USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 700 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 76 THR OG1 : rot -159:sc= 1.03 USER MOD Set 1.2: A 85 SER OG : rot -171:sc= 1.14 USER MOD Set 2.1: A 14 THR OG1 : rot 41:sc= 0.491 USER MOD Set 2.2: A 17 SER OG : rot -81:sc= 1.01 USER MOD Single : A 1 VAL N :NH3+ 162:sc= -0.329 (180deg=-1.1) USER MOD Single : A 2 SER OG : rot -21:sc= -0.842 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 21 SER OG : rot -48:sc= -1.64! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 35 THR OG1 : rot -64:sc= 0.156 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00705 X(o=-0.0071,f=-0.0071) USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.377 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.0711 (180deg=-0.415) USER MOD Single : A 55 SER OG : rot -150:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 88:sc= 1.04 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -30:sc= -0.403 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.86 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 30:sc= 0.474 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.784 K(o=-0.78,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -71:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.113 18.009 -5.374 1.00 0.00 N ATOM 2 CA VAL A 1 7.114 18.159 -6.461 1.00 0.00 C ATOM 3 C VAL A 1 7.408 17.165 -7.577 1.00 0.00 C ATOM 4 O VAL A 1 8.549 16.958 -7.942 1.00 0.00 O ATOM 5 CB VAL A 1 7.182 19.583 -7.040 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.357 20.525 -6.160 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.639 20.052 -7.053 1.00 0.00 C ATOM 0 H1 VAL A 1 8.106 18.860 -4.776 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.875 17.178 -4.796 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.059 17.884 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 1 6.122 17.972 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 1 6.785 19.587 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.402 21.535 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.320 20.188 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.760 20.523 -5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.693 21.061 -7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.030 20.052 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.233 19.378 -7.670 1.00 0.00 H new ATOM 19 N SER A 2 6.372 16.567 -8.104 1.00 0.00 N ATOM 20 CA SER A 2 6.576 15.582 -9.197 1.00 0.00 C ATOM 21 C SER A 2 5.355 15.533 -10.113 1.00 0.00 C ATOM 22 O SER A 2 4.688 16.527 -10.311 1.00 0.00 O ATOM 23 CB SER A 2 6.783 14.199 -8.563 1.00 0.00 C ATOM 24 OG SER A 2 7.911 14.372 -7.718 1.00 0.00 O ATOM 0 H SER A 2 5.403 16.719 -7.825 1.00 0.00 H new ATOM 0 HA SER A 2 7.443 15.873 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.906 13.884 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.965 13.436 -9.320 1.00 0.00 H new ATOM 0 HG SER A 2 8.420 15.157 -8.009 1.00 0.00 H new ATOM 30 N ASP A 3 5.084 14.373 -10.662 1.00 0.00 N ATOM 31 CA ASP A 3 3.910 14.256 -11.562 1.00 0.00 C ATOM 32 C ASP A 3 3.564 12.791 -11.823 1.00 0.00 C ATOM 33 O ASP A 3 2.405 12.442 -11.928 1.00 0.00 O ATOM 34 CB ASP A 3 4.248 14.936 -12.899 1.00 0.00 C ATOM 35 CG ASP A 3 3.173 15.976 -13.226 1.00 0.00 C ATOM 36 OD1 ASP A 3 3.366 17.105 -12.807 1.00 0.00 O ATOM 37 OD2 ASP A 3 2.217 15.580 -13.875 1.00 0.00 O ATOM 0 H ASP A 3 5.621 13.517 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 3 3.053 14.734 -11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.226 15.414 -12.840 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.304 14.192 -13.694 1.00 0.00 H new ATOM 42 N VAL A 4 4.583 11.958 -11.924 1.00 0.00 N ATOM 43 CA VAL A 4 4.337 10.503 -12.179 1.00 0.00 C ATOM 44 C VAL A 4 4.907 9.648 -10.999 1.00 0.00 C ATOM 45 O VAL A 4 5.973 9.945 -10.498 1.00 0.00 O ATOM 46 CB VAL A 4 5.095 10.114 -13.481 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.102 9.613 -14.541 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.829 11.338 -14.035 1.00 0.00 C ATOM 0 H VAL A 4 5.564 12.225 -11.841 1.00 0.00 H new ATOM 0 HA VAL A 4 3.267 10.318 -12.271 1.00 0.00 H new ATOM 0 HB VAL A 4 5.809 9.324 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.643 9.344 -15.448 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.574 8.739 -14.160 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.384 10.401 -14.768 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.359 11.063 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.108 12.125 -14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.543 11.700 -13.295 1.00 0.00 H new ATOM 58 N PRO A 5 4.182 8.586 -10.569 1.00 0.00 N ATOM 59 CA PRO A 5 4.659 7.739 -9.465 1.00 0.00 C ATOM 60 C PRO A 5 6.047 7.180 -9.749 1.00 0.00 C ATOM 61 O PRO A 5 6.538 7.276 -10.856 1.00 0.00 O ATOM 62 CB PRO A 5 3.647 6.576 -9.385 1.00 0.00 C ATOM 63 CG PRO A 5 2.535 6.851 -10.441 1.00 0.00 C ATOM 64 CD PRO A 5 2.886 8.175 -11.142 1.00 0.00 C ATOM 0 HA PRO A 5 4.731 8.309 -8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.139 5.624 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.218 6.509 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.481 6.036 -11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.558 6.917 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.958 8.042 -12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.120 8.930 -10.964 1.00 0.00 H new ATOM 72 N ARG A 6 6.657 6.592 -8.741 1.00 0.00 N ATOM 73 CA ARG A 6 8.031 6.021 -8.961 1.00 0.00 C ATOM 74 C ARG A 6 8.561 5.260 -7.735 1.00 0.00 C ATOM 75 O ARG A 6 7.915 5.184 -6.708 1.00 0.00 O ATOM 76 CB ARG A 6 8.996 7.190 -9.244 1.00 0.00 C ATOM 77 CG ARG A 6 8.908 8.200 -8.097 1.00 0.00 C ATOM 78 CD ARG A 6 9.827 9.389 -8.395 1.00 0.00 C ATOM 79 NE ARG A 6 9.035 10.647 -8.289 1.00 0.00 N ATOM 80 CZ ARG A 6 9.642 11.768 -8.004 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.244 11.888 -6.851 1.00 0.00 N ATOM 82 NH2 ARG A 6 9.625 12.732 -8.882 1.00 0.00 N ATOM 0 H ARG A 6 6.277 6.484 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 6 7.969 5.318 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.017 6.820 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.739 7.670 -10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.880 8.542 -7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.199 7.728 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.660 9.407 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.254 9.295 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 6 8.026 10.633 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.236 11.113 -6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.722 12.757 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.144 12.603 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.093 13.615 -8.679 1.00 0.00 H new ATOM 96 N ASP A 7 9.749 4.705 -7.894 1.00 0.00 N ATOM 97 CA ASP A 7 10.393 3.936 -6.782 1.00 0.00 C ATOM 98 C ASP A 7 9.486 2.851 -6.212 1.00 0.00 C ATOM 99 O ASP A 7 9.158 2.882 -5.054 1.00 0.00 O ATOM 100 CB ASP A 7 10.734 4.920 -5.653 1.00 0.00 C ATOM 101 CG ASP A 7 11.934 5.772 -6.066 1.00 0.00 C ATOM 102 OD1 ASP A 7 12.266 5.709 -7.238 1.00 0.00 O ATOM 103 OD2 ASP A 7 12.453 6.436 -5.185 1.00 0.00 O ATOM 0 H ASP A 7 10.298 4.755 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 7 11.279 3.447 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.876 5.559 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.960 4.375 -4.736 1.00 0.00 H new ATOM 108 N LEU A 8 9.124 1.896 -7.026 1.00 0.00 N ATOM 109 CA LEU A 8 8.236 0.804 -6.527 1.00 0.00 C ATOM 110 C LEU A 8 9.050 -0.437 -6.162 1.00 0.00 C ATOM 111 O LEU A 8 9.606 -1.083 -7.028 1.00 0.00 O ATOM 112 CB LEU A 8 7.253 0.435 -7.650 1.00 0.00 C ATOM 113 CG LEU A 8 6.341 1.631 -7.927 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.527 2.087 -9.375 1.00 0.00 C ATOM 115 CD2 LEU A 8 4.883 1.219 -7.710 1.00 0.00 C ATOM 0 H LEU A 8 9.401 1.824 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 8 7.710 1.150 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.799 0.161 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.659 -0.432 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 8 6.595 2.447 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.878 2.939 -9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.566 2.377 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.271 1.270 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.231 2.070 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.630 0.404 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.748 0.889 -6.680 1.00 0.00 H new ATOM 127 N GLU A 9 9.110 -0.747 -4.878 1.00 0.00 N ATOM 128 CA GLU A 9 9.891 -1.951 -4.449 1.00 0.00 C ATOM 129 C GLU A 9 9.127 -2.786 -3.422 1.00 0.00 C ATOM 130 O GLU A 9 8.162 -2.327 -2.821 1.00 0.00 O ATOM 131 CB GLU A 9 11.207 -1.483 -3.797 1.00 0.00 C ATOM 132 CG GLU A 9 11.891 -0.453 -4.698 1.00 0.00 C ATOM 133 CD GLU A 9 11.470 0.953 -4.268 1.00 0.00 C ATOM 134 OE1 GLU A 9 10.331 1.071 -3.845 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.310 1.828 -4.382 1.00 0.00 O ATOM 0 H GLU A 9 8.659 -0.225 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 9 10.074 -2.564 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.004 -1.047 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.867 -2.335 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.974 -0.557 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.617 -0.625 -5.739 1.00 0.00 H new ATOM 142 N VAL A 10 9.582 -4.006 -3.246 1.00 0.00 N ATOM 143 CA VAL A 10 8.929 -4.918 -2.274 1.00 0.00 C ATOM 144 C VAL A 10 9.569 -4.749 -0.901 1.00 0.00 C ATOM 145 O VAL A 10 10.738 -5.030 -0.727 1.00 0.00 O ATOM 146 CB VAL A 10 9.161 -6.359 -2.743 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.537 -7.325 -1.732 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.499 -6.556 -4.104 1.00 0.00 C ATOM 0 H VAL A 10 10.381 -4.403 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 10 7.865 -4.692 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 10 10.231 -6.553 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.699 -8.351 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.000 -7.179 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.467 -7.133 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.661 -7.579 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.429 -6.367 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.934 -5.863 -4.824 1.00 0.00 H new ATOM 158 N VAL A 11 8.803 -4.301 0.053 1.00 0.00 N ATOM 159 CA VAL A 11 9.379 -4.115 1.412 1.00 0.00 C ATOM 160 C VAL A 11 9.403 -5.423 2.197 1.00 0.00 C ATOM 161 O VAL A 11 9.956 -5.485 3.276 1.00 0.00 O