.943 -6.626 1.00 0.00 C ATOM 1008 C ALA A 65 -1.613 12.472 -5.956 1.00 0.00 C ATOM 1009 O ALA A 65 -0.923 11.591 -6.468 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.596 14.021 -7.657 1.00 0.00 C ATOM 0 H ALA A 65 -3.860 14.454 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.351 12.087 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.882 13.636 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.516 14.307 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.172 14.892 -7.158 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.294 13.066 -4.809 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.087 12.706 -4.073 1.00 0.00 C ATOM 1018 C ASN A 66 -0.412 12.243 -2.652 1.00 0.00 C ATOM 1019 O ASN A 66 0.489 11.893 -1.889 1.00 0.00 O ATOM 1020 CB ASN A 66 0.878 13.894 -4.025 1.00 0.00 C ATOM 1021 CG ASN A 66 1.995 13.792 -5.052 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.101 14.281 -4.826 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.717 13.157 -6.190 1.00 0.00 N ATOM 0 H ASN A 66 -1.854 13.797 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 66 0.385 11.876 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.320 14.815 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.313 13.962 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.433 13.063 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.788 12.764 -6.341 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.696 12.238 -2.297 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.113 11.811 -0.965 1.00 0.00 C ATOM 1032 C GLU A 67 -2.782 10.443 -1.022 1.00 0.00 C ATOM 1033 O GLU A 67 -3.444 10.103 -2.002 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.065 12.837 -0.349 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.818 13.083 1.130 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.609 14.260 1.666 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.962 15.152 0.866 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.876 14.290 2.886 1.00 0.00 O ATOM 0 H GLU A 67 -2.460 12.523 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.224 11.736 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.968 13.780 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.091 12.496 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.081 12.187 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.755 13.260 1.292 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.597 9.660 0.033 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.171 8.323 0.108 1.00 0.00 C ATOM 1047 C LEU A 68 -3.885 8.127 1.437 1.00 0.00 C ATOM 1048 O LEU A 68 -3.416 8.586 2.479 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.057 7.279 -0.090 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.296 5.860 0.461 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.569 5.849 1.956 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.426 5.184 -0.293 1.00 0.00 C ATOM 0 H LEU A 68 -2.052 9.929 0.852 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.910 8.197 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.863 7.195 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.148 7.668 0.369 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.374 5.299 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.730 4.824 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.715 6.273 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.458 6.443 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.583 4.183 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.340 5.768 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.168 5.116 -1.350 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.011 7.429 1.398 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.778 7.156 2.607 1.00 0.00 C ATOM 1066 C HIS A 69 -6.037 5.664 2.756 1.00 0.00 C ATOM 1067 O HIS A 69 -6.843 5.089 2.024 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.107 7.908 2.589 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.052 9.253 3.243 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.176 9.927 3.673 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -6.001 10.053 3.545 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.820 11.080 4.207 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.506 11.181 4.143 1.00 0.00 N ATOM 0 H HIS A 69 -5.414 7.042 0.545 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.190 7.500 3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.430 8.031 1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.863 7.302 3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.960 9.842 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.490 11.816 4.625 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.955 11.969 4.483 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.358 5.042 3.709 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.531 3.613 3.952 1.00 0.00 C ATOM 1084 C HIS A 70 -5.443 3.305 5.443 1.00 0.00 C ATOM 1085 O HIS A 70 -4.568 3.816 6.142 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.494 2.803 3.158 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.307 2.358 3.957 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.155 1.070 4.427 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.212 3.037 4.365 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -2.018 0.979 5.092 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.425 2.158 5.068 1.00 0.00 N ATOM 0 H HIS A 70 -4.685 5.499 4.325 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.524 3.322 3.608 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.983 1.924 2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.146 3.406 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.996 4.078 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.638 0.090 5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.529 2.380 5.501 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.362 2.475 5.925 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.374 2.125 7.334 1.00 0.00 C ATOM 1102 C GLY A 71 -6.499 3.347 8.223 1.00 0.00 C ATOM 1103 O GLY A 71 -6.137 3.308 9.398 1.00 0.00 O ATOM 0 H GLY A 71 -7.097 2.039 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.204 1.447 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.458 1.589 7.582 1.00 0.00 H new ATOM 1107 N GLY A 72 -7.011 4.437 7.656 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.173 5.662 8.413 1.00 0.00 C ATOM 1109 C GLY A 72 -5.880 6.445 8.533 1.00 0.00 C ATOM 1110 O GLY A 72 -5.711 7.234 9.462 1.00 0.00 O ATOM 0 H GLY A 72 -7.316 4.491 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.928 6.285 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.543 5.423 9.410 1.00 0.00 H new ATOM 1114 N MET A 73 -4.960 6.225 7.595 