ATOM 162 CB VAL A 11 8.515 -3.099 2.176 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.364 -2.424 3.254 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.009 -2.034 1.205 1.00 0.00 C ATOM 0 H VAL A 11 7.817 -4.059 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 11 10.405 -3.762 1.304 1.00 0.00 H new ATOM 0 HB VAL A 11 7.670 -3.612 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.755 -1.702 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.739 -3.178 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.204 -1.910 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.396 -1.312 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.858 -1.522 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.412 -2.507 0.425 1.00 0.00 H new ATOM 174 N ALA A 12 8.809 -6.444 1.648 1.00 0.00 N ATOM 175 CA ALA A 12 8.801 -7.739 2.370 1.00 0.00 C ATOM 176 C ALA A 12 7.851 -8.736 1.719 1.00 0.00 C ATOM 177 O ALA A 12 7.033 -8.378 0.897 1.00 0.00 O ATOM 178 CB ALA A 12 8.326 -7.485 3.809 1.00 0.00 C ATOM 0 H ALA A 12 8.336 -6.437 0.744 1.00 0.00 H new ATOM 0 HA ALA A 12 9.808 -8.156 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.312 -8.426 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.006 -6.788 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.322 -7.061 3.791 1.00 0.00 H new ATOM 184 N ALA A 13 7.983 -9.976 2.109 1.00 0.00 N ATOM 185 CA ALA A 13 7.105 -11.025 1.537 1.00 0.00 C ATOM 186 C ALA A 13 6.909 -12.157 2.547 1.00 0.00 C ATOM 187 O ALA A 13 7.814 -12.484 3.290 1.00 0.00 O ATOM 188 CB ALA A 13 7.779 -11.585 0.272 1.00 0.00 C ATOM 0 H ALA A 13 8.661 -10.303 2.798 1.00 0.00 H new ATOM 0 HA ALA A 13 6.132 -10.597 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.148 -12.359 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.920 -10.782 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.747 -12.011 0.534 1.00 0.00 H new ATOM 194 N THR A 14 5.729 -12.732 2.554 1.00 0.00 N ATOM 195 CA THR A 14 5.453 -13.845 3.510 1.00 0.00 C ATOM 196 C THR A 14 4.656 -14.966 2.818 1.00 0.00 C ATOM 197 O THR A 14 4.030 -14.742 1.803 1.00 0.00 O ATOM 198 CB THR A 14 4.613 -13.274 4.663 1.00 0.00 C ATOM 199 OG1 THR A 14 4.075 -12.070 4.168 1.00 0.00 O ATOM 200 CG2 THR A 14 5.511 -12.834 5.832 1.00 0.00 C ATOM 0 H THR A 14 4.952 -12.479 1.943 1.00 0.00 H new ATOM 0 HA THR A 14 6.393 -14.261 3.873 1.00 0.00 H new ATOM 0 HB THR A 14 3.889 -14.018 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.796 -12.195 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.892 -12.434 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.074 -13.691 6.201 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.203 -12.065 5.489 1.00 0.00 H new ATOM 208 N PRO A 15 4.688 -16.167 3.395 1.00 0.00 N ATOM 209 CA PRO A 15 3.970 -17.305 2.825 1.00 0.00 C ATOM 210 C PRO A 15 2.521 -16.959 2.469 1.00 0.00 C ATOM 211 O PRO A 15 1.834 -17.744 1.845 1.00 0.00 O ATOM 212 CB PRO A 15 4.001 -18.384 3.931 1.00 0.00 C ATOM 213 CG PRO A 15 4.932 -17.855 5.068 1.00 0.00 C ATOM 214 CD PRO A 15 5.420 -16.459 4.642 1.00 0.00 C ATOM 0 HA PRO A 15 4.433 -17.632 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.997 -18.573 4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.375 -19.329 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.393 -17.802 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.776 -18.528 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.207 -15.715 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.498 -16.450 4.479 1.00 0.00 H new ATOM 222 N THR A 16 2.075 -15.796 2.874 1.00 0.00 N ATOM 223 CA THR A 16 0.669 -15.404 2.555 1.00 0.00 C ATOM 224 C THR A 16 0.459 -13.904 2.758 1.00 0.00 C ATOM 225 O THR A 16 -0.557 -13.478 3.272 1.00 0.00 O ATOM 226 CB THR A 16 -0.289 -16.176 3.490 1.00 0.00 C ATOM 227 OG1 THR A 16 0.449 -17.277 3.975 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.435 -16.811 2.687 1.00 0.00 C ATOM 0 H THR A 16 2.614 -15.111 3.403 1.00 0.00 H new ATOM 0 HA THR A 16 0.467 -15.645 1.511 1.00 0.00 H new ATOM 0 HB THR A 16 -0.676 -15.501 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.112 -17.806 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.098 -17.350 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.996 -16.030 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.024 -17.504 1.953 1.00 0.00 H new ATOM 236 N SER A 17 1.420 -13.126 2.338 1.00 0.00 N ATOM 237 CA SER A 17 1.287 -11.657 2.502 1.00 0.00 C ATOM 238 C SER A 17 2.450 -10.920 1.844 1.00 0.00 C ATOM 239 O SER A 17 3.590 -11.313 1.978 1.00 0.00 O ATOM 240 CB SER A 17 1.292 -11.347 4.002 1.00 0.00 C ATOM 241 OG SER A 17 2.308 -10.369 4.151 1.00 0.00 O ATOM 0 H SER A 17 2.281 -13.443 1.893 1.00 0.00 H new ATOM 0 HA SER A 17 0.362 -11.328 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.325 -10.970 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.507 -12.238 4.592 1.00 0.00 H new ATOM 0 HG SER A 17 3.184 -10.808 4.173 1.00 0.00 H new ATOM 247 N LEU A 18 2.131 -9.859 1.138 1.00 0.00 N ATOM 248 CA LEU A 18 3.194 -9.068 0.455 1.00 0.00 C ATOM 249 C LEU A 18 3.050 -7.584 0.756 1.00 0.00 C ATOM 250 O LEU A 18 2.001 -7.007 0.539 1.00 0.00 O ATOM 251 CB LEU A 18 3.043 -9.276 -1.055 1.00 0.00 C ATOM 252 CG LEU A 18 4.362 -8.945 -1.754 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.103 -10.245 -2.055 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.075 -8.224 -3.070 1.00 0.00 C ATOM 0 H LEU A 18 1.181 -9.511 1.008 1.00 0.00 H new ATOM 0 HA LEU A 18 4.169 -9.401 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.758 -10.307 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.246 -8.641 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 18 4.967 -8.307 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.046 -10.019 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.303 -10.774 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.490 -10.871 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.015 -7.988 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.475 -8.867 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.530 -7.302 -2.868 1.00 0.00 H new ATOM 266 N LEU A 19 4.111 -6.994 1.245 1.00 0.00 N ATOM 267 CA LEU A 19 4.065 -5.543 1.567 1.00 0.00 C ATOM 268 C LEU A 19 4.853 -4.749 0.541 1.00 0.00 C ATOM 269 O LEU A 19 6.005 -5.045 0.285 1.00 0.00 O ATOM 270 CB LEU A 19 4.703 -5.327 2.952 1.00 0.00 C ATOM 271 CG LEU A 19 3.992 -4.161 3.652 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.614 -3.943 5.035 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.164 -2.889 2.817 1.00 0.00 C ATOM 0 H LEU A 19 5.001 -7.455 1.433 1.00 0.00 H new ATOM 0 HA LEU A 19 3.028 -5.207 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.619 -6.234 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.766 -5.112 2.847 1.00 0.00 H new ATOM 0 HG LEU A 19 2.932 -4.391 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.110 -3.115 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.502 -4.848 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.673 -3.710 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.660 -2.058 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.225 -2.661 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.729 -3.041 1.829 1.00 0.00 H new ATOM 285 N ILE A 20 4.214 -3.759 -0.038 1.00 0.00 N ATOM 286 CA ILE A 20 4.910 -2.927 -1.057 1.00 0.00 C ATOM 287 C ILE A 20 4.815 -1.456 -0.712 1.00 0.00 C ATOM 288 O ILE A 20 4.012 -1.056 0.111 1.00 0.00 O ATOM 289 CB ILE A 20 4.251 -3.163 -2.421 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.737 -2.900 -2.355 1.00 0.00 C ATOM 291 CG2 ILE A 20 4.483 -4.632 -2.804 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.221 -2.520 -3.758 1.00 0.00 C ATOM 0 H ILE A 20 3.247 -3.497 0.153 1.00 0.00 H new ATOM 0 HA ILE A 20 5.962 -3.210 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 20 4.685 -2.484 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.218 -3.787 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.527 -2.097 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.025 -4.832 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.554 -4.828 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.035 -5.280 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.148 -2.333 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.732 -1.621 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.418 -3.337 -4.452 1.00 0.00 H new ATOM 304 N SER A 21 5.634 -0.672 -1.344 1.00 0.00 N ATOM 305 CA SER A 21 5.601 0.782 -1.061 1.00 0.00 C ATOM 306 C SER A 21 6.274 1.556 -2.176 1.00 0.00 C ATOM 307 O SER A 21 7.212 1.072 -2.794 1.00 0.00 O ATOM 308 CB SER A 21 6.344 1.051 0.260 1.00 0.00 C ATOM 309 OG SER A 21 5.857 0.055 1.149 1.00 0.00 O ATOM 0 H SER A 21 6.319 -0.971 -2.038 1.00 0.00 H new ATOM 0 HA SER A 21 4.563 1.105 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.424 0.975 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.138 2.053 0.635 1.00 0.00 H new ATOM 0 HG SER A 21 4.878 0.031 1.109 1.00 0.00 H new ATOM 315 N TRP A 22 5.773 2.743 -2.436 1.00 0.00 N ATOM 316 CA TRP A 22 6.383 3.557 -3.515 1.00 0.00 C ATOM 317 C TRP A 22 6.442 5.040 -3.149 1.00 0.00 C ATOM 318 O TRP A 22 6.730 5.384 -2.020 1.00 0.00 O ATOM 319 CB TRP A 22 5.578 3.351 -4.824 1.00 0.00 C ATOM 320 CG TRP A 22 4.102 3.741 -4.633 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.590 4.906 -4.999 1.00 0.00 C ATOM 322 CD2 TRP A 22 3.171 2.951 -4.131 1.00 0.00 C ATOM 323 NE1 TRP A 22 2.284 4.789 -4.695 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.936 3.573 -4.134 1.00 0.00 C ATOM 325 CE3 TRP A 22 3.281 1.667 -3.634 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.828 2.910 -3.634 1.00 0.00 C ATOM 327 CZ3 TRP A 22 2.176 1.019 -3.138 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.955 1.640 -3.139 1.00 0.00 C ATOM 0 H TRP A 22 4.982 3.169 -1.953 1.00 0.00 H new ATOM 0 HA TRP A 22 7.411 3.225 -3.657 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.016 3.951 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.645 2.309 -5.136 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.100 5.751 -5.438 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.608 5.534 -4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 22 4.240 1.170 -3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.137 3.395 -3.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.270 0.017 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.089 1.126 -2.748 1.00 0.00 H new ATOM 339 N ASP A 23 6.166 5.895 -4.106 1.00 0.00 N ATOM 340 CA ASP A 23 6.212 7.351 -3.812 1.00 0.00 C ATOM 341 C ASP A 23 4.832 7.912 -3.525 1.00 0.00 C ATOM 342 O ASP A 23 3.837 7.228 -3.645 1.00 0.00 O ATOM 343 CB ASP A 23 6.791 8.059 -5.045 1.00 0.00 C ATOM 344 CG ASP A 23 6.871 9.561 -4.779 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.726 9.925 -3.989 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.072 10.260 -5.378 1.00 0.00 O ATOM 0 H ASP A 23 5.915 5.646 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 23 6.827 7.513 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.782 7.666 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.165 7.866 -5.916 1.00 0.00 H new ATOM 351 N ALA A 24 4.804 9.154 -3.139 1.00 0.00 N ATOM 352 CA ALA A 24 3.512 9.796 -2.832 1.00 0.00 C ATOM 353 C ALA A 24 3.002 10.595 -4.039 1.00 0.00 C ATOM 354 O ALA A 24 3.744 10.860 -4.962 1.00 0.00 O ATOM 355 CB ALA A 24 3.745 10.751 -1.667 1.00 0.00 C ATOM 0 H ALA A 24 5.625 9.749 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 24 2.769 9.037 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.809 11.247 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.108 10.191 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.485 11.499 -1.952 1.00 0.00 H new ATOM 361 N PRO A 25 1.729 10.972 -4.006 1.00 0.00 N ATOM 362 CA PRO A 25 1.137 11.738 -5.100 1.00 0.00 C ATOM 363 C PRO A 25 1.816 13.095 -5.277 1.00 0.00 C ATOM 364 O PRO A 25 2.593 13.519 -4.443 1.00 0.00 O ATOM 365 CB PRO A 25 -0.322 11.972 -4.680 1.00 0.00 C ATOM 366 CG PRO A 25 -0.499 11.374 -3.250 1.00 0.00 C ATOM 367 CD PRO A 25 0.808 10.656 -2.896 1.00 0.00 C ATOM 0 HA PRO A 25 1.241 11.201 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.556 13.037 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.005 11.494 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.714 12.161 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.339 10.680 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.204 11.005 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.655 9.581 -2.803 1.00 0.00 H new ATOM 375 N ALA A 26 1.497 13.751 -6.372 1.00 0.00 N ATOM 376 CA ALA A 26 2.100 15.086 -6.645 1.00 0.00 C ATOM 377 C ALA A 26 1.071 16.202 -6.420 1.00 0.00 C ATOM 378 O ALA A 26 1.073 16.856 -5.397 1.00 0.00 O ATOM 379 CB ALA A 26 2.557 15.118 -8.113 1.00 0.00 C ATOM 0 H ALA A 26 0.847 13.415 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 26 2.941 15.246 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.002 16.088 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.295 14.333 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.699 14.955 -8.765 1.00 0.00 H new ATOM 385 N VAL A 27 0.212 16.397 -7.392 1.00 0.00 N ATOM 386 CA VAL A 27 -0.824 17.461 -7.261 1.00 0.00 C ATOM 387 C VAL A 27 -2.093 16.899 -6.657 1.00 0.00 C ATOM 388 O VAL A 27 -2.086 15.824 -6.088 1.00 0.00 O ATOM 389 CB VAL A 27 -1.150 18.000 -8.662 1.00 0.00 C ATOM 390 CG1 VAL A 27 0.152 18.235 -9.427 1.00 0.00 C ATOM 391 CG2 VAL A 27 -1.999 16.972 -9.415 1.00 0.00 C ATOM 0 H VAL A 27 0.186 15.868 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.441 18.251 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.700 18.937 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.075 18.618 -10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.764 18.960 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.697 17.295 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.232 17.351 -10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.445 16.037 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.925 16.794 -8.868 1.00 0.00 H new ATOM 401 N THR A 28 -3.159 17.650 -6.781 1.00 0.00 N ATOM 402 CA THR A 28 -4.462 17.185 -6.221 1.00 0.00 C ATOM 403 C THR A 28 -4.625 15.692 -6.452 1.00 0.00 C ATOM 404 O THR A 28 -4.083 15.155 -7.401 1.00 0.00 O ATOM 405 CB THR A 28 -5.601 17.927 -6.941 1.00 0.00 C ATOM 406 OG1 THR A 28 -5.176 18.053 -8.283 1.00 0.00 O ATOM 407 CG2 THR A 28 -5.721 19.375 -6.435 1.00 0.00 C ATOM 0 H THR A 28 -3.182 18.559 -7.243 1.00 0.00 H new ATOM 0 HA THR A 28 -4.489 17.388 -5.150 1.00 0.00 H new ATOM 0 HB THR A 28 -6.540 17.393 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.864 18.520 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.533 19.878 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.928 19.370 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.786 19.904 -6.621 1.00 0.00 H new ATOM 415 N VAL A 29 -5.359 15.042 -5.586 1.00 0.00 N ATOM 416 CA VAL A 29 -5.551 13.580 -5.758 1.00 0.00 C ATOM 417 C VAL A 29 -6.973 13.156 -5.480 1.00 0.00 C ATOM 418 O VAL A 29 -7.653 13.730 -4.653 1.00 0.00 O ATOM 419 CB VAL A 29 -4.658 12.839 -4.745 1.00 0.00 C ATOM 420 CG1 VAL A 29 -4.531 11.375 -5.179 1.00 0.00 C ATOM 421 CG2 VAL A 29 -3.263 13.472 -4.697 1.00 0.00 C ATOM 0 H VAL A 29 -5.826 15.457 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.300 13.340 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.108 12.906 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.901 10.839 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.519 10.916 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.082 11.327 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.645 12.936 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.803 13.414 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.348 14.516 -4.397 1.00 0.00 H new ATOM 431 N ARG A 30 -7.392 12.144 -6.192 1.00 0.00 N ATOM 432 CA ARG A 30 -8.762 11.626 -6.014 1.00 0.00 C ATOM 433 C ARG A 30 -8.670 10.277 -5.327 1.00 0.00 C ATOM 434 O ARG A 30 -9.292 10.048 -4.309 1.00 0.00 O ATOM 435 CB ARG A 30 -9.417 11.444 -7.392 1.00 0.00 C ATOM 436 CG ARG A 30 -9.451 12.796 -8.116 1.00 0.00 C ATOM 437 CD ARG A 30 -10.660 12.848 -9.062 1.00 0.00 C ATOM 438 NE ARG A 30 -11.809 13.467 -8.343 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.023 13.247 -8.765 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.464 13.912 -9.799 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.757 12.369 -8.137 1.00 0.00 N ATOM 0 H ARG A 30 -6.833 11.656 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.356 12.319 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.858 10.717 -7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.428 11.053 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.511 13.607 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.530 12.940 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.417 13.427 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.921 11.844 -9.396 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.647 14.058 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.861 14.591 -10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.411 13.752 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.378 11.870 -7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.709 12.182 -8.451 1.00 0.00 H new ATOM 455 N TYR A 31 -7.874 9.401 -5.901 1.00 0.00 N ATOM 456 CA TYR A 31 -7.714 8.051 -5.305 1.00 0.00 C ATOM 457 C TYR A 31 -6.440 7.379 -5.797 1.00 0.00 C ATOM 458 O TYR A 31 -5.907 7.713 -6.840 1.00 0.00 O ATOM 459 CB TYR A 31 -8.897 7.154 -5.709 1.00 0.00 C ATOM 460 CG TYR A 31 -10.212 7.874 -5.434 1.00 0.00 C ATOM 461 CD1 TYR A 31 -10.764 7.857 -4.172 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.854 8.570 -6.435 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.939 8.531 -3.911 1.00 0.00 C ATOM 464 CE2 TYR A 31 -12.030 9.245 -6.177 1.00 0.00 C ATOM 465 CZ TYR A 31 -12.582 9.229 -4.912 1.00 0.00 C ATOM 466 OH TYR A 31 -13.754 9.905 -4.652 1.00 0.00 O ATOM 0 H TYR A 31 -7.335 9.570 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.671 8.177 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.826 6.899 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.862 6.218 -5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.273 7.311 -3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.434 8.588 -7.430 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.358 8.512 -2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.521 9.789 -6.970 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.068 10.342 -5.471 1.00 0.00 H new ATOM 476 N TYR A 32 -5.996 6.441 -5.026 1.00 0.00 N ATOM 477 CA TYR A 32 -4.762 5.684 -5.366 1.00 0.00 C ATOM 478 C TYR A 32 -5.150 4.225 -5.582 1.00 0.00 C ATOM 479 O TYR A 32 -5.521 3.537 -4.651 1.00 0.00 O ATOM 480 CB TYR A 32 -3.783 5.804 -4.167 1.00 0.00 C ATOM 481 CG TYR A 32 -2.537 6.659 -4.534 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.630 7.794 -5.335 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.293 6.287 -4.062 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.492 8.523 -5.650 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.167 7.022 -4.379 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.260 8.141 -5.174 1.00 0.00 C ATOM 487 OH TYR A 32 0.870 8.873 -5.487 1.00 0.00 O ATOM 0 H TYR A 32 -6.442 6.157 -4.154 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.286 6.072 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.298 6.255 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.464 4.809 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.592 8.108 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.200 5.411 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.575 9.399 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.796 6.715 -3.999 1.00 0.00 H new ATOM 0 HH TYR A 32 1.653 8.461 -5.066 1.00 0.00 H new ATOM 497 N ARG A 33 -5.051 3.779 -6.808 1.00 0.00 N ATOM 498 CA ARG A 33 -5.419 2.371 -7.107 1.00 0.00 C ATOM 499 C ARG A 33 -4.227 1.442 -7.219 1.00 0.00 C ATOM 500 O ARG A 33 -3.175 1.818 -7.690 1.00 0.00 O ATOM 501 CB ARG A 33 -6.149 2.375 -8.445 1.00 0.00 C ATOM 502 CG ARG A 33 -7.655 2.337 -8.205 1.00 0.00 C ATOM 503 CD ARG A 33 -8.384 2.451 -9.545 1.00 0.00 C ATOM 504 NE ARG A 33 -9.829 2.710 -9.290 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.710 1.789 -9.582 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.584 0.604 -9.051 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.685 2.086 -10.398 1.00 0.00 N ATOM 0 H ARG A 33 -4.733 4.328 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.029 2.001 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.883 3.266 -9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.843 1.515 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.932 1.409 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.951 3.154 -7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.956 3.258 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.262 1.533 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.129 3.599 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.808 0.408 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.262 -0.127 -9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.750 3.023 -10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.382 1.381 -10.638 1.00 0.00 H new ATOM 521 N ILE A 34 -4.436 0.229 -6.775 1.00 0.00 