1.00 0.00 N ATOM 1115 CA MET A 73 -3.680 6.912 7.610 1.00 0.00 C ATOM 1116 C MET A 73 -3.542 7.833 6.405 1.00 0.00 C ATOM 1117 O MET A 73 -4.287 7.716 5.433 1.00 0.00 O ATOM 1118 CB MET A 73 -2.545 5.890 7.609 1.00 0.00 C ATOM 1119 CG MET A 73 -1.937 5.660 8.980 1.00 0.00 C ATOM 1120 SD MET A 73 -2.741 4.322 9.882 1.00 0.00 S ATOM 1121 CE MET A 73 -1.820 2.908 9.282 1.00 0.00 C ATOM 0 H MET A 73 -5.082 5.576 6.818 1.00 0.00 H new ATOM 0 HA MET A 73 -3.627 7.518 8.515 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.920 4.942 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.765 6.226 6.926 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.877 5.432 8.869 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.007 6.579 9.563 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.201 2.000 9.750 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.932 2.833 8.200 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.766 3.029 9.530 1.00 0.00 H new ATOM 1131 N THR A 74 -2.571 8.733 6.469 1.00 0.00 N ATOM 1132 CA THR A 74 -2.318 9.660 5.377 1.00 0.00 C ATOM 1133 C THR A 74 -0.918 9.442 4.824 1.00 0.00 C ATOM 1134 O THR A 74 0.077 9.781 5.464 1.00 0.00 O ATOM 1135 CB THR A 74 -2.477 11.107 5.842 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.606 11.240 6.689 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.641 12.086 4.700 1.00 0.00 C ATOM 0 H THR A 74 -1.945 8.840 7.267 1.00 0.00 H new ATOM 0 HA THR A 74 -3.049 9.471 4.591 1.00 0.00 H new ATOM 0 HB THR A 74 -1.555 11.344 6.373 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.690 12.173 6.978 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.749 13.095 5.098 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.764 12.043 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.529 11.827 4.123 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.848 8.858 3.635 1.00 0.00 N ATOM 1146 CA PHE A 75 0.430 8.574 2.997 1.00 0.00 C ATOM 1147 C PHE A 75 0.659 9.476 1.790 1.00 0.00 C ATOM 1148 O PHE A 75 -0.182 9.563 0.896 1.00 0.00 O ATOM 1149 CB PHE A 75 0.472 7.106 2.577 1.00 0.00 C ATOM 1150 CG PHE A 75 0.879 6.179 3.678 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.214 5.933 3.941 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.084 5.553 4.453 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.586 5.077 4.957 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.281 4.696 5.472 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.618 4.456 5.725 1.00 0.00 C ATOM 0 H PHE A 75 -1.663 8.571 3.092 1.00 0.00 H new ATOM 0 HA PHE A 75 1.227 8.772 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.512 6.813 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.167 6.995 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.974 6.416 3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.130 5.737 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.632 4.892 5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.478 4.214 6.071 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.906 3.785 6.521 1.00 0.00 H new ATOM 1165 N TYR A 76 1.807 10.144 1.770 1.00 0.00 N ATOM 1166 CA TYR A 76 2.149 11.037 0.672 1.00 0.00 C ATOM 1167 C TYR A 76 3.188 10.391 -0.237 1.00 0.00 C ATOM 1168 O TYR A 76 4.056 9.651 0.225 1.00 0.00 O ATOM 1169 CB TYR A 76 2.676 12.367 1.210 1.00 0.00 C ATOM 1170 CG TYR A 76 1.819 12.947 2.311 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.898 12.459 3.608 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.926 13.980 2.051 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.114 12.984 4.617 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.137 14.510 3.054 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.235 14.009 4.335 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.549 14.536 5.337 1.00 0.00 O ATOM 0 H TYR A 76 2.515 10.083 2.502 1.00 0.00 H new ATOM 0 HA TYR A 76 1.247 11.227 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.689 12.224 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.738 13.084 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.584 11.655 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.848 14.375 1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.189 12.594 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.553 15.312 2.836 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.111 15.250 4.971 1.00 0.00 H new ATOM 1186 N ARG A 77 3.085 10.665 -1.529 1.00 0.00 N ATOM 1187 CA ARG A 77 4.010 10.096 -2.501 1.00 0.00 C ATOM 1188 C ARG A 77 5.402 10.705 -2.371 1.00 0.00 C ATOM 1189 O ARG A 77 5.543 11.907 -2.177 1.00 0.00 O ATOM 1190 CB ARG A 77 3.491 10.306 -3.922 1.00 0.00 C ATOM 1191 CG ARG A 77 4.014 9.282 -4.917 1.00 0.00 C ATOM 1192 CD ARG A 77 3.148 8.033 -4.941 1.00 0.00 C ATOM 1193 NE ARG A 77 2.286 7.989 -6.121 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.709 7.647 -7.336 1.00 0.00 C ATOM 1195 NH1 ARG A 77 3.981 7.324 -7.537 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.858 7.628 -8.353 1.00 0.00 N ATOM 0 H ARG A 77 2.373 11.276 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 77 4.081 9.028 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.402 10.267 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.771 11.304 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.044 9.724 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.037 9.011 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.786 7.149 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.534 8.000 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 77 1.303 8.235 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.640 7.337 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.300 7.063 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.880 7.875 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.182 7.366 -9.284 1.00 0.00 H new ATOM 1210 N GLU A 78 6.409 9.841 -2.498 1.00 0.00 N ATOM 1211 CA GLU A 78 7.834 10.198 -2.423 1.00 0.00 C ATOM 1212 C GLU A 78 8.120 11.333 -1.432 1.00 0.00 C ATOM 1213 O GLU A 78 8.917 11.167 -0.508 1.00 0.00 O ATOM 1214 CB GLU A 78 8.367 10.511 -3.836 1.00 0.00 C ATOM 1215 CG GLU A 78 9.012 11.883 -4.018 1.00 0.00 C ATOM 1216 CD GLU A 78 8.015 12.950 -4.425 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.037 12.614 -5.125 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.213 14.123 -4.044 1.00 0.00 O ATOM 0 H GLU A 78 6.257 8.846 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 78 8.372 9.336 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.099 9.749 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.541 10.423 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.495 12.179 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.794 11.815 -4.775 1.00 0.00 H new