N ATOM 522 CA ILE A 34 -3.359 -0.786 -6.827 1.00 0.00 C ATOM 523 C ILE A 34 -3.952 -2.144 -7.200 1.00 0.00 C ATOM 524 O ILE A 34 -4.676 -2.739 -6.419 1.00 0.00 O ATOM 525 CB ILE A 34 -2.704 -0.897 -5.441 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.321 0.483 -4.925 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.409 -1.720 -5.576 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.486 1.109 -4.138 1.00 0.00 C ATOM 0 H ILE A 34 -5.316 -0.098 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.619 -0.490 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.408 -1.367 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.442 0.407 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.052 1.128 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.931 -1.809 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.647 -2.714 -5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.731 -1.221 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.193 2.095 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.355 1.204 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.736 0.472 -3.290 1.00 0.00 H new ATOM 540 N THR A 35 -3.641 -2.603 -8.395 1.00 0.00 N ATOM 541 CA THR A 35 -4.176 -3.924 -8.848 1.00 0.00 C ATOM 542 C THR A 35 -3.054 -4.872 -9.198 1.00 0.00 C ATOM 543 O THR A 35 -1.986 -4.449 -9.595 1.00 0.00 O ATOM 544 CB THR A 35 -5.036 -3.701 -10.100 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.118 -3.565 -11.165 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.759 -2.345 -10.042 1.00 0.00 C ATOM 0 H THR A 35 -3.045 -2.121 -9.068 1.00 0.00 H new ATOM 0 HA THR A 35 -4.763 -4.359 -8.039 1.00 0.00 H new ATOM 0 HB THR A 35 -5.757 -4.513 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.569 -2.766 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.360 -2.215 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.406 -2.315 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.024 -1.543 -9.978 1.00 0.00 H new ATOM 554 N TYR A 36 -3.308 -6.153 -9.043 1.00 0.00 N ATOM 555 CA TYR A 36 -2.243 -7.133 -9.372 1.00 0.00 C ATOM 556 C TYR A 36 -2.816 -8.400 -9.983 1.00 0.00 C ATOM 557 O TYR A 36 -3.974 -8.725 -9.784 1.00 0.00 O ATOM 558 CB TYR A 36 -1.501 -7.488 -8.073 1.00 0.00 C ATOM 559 CG TYR A 36 -2.484 -8.108 -7.087 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.425 -7.325 -6.453 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.452 -9.460 -6.826 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.322 -7.887 -5.572 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.350 -10.022 -5.944 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.292 -9.238 -5.311 1.00 0.00 C ATOM 565 OH TYR A 36 -5.194 -9.801 -4.433 1.00 0.00 O ATOM 0 H TYR A 36 -4.188 -6.547 -8.710 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.569 -6.687 -10.103 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.690 -8.185 -8.283 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.050 -6.594 -7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.459 -6.263 -6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.719 -10.084 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.055 -7.263 -5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.316 -11.083 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.030 -10.765 -4.369 1.00 0.00 H new ATOM 575 N GLY A 37 -1.990 -9.084 -10.749 1.00 0.00 N ATOM 576 CA GLY A 37 -2.453 -10.344 -11.395 1.00 0.00 C ATOM 577 C GLY A 37 -1.412 -10.856 -12.398 1.00 0.00 C ATOM 578 O GLY A 37 -0.712 -10.084 -13.026 1.00 0.00 O ATOM 0 H GLY A 37 -1.025 -8.821 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.635 -11.103 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.401 -10.170 -11.905 1.00 0.00 H new ATOM 582 N GLU A 38 -1.330 -12.157 -12.522 1.00 0.00 N ATOM 583 CA GLU A 38 -0.359 -12.742 -13.462 1.00 0.00 C ATOM 584 C GLU A 38 -0.652 -12.323 -14.899 1.00 0.00 C ATOM 585 O GLU A 38 -1.710 -11.802 -15.196 1.00 0.00 O ATOM 586 CB GLU A 38 -0.454 -14.276 -13.345 1.00 0.00 C ATOM 587 CG GLU A 38 -1.609 -14.800 -14.214 1.00 0.00 C ATOM 588 CD GLU A 38 -2.844 -13.923 -14.000 1.00 0.00 C ATOM 589 OE1 GLU A 38 -3.186 -13.744 -12.844 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.374 -13.478 -15.007 1.00 0.00 O ATOM 0 H GLU A 38 -1.899 -12.830 -12.008 1.00 0.00 H new ATOM 0 HA GLU A 38 0.641 -12.388 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.485 -14.732 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.613 -14.560 -12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.321 -14.791 -15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.834 -15.834 -13.954 1.00 0.00 H new ATOM 597 N THR A 39 0.298 -12.564 -15.764 1.00 0.00 N ATOM 598 CA THR A 39 0.110 -12.194 -17.188 1.00 0.00 C ATOM 599 C THR A 39 -0.821 -13.179 -17.885 1.00 0.00 C ATOM 600 O THR A 39 -0.789 -14.363 -17.616 1.00 0.00 O ATOM 601 CB THR A 39 1.479 -12.232 -17.875 1.00 0.00 C ATOM 602 OG1 THR A 39 1.241 -11.846 -19.215 1.00 0.00 O ATOM 603 CG2 THR A 39 2.001 -13.672 -17.977 1.00 0.00 C ATOM 0 H THR A 39 1.193 -13.000 -15.542 1.00 0.00 H new ATOM 0 HA THR A 39 -0.332 -11.199 -17.247 1.00 0.00 H new ATOM 0 HB THR A 39 2.182 -11.608 -17.324 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.086 -11.849 -19.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.974 -13.672 -18.468 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.099 -14.095 -16.977 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.301 -14.272 -18.558 1.00 0.00 H new ATOM 611 N GLY A 40 -1.631 -12.675 -18.774 1.00 0.00 N ATOM 612 CA GLY A 40 -2.572 -13.573 -19.499 1.00 0.00 C ATOM 613 C GLY A 40 -3.484 -12.756 -20.413 1.00 0.00 C ATOM 614 O GLY A 40 -3.939 -13.236 -21.433 1.00 0.00 O ATOM 0 H GLY A 40 -1.682 -11.689 -19.028 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.012 -14.300 -20.088 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.172 -14.136 -18.784 1.00 0.00 H new ATOM 618 N GLY A 41 -3.732 -11.538 -20.027 1.00 0.00 N ATOM 619 CA GLY A 41 -4.611 -10.669 -20.856 1.00 0.00 C ATOM 620 C GLY A 41 -5.188 -9.542 -20.005 1.00 0.00 C ATOM 621 O GLY A 41 -4.519 -8.568 -19.724 1.00 0.00 O ATOM 0 H GLY A 41 -3.367 -11.107 -19.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.043 -10.253 -21.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.419 -11.261 -21.286 1.00 0.00 H new ATOM 625 N ASN A 42 -6.422 -9.703 -19.620 1.00 0.00 N ATOM 626 CA ASN A 42 -7.082 -8.665 -18.785 1.00 0.00 C ATOM 627 C ASN A 42 -7.850 -9.316 -17.635 1.00 0.00 C ATOM 628 O ASN A 42 -9.054 -9.189 -17.537 1.00 0.00 O ATOM 629 CB ASN A 42 -8.064 -7.884 -19.678 1.00 0.00 C ATOM 630 CG ASN A 42 -8.279 -6.488 -19.095 1.00 0.00 C ATOM 631 OD1 ASN A 42 -7.672 -5.525 -19.520 1.00 0.00 O ATOM 632 ND2 ASN A 42 -9.132 -6.333 -18.120 1.00 0.00 N ATOM 0 H ASN A 42 -7.002 -10.510 -19.848 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.329 -7.998 -18.364 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.671 -7.810 -20.692 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.014 -8.414 -19.742 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.286 -5.408 -17.719 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.645 -7.137 -17.758 1.00 0.00 H new ATOM 639 N SER A 43 -7.126 -10.000 -16.780 1.00 0.00 N ATOM 640 CA SER A 43 -7.782 -10.674 -15.625 1.00 0.00 C ATOM 641 C SER A 43 -6.996 -10.445 -14.331 1.00 0.00 C ATOM 642 O SER A 43 -6.400 -11.360 -13.799 1.00 0.00 O ATOM 643 CB SER A 43 -7.803 -12.184 -15.907 1.00 0.00 C ATOM 644 OG SER A 43 -8.703 -12.704 -14.939 1.00 0.00 O ATOM 0 H SER A 43 -6.114 -10.118 -16.835 1.00 0.00 H new ATOM 0 HA SER A 43 -8.786 -10.267 -15.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.142 -12.396 -16.921 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.810 -12.623 -15.805 1.00 0.00 H new ATOM 0 HG SER A 43 -8.778 -13.675 -15.050 1.00 0.00 H new ATOM 650 N PRO A 44 -7.008 -9.216 -13.844 1.00 0.00 N ATOM 651 CA PRO A 44 -6.295 -8.882 -12.618 1.00 0.00 C ATOM 652 C PRO A 44 -6.834 -9.680 -11.436 1.00 0.00 C ATOM 653 O PRO A 44 -8.029 -9.739 -11.220 1.00 0.00 O ATOM 654 CB PRO A 44 -6.561 -7.378 -12.396 1.00 0.00 C ATOM 655 CG PRO A 44 -7.414 -6.876 -13.601 1.00 0.00 C ATOM 656 CD PRO A 44 -7.724 -8.099 -14.481 1.00 0.00 C ATOM 0 HA PRO A 44 -5.233 -9.114 -12.699 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.090 -7.216 -11.457 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.623 -6.827 -12.333 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.335 -6.410 -13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.870 -6.121 -14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.796 -8.292 -14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.384 -7.945 -15.505 1.00 0.00 H new ATOM 664 N VAL A 45 -5.946 -10.279 -10.688 1.00 0.00 N ATOM 665 CA VAL A 45 -6.402 -11.073 -9.523 1.00 0.00 C ATOM 666 C VAL A 45 -7.367 -10.268 -8.683 1.00 0.00 C ATOM 667 O VAL A 45 -8.431 -10.735 -8.339 1.00 0.00 O ATOM 668 CB VAL A 45 -5.174 -11.453 -8.674 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.619 -11.929 -7.291 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.428 -12.581 -9.370 1.00 0.00 C ATOM 0 H VAL A 45 -4.937 -10.251 -10.835 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.912 -11.971 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.528 -10.582 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.744 -12.195 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.167 -11.131 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.264 -12.801 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.556 -12.860 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.087 -13.443 -9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.106 -12.250 -10.357 1.00 0.00 H new ATOM 680 N GLN A 46 -6.982 -9.074 -8.377 1.00 0.00 N ATOM 681 CA GLN A 46 -7.868 -8.209 -7.553 1.00 0.00 C ATOM 682 C GLN A 46 -7.428 -6.760 -7.638 1.00 0.00 C ATOM 683 O GLN A 46 -6.356 -6.459 -8.126 1.00 0.00 O ATOM 684 CB GLN A 46 -7.782 -8.662 -6.079 1.00 0.00 C ATOM 685 CG GLN A 46 -9.116 -9.297 -5.651 1.00 0.00 C ATOM 686 CD GLN A 46 -10.140 -8.193 -5.396 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.031 -7.438 -4.450 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.149 -8.064 -6.212 1.00 0.00 N ATOM 0 H GLN A 46 -6.096 -8.654 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.888 -8.296 -7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.971 -9.380 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.553 -7.810 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.477 -9.972 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.976 -9.894 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.245 -8.695 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.842 -7.332 -6.055 1.00 0.00 H new ATOM 697 N GLU A 47 -8.263 -5.885 -7.161 1.00 0.00 N ATOM 698 CA GLU A 47 -7.912 -4.451 -7.203 1.00 0.00 C ATOM 699 C GLU A 47 -8.517 -3.726 -6.006 1.00 0.00 C ATOM 700 O GLU A 47 -9.585 -4.080 -5.544 1.00 0.00 O ATOM 701 CB GLU A 47 -8.489 -3.849 -8.512 1.00 0.00 C ATOM 702 CG GLU A 47 -8.909 -2.384 -8.284 1.00 0.00 C ATOM 703 CD GLU A 47 -9.131 -1.707 -9.637 1.00 0.00 C ATOM 704 OE1 GLU A 47 -10.060 -2.127 -10.308 1.00 0.00 O ATOM 705 OE2 GLU A 47 -8.363 -0.803 -9.922 1.00 0.00 O ATOM 0 H GLU A 47 -9.169 -6.103 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.829 -4.335 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.743 -3.902 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.347 -4.434 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.822 -2.343 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.139 -1.856 -7.722 1.00 0.00 H new ATOM 712 N PHE A 48 -7.833 -2.725 -5.517 1.00 0.00 N ATOM 713 CA PHE A 48 -8.381 -1.989 -4.354 1.00 0.00 C ATOM 714 C PHE A 48 -7.857 -0.563 -4.307 1.00 0.00 C ATOM 715 O PHE A 48 -6.679 -0.328 -4.497 1.00 0.00 O ATOM 716 CB PHE A 48 -7.942 -2.715 -3.079 1.00 0.00 C ATOM 717 CG PHE A 48 -6.441 -2.996 -3.150 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.958 -4.054 -3.904 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.542 -2.197 -2.462 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.600 -4.306 -3.966 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.188 -2.453 -2.528 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.719 -3.505 -3.280 1.00 0.00 C ATOM 0 H PHE A 48 -6.935 -2.394 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.467 -1.954 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.169 -2.106 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.494 -3.649 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.646 -4.685 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.903 -1.369 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.231 -5.133 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.494 -1.826 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.658 -3.701 -3.331 1.00 0.00 H new ATOM 732 N THR A 49 -8.750 0.373 -4.062 1.00 0.00 N ATOM 733 CA THR A 49 -8.321 1.794 -3.997 1.00 0.00 C ATOM 734 C THR A 49 -8.176 2.239 -2.556 1.00 0.00 C ATOM 735 O THR A 49 -8.891 1.782 -1.686 1.00 0.00 O ATOM 736 CB THR A 49 -9.378 2.679 -4.678 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.036 4.001 -4.317 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.765 2.459 -4.057 1.00 0.00 C ATOM 0 H THR A 49 -9.745 0.208 -3.907 1.00 0.00 H new ATOM 0 HA THR A 49 -7.361 1.889 -4.504 1.00 0.00 H new ATOM 0 HB THR A 49 -9.403 2.469 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.852 4.510 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.493 3.097 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.055 1.415 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.732 2.708 -2.996 1.00 0.00 H new ATOM 746 N VAL A 50 -7.249 3.124 -2.333 1.00 0.00 N ATOM 747 CA VAL A 50 -7.024 3.624 -0.963 1.00 0.00 C ATOM 748 C VAL A 50 -6.727 5.134 -1.016 1.00 0.00 C ATOM 749 O VAL A 50 -6.201 5.616 -2.000 1.00 0.00 O ATOM 750 CB VAL A 50 -5.795 2.877 -0.388 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.767 1.449 -0.936 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.511 3.592 -0.818 1.00 0.00 C ATOM 0 H VAL A 50 -6.638 3.521 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.902 3.456 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.863 2.860 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.903 0.921 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.679 0.929 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.699 1.478 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.648 3.065 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.449 3.606 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.521 4.615 -0.442 1.00 0.00 H new ATOM 762 N PRO A 51 -7.071 5.871 0.037 1.00 0.00 N ATOM 763 CA PRO A 51 -6.816 7.301 0.051 1.00 0.00 C ATOM 764 C PRO A 51 -5.357 7.595 -0.267 1.00 0.00 C ATOM 765 O PRO A 51 -4.462 7.088 0.378 1.00 0.00 O ATOM 766 CB PRO A 51 -7.143 7.749 1.490 1.00 0.00 C ATOM 767 CG PRO A 51 -7.654 6.499 2.260 1.00 0.00 C ATOM 768 CD PRO A 51 -7.698 5.337 1.257 1.00 0.00 C ATOM 0 HA PRO A 51 -7.413 7.824 -0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.258 8.163 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.900 8.533 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.993 6.263 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.643 6.683 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.156 4.469 1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.722 5.016 1.068 1.00 0.00 H new ATOM 776 N GLY A 52 -5.141 8.412 -1.256 1.00 0.00 N ATOM 777 CA GLY A 52 -3.744 8.754 -1.635 1.00 0.00 C ATOM 778 C GLY A 52 -3.004 9.479 -0.493 1.00 0.00 C ATOM 779 O GLY A 52 -1.990 10.107 -0.724 1.00 0.00 O ATOM 0 H GLY A 52 -5.868 8.857 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.205 7.844 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.752 9.387 -2.523 1.00 0.00 H new ATOM 783 N SER A 53 -3.517 9.385 0.715 1.00 0.00 N ATOM 784 CA SER A 53 -2.831 10.067 1.839 1.00 0.00 C ATOM 785 C SER A 53 -1.554 9.322 2.205 1.00 0.00 C ATOM 786 O SER A 53 -0.532 9.924 2.466 1.00 0.00 O ATOM 787 CB SER A 53 -3.769 10.077 3.054 1.00 0.00 C ATOM 788 OG SER A 53 -4.185 11.431 3.166 1.00 0.00 O ATOM 0 H SER A 53 -4.365 8.873 0.959 1.00 0.00 H new ATOM 0 HA SER A 53 -2.577 11.085 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.619 9.411 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.256 9.743 3.956 1.00 0.00 H new ATOM 0 HG SER A 53 -4.796 11.524 3.927 1.00 0.00 H new ATOM 794 N LYS A 54 -1.636 8.020 2.218 1.00 0.00 N ATOM 795 CA LYS A 54 -0.437 7.220 2.565 1.00 0.00 C ATOM 796 C LYS A 54 0.400 6.941 1.323 1.00 0.00 C ATOM 797 O LYS A 54 0.135 7.469 0.260 1.00 0.00 O ATOM 798 CB LYS A 54 -0.897 5.876 3.155 1.00 0.00 C ATOM 799 CG LYS A 54 -1.716 6.134 4.424 1.00 0.00 C ATOM 800 CD LYS A 54 -2.041 4.797 5.098 1.00 0.00 C ATOM 801 CE LYS A 54 -1.449 4.791 6.511 1.00 0.00 C ATOM 802 NZ LYS A 54 0.033 4.946 6.460 1.00 0.00 N ATOM 0 H LYS A 54 -2.476 7.482 2.005 1.00 0.00 H new ATOM 0 HA LYS A 54 0.165 7.778 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.497 5.332 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.033 5.253 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.157 6.773 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.636 6.662 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.120 4.651 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.631 3.972 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.885 5.600 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.705 3.859 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.462 4.444 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.393 4.547 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.278 5.955 6.511 1.00 0.00 H new ATOM 816 N SER A 55 1.400 6.116 1.483 1.00 0.00 N ATOM 817 CA SER A 55 2.273 5.784 0.329 1.00 0.00 C ATOM 818 C SER A 55 2.642 4.307 0.349 1.00 0.00 C ATOM 819 O SER A 55 3.541 3.883 -0.350 1.00 0.00 O ATOM 820 CB SER A 55 3.561 6.615 0.438 1.00 0.00 C ATOM 821 OG SER A 55 3.374 7.670 -0.495 1.00 0.00 O ATOM 0 H SER A 55 1.647 5.661 2.362 1.00 0.00 H new ATOM 0 HA SER A 55 1.743 6.005 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.704 6.998 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.441 6.020 0.195 1.00 0.00 H new ATOM 0 HG SER A 55 4.243 7.952 -0.848 1.00 0.00 H new ATOM 827 N THR A 56 1.932 3.554 1.155 1.00 0.00 N ATOM 828 CA THR A 56 2.210 2.095 1.250 1.00 0.00 C ATOM 829 C THR A 56 0.937 1.290 1.018 1.00 0.00 C ATOM 830 O THR A 56 -0.137 1.847 0.885 1.00 0.00 O ATOM 831 CB THR A 56 2.714 1.798 2.669 1.00 0.00 C ATOM 832 OG1 THR A 56 1.775 2.411 3.530 1.00 0.00 O ATOM 833 CG2 THR A 56 4.033 2.531 2.956 1.00 0.00 C ATOM 0 H THR A 56 1.174 3.891 1.749 1.00 0.00 H new ATOM 0 HA THR A 56 2.948 1.820 0.496 1.00 0.00 H new ATOM 0 HB THR A 56 2.844 0.723 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.037 2.258 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.364 2.301 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.792 2.207 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.880 3.606 2.860 1.00 0.00 H new ATOM 841 N ALA A 57 1.075 -0.011 0.964 1.00 0.00 N ATOM 842 CA ALA A 57 -0.127 -0.854 0.740 1.00 0.00 C ATOM 843 C ALA A 57 0.183 -2.333 0.946 1.00 0.00 C ATOM 844 O ALA A 57 1.053 -2.884 0.300 1.00 0.00 O ATOM 845 CB ALA A 57 -0.598 -0.646 -0.699 1.00 0.00 C ATOM 0 H ALA A 57 1.956 -0.515 1.064 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.896 -0.564 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.481 -1.257 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.845 0.405 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.196 -0.937 -1.387 1.00 0.00 H new ATOM 851 N THR A 58 -0.540 -2.949 1.848 1.00 0.00 N ATOM 852 CA THR A 58 -0.309 -4.392 2.116 1.00 0.00 C ATOM 853 C THR A 58 -1.277 -5.254 1.305 1.00 0.00 C ATOM 854 O THR A 58 -2.403 -4.866 1.065 1.00 0.00 O ATOM 855 CB THR A 58 -0.519 -4.640 3.631 1.00 0.00 C ATOM 856 OG1 THR A 58 0.579 -5.434 4.028 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.757 -5.525 3.922 1.00 0.00 C ATOM 0 H THR A 58 -1.275 -2.514 2.405 1.00 0.00 H new ATOM 0 HA THR A 58 0.705 -4.664 1.823 1.00 0.00 H new ATOM 0 HB THR A 58 -0.632 -3.679 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.512 -5.630 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.858 -5.667 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.652 -5.037 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.634 -6.494 3.438 1.00 0.00 H new ATOM 865 N ILE A 59 -0.814 -6.415 0.897 1.00 0.00 N ATOM 866 CA ILE A 59 -1.691 -7.323 0.097 1.00 0.00 C ATOM 867 C ILE A 59 -1.562 -8.769 0.574 1.00 0.00 C ATOM 868 O ILE A 59 -0.515 -9.188 1.010 1.00 0.00 O ATOM 869 CB ILE A 59 -1.250 -7.242 -1.370 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.199 -5.778 -1.806 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.286 -7.984 -2.237 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.717 -5.684 -3.256 1.00 0.00 C ATOM 0 H ILE A 59 0.125 -6.768 1.083 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.729 -7.013 0.215 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.264 -7.693 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.187 -5.327 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.529 -5.218 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.986 -7.935 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.343 -9.027 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.263 -7.516 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.683 -4.638 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.279 -6.118 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.404 -6.229 -3.904 1.00 0.00 H new ATOM 884 N SER A 60 -2.641 -9.505 0.485 1.00 0.00 N ATOM 885 CA SER A 60 -2.593 -10.925 0.932 1.00 0.00 C ATOM 886 C SER A 60 -3.580 -11.789 0.151 1.00 0.00 C ATOM 887 O SER A 60 -4.579 -11.303 -0.340 1.00 0.00 O ATOM 888 CB SER A 60 -2.963 -10.972 2.419 1.00 0.00 C ATOM 889 OG SER A 60 -2.632 -12.294 2.816 1.00 0.00 O ATOM 0 H SER A 60 -3.541 -9.187 0.126 1.00 0.00 H new ATOM 0 HA SER A 60 -1.590 -11.314 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.405 -10.232 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.021 -10.763 2.573 1.00 0.00 H new ATOM 0 HG SER A 60 -1.693 -12.327 3.093 1.00 0.00 H new ATOM 895 N GLY A 61 -3.275 -13.067 0.061 1.00 0.00 N ATOM 896 CA GLY A 61 -4.178 -14.002 -0.684 1.00 0.00 C ATOM 897 C GLY A 61 -3.402 -14.713 -1.801 1.00 0.00 C ATOM 898 O GLY A 61 -3.903 -15.628 -2.423 1.00 0.00 O ATOM 0 H GLY A 61 -2.445 -13.498 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.597 -14.738 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.016 -13.449 -1.109 1.00 0.00 H new ATOM 902 N LEU A 62 -2.194 -14.264 -2.034 1.00 0.00 N ATOM 903 CA LEU A 62 -1.369 -14.897 -3.102 1.00 0.00 C ATOM 904 C LEU A 62 -1.355 -16.407 -2.948 1.00 0.00 C ATOM 905 O LEU A 62 -1.983 -16.954 -2.063 1.00 0.00 O ATOM 906 CB LEU A 62 0.093 -14.402 -2.992 1.00 0.00 C ATOM 907 CG LEU A 62 0.141 -12.953 -2.480 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.600 -12.479 -2.464 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.675 -12.050 -3.416 1.00 0.00 C ATOM 0 H LEU A 62 -1.749 -13.494 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.803 -14.626 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.651 -15.050 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.577 -14.465 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.278 -12.904 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.645 -11.452 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.184 -13.122 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.009 -12.526 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.640 -11.023 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.255 -12.093 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.710 -12.392 -3.440 1.00 0.00 H new ATOM 921 N LYS A 63 -0.634 -17.057 -3.817 1.00 0.00 N ATOM 922 CA LYS A 63 -0.561 -18.534 -3.742 1.00 0.00 C ATOM 923 C LYS A 63 0.406 -19.129 -4.791 1.00 0.00 C ATOM 924 O LYS A 63 1.173 -20.017 -4.483 1.00 0.00 O ATOM 925 CB LYS A 63 -1.979 -19.127 -3.941 1.00 0.00 C ATOM 926 CG LYS A 63 -2.364 -19.939 -2.698 1.00 0.00 C ATOM 927 CD LYS A 63 -1.381 -21.102 -2.524 1.00 0.00 C ATOM 928 CE LYS A 63 -2.158 -22.368 -2.154 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.229 -23.521 -1.986 1.00 0.00 N ATOM 0 H LYS A 63 -0.096 -16.629 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.173 -18.798 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.701 -18.327 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.000 -19.763 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.349 -19.301 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.380 -20.320 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.821 -21.261 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.655 -20.866 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.714 -22.204 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.889 -22.593 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.773 -24.371 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.717 -23.687 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.547 -23.310 -1.229 1.00 0.00 H new ATOM 943 N PRO A 64 0.350 -18.626 -6.019 1.00 0.00 N ATOM 944 CA PRO A 64 1.217 -19.115 -7.088 1.00 0.00 C ATOM 945 C PRO A 64 2.620 -18.525 -6.993 1.00 0.00 C ATOM 946 O PRO A 64 2.984 -17.920 -6.005 1.00 0.00 O ATOM 947 CB PRO A 64 0.542 -18.619 -8.387 1.00 0.00 C ATOM 948 CG PRO A 64 -0.635 -17.684 -7.964 1.00 0.00 C ATOM 949 CD PRO A 64 -0.597 -17.586 -6.432 1.00 0.00 C ATOM 0 HA PRO A 64 1.332 -20.198 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.256 -18.081 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.174 -19.460 -8.975 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.527 -16.698 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.590 -18.088 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.269 -16.599 -6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.583 -17.753 -5.999 1.00 0.00 H new ATOM 957 N GLY A 65 3.370 -18.719 -8.030 1.00 0.00 N ATOM 958 CA GLY A 65 4.761 -18.193 -8.064 1.00 0.00 C ATOM 959 C GLY A 65 5.172 -17.991 -9.515 1.00 0.00 C ATOM 960 O GLY A 65 5.747 -18.870 -10.129 1.00 0.00 O ATOM 0 H GLY A 65 3.080 -19.224 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.822 -17.251 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.440 -18.890 -7.573 1.00 0.00 H new ATOM 964 N VAL A 66 4.868 -16.839 -10.041 1.00 0.00 N ATOM 965 CA VAL A 66 5.234 -16.576 -11.456 1.00 0.00 C ATOM 966 C VAL A 66 5.347 -15.074 -11.743 1.00 0.00 C ATOM 967 O VAL A 66 5.202 -14.249 -10.855 1.00 0.00 O ATOM 968 CB VAL A 66 4.110 -17.179 -12.330 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.805 -16.393 -12.096 1.00 0.00 C ATOM 970 CG2 VAL A 66 4.499 -17.118 -13.818 1.00 0.00 C ATOM 0 H VAL A 66 4.389 -16.078 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 66 6.205 -17.021 -11.672 1.00 0.00 H new ATOM 0 HB VAL A 66 3.962 -18.223 -12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.010 -16.816 -12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.524 -16.459 -11.045 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.956 -15.348 -12.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.698 -17.546 -14.421 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.658 -16.080 -14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.416 -17.685 -13.978 1.00 0.00 H new ATOM 980 N ASP A 67 5.611 -14.752 -12.984 1.00 0.00 N ATOM 981 CA ASP A 67 5.740 -13.330 -13.366 1.00 0.00 C ATOM 982 C ASP A 67 4.472 -12.568 -13.027 1.00 0.00 C ATOM 983 O ASP A 67 3.505 -12.602 -13.762 1.00 0.00 O ATOM 984 CB ASP A 67 5.981 -13.254 -14.882 1.00 0.00 C ATOM 985 CG ASP A 67 7.381 -12.692 -15.140 1.00 0.00 C ATOM 986 OD1 ASP A 67 8.281 -13.145 -14.450 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.472 -11.842 -16.010 1.00 0.00 O ATOM 0 H ASP A 67 5.741 -15.420 -13.744 1.00 0.00 H new ATOM 0 HA ASP A 67 6.571 -12.885 -12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.885 -14.244 -15.328 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.229 -12.619 -15.351 1.00 0.00 H new ATOM 992 N TYR A 68 4.501 -11.895 -11.916 1.00 0.00 N ATOM 993 CA TYR A 68 3.315 -11.122 -11.503 1.00 0.00 C ATOM 994 C TYR A 68 3.436 -9.682 -11.971 1.00 0.00 C ATOM 995 O TYR A 68 4.464 -9.057 -11.787 1.00 0.00 O ATOM 996 CB TYR A 68 3.241 -11.142 -9.971 1.00 0.00 C ATOM 997 CG TYR A 68 2.073 -12.023 -9.527 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.816 -11.481 -9.350 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.263 -13.368 -9.284 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.234 -12.273 -8.936 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.212 -14.160 -8.870 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.044 -13.619 -8.693 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.096 -14.412 -8.275 1.00 0.00 O ATOM 0 H TYR A 68 5.297 -11.850 -11.279 1.00 0.00 H new ATOM 0 HA TYR A 68 2.420 -11.562 -11.943 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.175 -11.522 -9.556 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.112 -10.129 -9.590 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.654 -10.430 -9.537 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.242 -13.804 -9.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.213 -11.837 -8.801 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.374 -15.211 -8.683 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.727 -13.871 -7.756 1.00 0.00 H new ATOM 1013 N THR A 69 2.384 -9.183 -12.573 1.00 0.00 N ATOM 1014 CA THR A 69 2.412 -7.781 -13.065 1.00 0.00 C ATOM 1015 C THR A 69 1.444 -6.916 -12.279 1.00 0.00 C ATOM 1016 O THR A 69 0.282 -7.256 -12.140 1.00 0.00 O ATOM 1017 CB THR A 69 1.985 -7.778 -14.536 1.00 0.00 C ATOM 1018 OG1 THR A 69 3.180 -7.938 -15.273 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.459 -6.393 -14.951 1.00 0.00 C ATOM 0 H THR A 69 1.514 -9.687 -12.742 1.00 0.00 H new ATOM 0 HA THR A 69 3.419 -7.381 -12.945 1.00 0.00 H new ATOM 0 HB THR A 69 1.224 -8.541 -14.700 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.975 -7.946 -16.231 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.162 -6.416 -16.000 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.598 -6.131 -14.336 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.244 -5.649 -14.812 1.00 0.00 H new ATOM 1027 N ILE A 70 1.947 -5.817 -11.766 1.00 0.00 N ATOM 1028 CA ILE A 70 1.075 -4.903 -10.980 1.00 0.00 C ATOM 1029 C ILE A 70 0.912 -3.584 -11.705 1.00 0.00 C ATOM 1030 O ILE A 70 1.781 -3.164 -12.441 1.00 0.00 O ATOM 1031 CB ILE A 70 1.719 -4.647 -9.616 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.091 -4.035 -9.800 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.875 -5.990 -8.886 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.022 -2.545 -9.465 1.00 0.00 C ATOM 0 H ILE A 70 2.918 -5.520 -11.860 1.00 0.00 H new ATOM 0 HA ILE A 70 0.096 -5.365 -10.854 1.00 0.00 H new ATOM 0 HB ILE A 70 1.091 -3.966 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.815 -4.533 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.431 -4.175 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.333 -5.823 -7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.895 -6.448 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.508 -6.653 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.007 -2.097 -9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.310 -2.055 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.700 -2.419 -8.431 1.00 0.00 H new ATOM 1046 N THR A 71 -0.202 -2.953 -11.484 1.00 0.00 N ATOM 1047 CA THR A 71 -0.453 -1.656 -12.151 1.00 0.00 C ATOM 1048 C THR A 71 -1.196 -0.709 -11.234 1.00 0.00 C ATOM 1049 O THR A 71 -2.290 -1.007 -10.794 1.00 0.00 O ATOM 1050 CB THR A 71 -1.324 -1.914 -13.384 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.570 -2.777 -14.205 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.496 -0.634 -14.215 1.00 0.00 C ATOM 0 H THR A 71 -0.948 -3.281 -10.870 1.00 0.00 H new ATOM 0 HA THR A 71 0.502 -1.206 -12.421 1.00 0.00 H new ATOM 0 HB THR A 71 -2.296 -2.296 -13.072 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.078 -2.983 -15.017 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.119 -0.846 -15.084 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.972 0.134 -13.606 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.519 -0.281 -14.546 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.596 0.424 -10.965 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.269 1.405 -10.073 1.00 0.00 C ATOM 1062 C VAL A 72 -1.917 2.496 -10.906 1.00 0.00 C ATOM 1063 O VAL A 72 -1.359 2.928 -11.909 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.225 2.034 -9.127 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.373 0.943 -8.241 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.880 2.670 -9.948 1.00 0.00 C ATOM 0 H VAL A 72 0.318 0.706 -11.321 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.035 0.896 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.704 2.792 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.111 1.383 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.418 0.477 -7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.853 0.190 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.619 3.115 -9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.359 1.909 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.458 3.443 -10.589 1.00 0.00 H new ATOM 1076 N TYR A 73 -3.086 2.918 -10.486 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.802 3.982 -11.236 1.00 0.00 C ATOM 1078 C TYR A 73 -3.867 5.276 -10.436 1.00 0.00 C ATOM 1079 O TYR A 73 -4.717 5.446 -9.582 1.00 0.00 O ATOM 1080 CB TYR A 73 -5.234 3.483 -11.510 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.456 3.363 -13.005 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.844 2.361 -13.717 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -6.291 4.240 -13.660 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -5.059 2.232 -15.066 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.511 4.115 -15.009 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.896 3.107 -15.728 1.00 0.00 C ATOM 1087 OH TYR A 73 -6.108 2.984 -17.086 1.00 0.00 O ATOM 0 H TYR A 73 -3.569 2.569 -9.658 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.269 4.189 -12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.391 2.517 -11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.959 4.174 -11.079 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.188 1.668 -13.211 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.776 5.032 -13.109 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.570 1.440 -15.614 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.169 4.808 -15.512 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.726 3.683 -17.385 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.956 6.166 -10.722 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.945 7.455 -9.997 1.00 0.00 C ATOM 1099 C ALA A 74 -4.068 8.340 -10.516 1.00 0.00 C ATOM 1100 O ALA A 74 -3.892 9.069 -11.470 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.598 8.147 -10.261 1.00 0.00 C ATOM 0 H ALA A 74 -2.225 6.052 -11.424 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.084 7.284 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.570 9.101 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.787 7.512 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.481 8.320 -11.331 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.205 8.261 -9.879 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.349 9.095 -10.333 1.00 0.00 C ATOM 1109 C VAL A 75 -6.281 10.503 -9.760 1.00 0.00 C ATOM 1110 O VAL A 75 -6.373 10.695 -8.560 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.648 8.430 -9.862 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.817 8.977 -10.686 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.545 6.919 -10.075 1.00 0.00 C ATOM 0 H VAL A 75 -5.388 7.662 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.313 9.171 -11.420 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.810 8.642 -8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.745 8.509 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.886 10.056 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.653 8.756 -11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.466 6.441 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.390 6.710 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.705 6.527 -9.502 1.00 0.00 H new ATOM 1123 N THR A 76 -6.122 11.465 -10.643 1.00 0.00 N ATOM 1124 CA THR A 76 -6.043 12.885 -10.202 1.00 0.00 C ATOM 1125 C THR A 76 -7.171 13.694 -10.816 1.00 0.00 C ATOM 1126 O THR A 76 -7.747 14.555 -10.180 1.00 0.00 O ATOM 1127 CB THR A 76 -4.710 13.468 -10.681 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.468 12.864 -11.935 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.551 12.992 -9.792 1.00 0.00 C ATOM 0 H THR A 76 -6.044 11.321 -11.650 1.00 0.00 H new ATOM 0 HA THR A 76 -6.122 12.928 -9.116 1.00 0.00 H new ATOM 0 HB THR A 76 -4.764 14.557 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.513 12.920 -12.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.616 13.420 -10.153 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.724 13.314 -8.765 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.489 11.904 -9.826 1.00 0.00 H new ATOM 1137 N GLY A 77 -7.458 13.404 -12.044 1.00 0.00 N ATOM 1138 CA GLY A 77 -8.551 14.140 -12.742 1.00 0.00 C ATOM 1139 C GLY A 77 -8.153 15.599 -12.970 1.00 0.00 C ATOM 1140 O GLY A 77 -7.529 16.213 -12.128 1.00 0.00 O ATOM 0 H GLY A 77 -6.988 12.691 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.767 13.662 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.465 14.094 -12.149 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.520 16.123 -14.108 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.172 17.533 -14.404 1.00 0.00 C ATOM 1146 C ARG A 78 -9.150 18.484 -13.743 1.00 0.00 C ATOM 1147 O ARG A 78 -8.773 19.321 -12.947 1.00 0.00 O ATOM 1148 CB ARG A 78 -8.231 17.739 -15.925 1.00 0.00 C ATOM 1149 CG ARG A 78 -8.237 19.238 -16.229 1.00 0.00 C ATOM 1150 CD ARG A 78 -7.801 19.461 -17.679 1.00 0.00 C ATOM 1151 NE ARG A 78 -6.344 19.773 -17.706 1.00 0.00 N ATOM 1152 CZ ARG A 78 -5.948 21.006 -17.532 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -5.916 21.809 -18.560 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -5.596 21.393 -16.336 1.00 0.00 N ATOM 0 H ARG A 78 -9.041 15.637 -14.837 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.174 17.739 -14.019 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.375 17.262 -16.402 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.126 17.269 -16.333 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.234 19.649 -16.069 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.564 19.761 -15.550 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.006 18.572 -18.275 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.369 20.279 -18.121 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.662 19.030 -17.859 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.197 21.471 -19.480 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.610 22.775 -18.443 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.633 20.737 -15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.284 22.352 -16.181 1.00 0.00 H new ATOM 1168 N GLY A 79 -10.389 18.341 -14.085 1.00 0.00 N ATOM 1169 CA GLY A 79 -11.423 19.233 -13.484 1.00 0.00 C ATOM 1170 C GLY A 79 -12.609 19.406 -14.435 1.00 0.00 C ATOM 1171 O GLY A 79 -13.526 20.153 -14.152 1.00 0.00 O ATOM 0 H GLY A 79 -10.738 17.651 -14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.767 18.813 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.985 20.206 -13.260 1.00 0.00 H new ATOM 1175 N ASP A 80 -12.568 18.714 -15.542 1.00 0.00 N ATOM 1176 CA ASP A 80 -13.685 18.829 -16.517 1.00 0.00 C ATOM 1177 C ASP A 80 -13.991 17.482 -17.157 1.00 0.00 C ATOM 1178 O ASP A 80 -15.067 16.944 -16.985 1.00 0.00 O ATOM 1179 CB ASP A 80 -13.265 19.814 -17.619 1.00 0.00 C ATOM 1180 CG ASP A 80 -14.518 20.415 -18.264 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -15.261 19.634 -18.835 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -14.660 21.622 -18.148 1.00 0.00 O ATOM 0 H ASP A 80 -11.815 18.080 -15.810 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.577 19.177 -15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.643 20.605 -17.199 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.665 19.302 -18.371 1.00 0.00 H new ATOM 1187 N SER A 81 -13.035 16.963 -17.882 1.00 0.00 N ATOM 1188 CA SER A 81 -13.245 15.651 -18.545 1.00 0.00 C ATOM 1189 C SER A 81 -12.508 14.517 -17.773 1.00 0.00 C ATOM 1190 O SER A 81 -11.295 14.536 -17.696 1.00 0.00 O ATOM 1191 CB SER A 81 -12.631 15.742 -19.952 1.00 0.00 C ATOM 1192 OG SER A 81 -13.723 15.496 -20.826 1.00 0.00 O ATOM 0 H SER A 81 -12.123 17.392 -18.041 1.00 0.00 H new ATOM 0 HA SER A 81 -14.311 15.425 -18.574 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.191 16.723 -20.131 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.838 15.007 -20.089 1.00 0.00 H new ATOM 0 HG SER A 81 -13.414 15.538 -21.755 1.00 0.00 H new ATOM 1198 N PRO A 82 -13.241 13.537 -17.202 1.00 0.00 N ATOM 1199 CA PRO A 82 -12.582 12.456 -16.470 1.00 0.00 C ATOM 1200 C PRO A 82 -11.734 11.617 -17.418 1.00 0.00 C ATOM 1201 O PRO A 82 -12.236 10.732 -18.084 1.00 0.00 O ATOM 1202 CB PRO A 82 -13.733 11.598 -15.891 1.00 0.00 C ATOM 1203 CG PRO A 82 -15.069 12.184 -16.436 1.00 0.00 C ATOM 1204 CD PRO A 82 -14.719 13.443 -17.249 1.00 0.00 C ATOM 0 HA PRO A 82 -11.920 12.836 -15.692 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.622 10.555 -16.188 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.719 11.622 -14.801 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -15.582 11.453 -17.061 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -15.743 12.431 -15.616 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.076 13.361 -18.276 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.184 14.331 -16.820 1.00 0.00 H new ATOM 1212 N ALA A 83 -10.459 11.921 -17.465 1.00 0.00 N ATOM 1213 CA ALA A 83 -9.545 11.160 -18.362 1.00 0.00 C ATOM 1214 C ALA A 83 -8.454 10.458 -17.572 1.00 0.00 C ATOM 1215 O ALA A 83 -8.033 10.925 -16.532 1.00 0.00 O ATOM 1216 CB ALA A 83 -8.885 12.156 -19.326 1.00 0.00 C ATOM 0 H ALA A 83 -10.017 12.662 -16.921 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.123 10.406 -18.896 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.210 11.622 -19.995 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.654 12.659 -19.913 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.322 12.895 -18.756 1.00 0.00 H new ATOM 1222 N SER A 84 -8.012 9.343 -18.083 1.00 0.00 N ATOM 1223 CA SER A 84 -6.948 8.590 -17.381 1.00 0.00 C ATOM 1224 C SER A 84 -5.657 9.399 -17.327 1.00 0.00 C ATOM 1225 O SER A 84 -5.171 9.864 -18.339 1.00 0.00 O ATOM 1226 CB SER A 84 -6.686 7.294 -18.161 1.00 0.00 C ATOM 1227 OG SER A 84 -6.495 7.727 -19.499 1.00 0.00 O ATOM 0 H SER A 84 -8.343 8.926 -18.953 1.00 0.00 H new ATOM 0 HA SER A 84 -7.270 8.380 -16.361 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.808 6.771 -17.782 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.526 6.604 -18.081 1.00 0.00 H new ATOM 0 HG SER A 84 -6.112 8.629 -19.499 1.00 0.00 H new ATOM 1233 N SER A 85 -5.126 9.554 -16.146 1.00 0.00 N ATOM 1234 CA SER A 85 -3.869 10.328 -16.008 1.00 0.00 C ATOM 1235 C SER A 85 -2.717 9.610 -16.697 1.00 0.00 C ATOM 1236 O SER A 85 -2.664 9.541 -17.910 1.00 0.00 O ATOM 1237 CB SER A 85 -3.547 10.463 -14.512 1.00 0.00 C ATOM 1238 OG SER A 85 -4.459 11.446 -14.047 1.00 0.00 O ATOM 0 H SER A 85 -5.508 9.179 -15.278 1.00 0.00 H new ATOM 0 HA SER A 85 -3.997 11.307 -16.471 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.681 9.516 -13.989 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.514 10.772 -14.353 1.00 0.00 H new ATOM 0 HG SER A 85 -4.225 11.702 -13.131 1.00 0.00 H new ATOM 1244 N LYS A 86 -1.813 9.090 -15.910 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.653 8.368 -16.495 1.00 0.00 C ATOM 1246 C LYS A 86 -0.319 7.114 -15.678 1.00 0.00 C ATOM 1247 O LYS A 86 0.747 7.012 -15.103 1.00 0.00 O ATOM 1248 CB LYS A 86 0.565 9.308 -16.465 1.00 0.00 C ATOM 1249 CG LYS A 86 1.766 8.589 -17.110 1.00 0.00 C ATOM 1250 CD LYS A 86 2.425 9.502 -18.158 1.00 0.00 C ATOM 1251 CE LYS A 86 1.589 9.485 -19.441 1.00 0.00 C ATOM 1252 NZ LYS A 86 1.811 10.732 -20.228 1.00 0.00 N ATOM 0 H LYS A 86 -1.830 9.135 -14.891 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.899 8.068 -17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.344 10.229 -17.004 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.800 9.588 -15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.492 8.318 -16.344 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.436 7.662 -17.579 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.502 10.519 -17.774 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.439 9.162 -18.367 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.855 8.616 -20.043 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.532 9.389 -19.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.236 10.703 -21.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.535 11.556 -19.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.817 10.808 -20.482 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.250 6.170 -15.641 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.047 4.928 -14.896 1.00 0.00 C ATOM 1268 C PRO A 87 0.226 4.223 -15.335 1.00 0.00 C ATOM 1269 O PRO A 87 0.716 4.459 -16.421 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.266 4.057 -15.248 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.256 4.947 -16.059 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.543 6.277 -16.345 1.00 0.00 C ATOM 0 HA PRO A 87 -0.950 5.116 -13.827 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.962 3.190 -15.834 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.742 3.680 -14.343 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.541 4.456 -16.989 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.173 5.116 -15.494 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.400 6.427 -17.415 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.124 7.124 -15.979 1.00 0.00 H new ATOM 1280 N ILE A 88 0.750 3.370 -14.489 1.00 0.00 N ATOM 1281 CA ILE A 88 1.996 2.654 -14.873 1.00 0.00 C ATOM 1282 C ILE A 88 2.014 1.247 -14.300 1.00 0.00 C ATOM 1283 O ILE A 88 1.360 0.968 -13.314 1.00 0.00 O ATOM 1284 CB ILE A 88 3.200 3.442 -14.333 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.438 3.141 -15.178 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.477 3.006 -12.880 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.636 4.269 -16.193 1.00 0.00 C ATOM 0 H ILE A 88 0.375 3.144 -13.568 1.00 0.00 H new ATOM 0 HA ILE A 88 2.043 2.579 -15.959 1.00 0.00 H new ATOM 0 HB ILE A 88 2.979 4.508 -14.374 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.317 3.051 -14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.319 2.188 -15.693 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.330 3.561 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.600 3.210 -12.266 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.697 1.939 -12.856 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.517 4.062 -16.800 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.759 4.337 -16.837 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.772 5.213 -15.666 1.00 0.00 H new ATOM 1299 N SER A 89 2.770 0.386 -14.923 1.00 0.00 N ATOM 1300 CA SER A 89 2.843 -1.009 -14.430 1.00 0.00 C ATOM 1301 C SER A 89 4.238 -1.593 -14.629 1.00 0.00 C ATOM 1302 O SER A 89 5.004 -1.117 -15.443 1.00 0.00 O ATOM 1303 CB SER A 89 1.845 -1.857 -15.230 1.00 0.00 C ATOM 1304 OG SER A 89 2.463 -2.016 -16.498 1.00 0.00 O ATOM 0 H SER A 89 3.336 0.590 -15.747 1.00 0.00 H new ATOM 0 HA SER A 89 2.611 -1.016 -13.365 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.666 -2.819 -14.751 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.879 -1.359 -15.317 1.00 0.00 H new ATOM 0 HG SER A 89 1.885 -2.554 -17.078 1.00 0.00 H new ATOM 1310 N ILE A 90 4.532 -2.630 -13.885 1.00 0.00 N ATOM 1311 CA ILE A 90 5.867 -3.275 -14.003 1.00 0.00 C ATOM 1312 C ILE A 90 5.768 -4.777 -13.712 1.00 0.00 C ATOM 1313 O ILE A 90 4.929 -5.203 -12.944 1.00 0.00 O ATOM 1314 CB ILE A 90 6.807 -2.635 -12.974 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.010 -2.187 -11.749 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.468 -1.399 -13.620 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.921 -2.197 -10.518 1.00 0.00 C ATOM 0 H ILE A 90 3.903 -3.054 -13.203 1.00 0.00 H new ATOM 0 HA ILE A 90 6.243 -3.136 -15.016 1.00 0.00 H new ATOM 0 HB ILE A 90 7.562 -3.358 -12.666 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.608 -1.187 -11.909 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.160 -2.851 -11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.141 -0.930 -12.903 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.033 -1.707 -14.500 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.697 -0.686 -13.914 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.354 -1.878 -9.643 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.302 -3.205 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.756 -1.515 -10.678 1.00 0.00 H new ATOM 1329 N ASN A 91 6.630 -5.550 -14.337 1.00 0.00 N ATOM 1330 CA ASN A 91 6.604 -7.019 -14.112 1.00 0.00 C ATOM 1331 C ASN A 91 7.704 -7.458 -13.150 1.00 0.00 C ATOM 1332 O ASN A 91 8.720 -6.805 -13.024 1.00 0.00 O ATOM 1333 CB ASN A 91 6.840 -7.709 -15.460 1.00 0.00 C ATOM 1334 CG ASN A 91 7.382 -6.692 -16.466 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.674 -5.820 -16.927 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.634 -6.766 -16.831 1.00 0.00 N ATOM 0 H ASN A 91 7.343 -5.222 -14.988 1.00 0.00 H new ATOM 0 HA ASN A 91 5.641 -7.289 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.546 -8.531 -15.341 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.909 -8.140 -15.828 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.011 -6.094 -17.499 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.235 -7.496 -16.448 1.00 0.00 H new ATOM 1343 N TYR A 92 7.477 -8.567 -12.491 1.00 0.00 N ATOM 1344 CA TYR A 92 8.491 -9.077 -11.529 1.00 0.00 C ATOM 1345 C TYR A 92 8.066 -10.432 -10.962 1.00 0.00 C ATOM 1346 O TYR A 92 6.927 -10.623 -10.588 1.00 0.00 O ATOM 1347 CB TYR A 92 8.620 -8.074 -10.372 1.00 0.00 C ATOM 1348 CG TYR A 92 9.534 -8.666 -9.299 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.855 -8.948 -9.583 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.054 -8.926 -8.032 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.682 -9.482 -8.617 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.881 -9.460 -7.066 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.202 -9.742 -7.351 1.00 0.00 C ATOM 1354 OH TYR A 92 12.031 -10.271 -6.383 1.00 0.00 O ATOM 0 H TYR A 92 6.635 -9.137 -12.580 1.00 0.00 H new ATOM 0 HA TYR A 92 9.442 -9.196 -12.048 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.028 -7.131 -10.735 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.638 -7.856 -9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.244 -8.749 -10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.023 -8.710 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.713 -9.698 -8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.492 -9.659 -6.078 1.00 0.00 H new ATOM 0 HH TYR A 92 11.528 -10.389 -5.550 1.00 0.00 H new ATOM 1364 N ARG A 93 8.997 -11.349 -10.912 1.00 0.00 N ATOM 1365 CA ARG A 93 8.675 -12.698 -10.375 1.00 0.00 C ATOM 1366 C ARG A 93 8.234 -12.623 -8.920 1.00 0.00 C ATOM 1367 O ARG A 93 9.054 -12.590 -8.024 1.00 0.00 O ATOM 1368 CB ARG A 93 9.938 -13.568 -10.462 1.00 0.00 C ATOM 1369 CG ARG A 93 11.176 -12.669 -10.447 1.00 0.00 C ATOM 1370 CD ARG A 93 12.387 -13.498 -10.024 1.00 0.00 C ATOM 1371 NE ARG A 93 12.216 -13.901 -8.601 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.151 -14.591 -8.015 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.390 -14.200 -8.134 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.815 -15.644 -7.325 1.00 0.00 N ATOM 0 H ARG A 93 9.961 -11.220 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 93 7.860 -13.122 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.971 -14.265 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.920 -14.165 -11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.341 -12.239 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.029 -11.838 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.481 -14.380 -10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.302 -12.919 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 93 11.373 -13.639 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.612 -13.367 -8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.137 -14.728 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.834 -15.914 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.533 -16.198 -6.858 1.00 0.00 H new ATOM 1388 N THR A 94 6.935 -12.597 -8.715 1.00 0.00 N ATOM 1389 CA THR A 94 6.400 -12.524 -7.323 1.00 0.00 C ATOM 1390 C THR A 94 5.500 -13.723 -7.030 1.00 0.00 C ATOM 1391 O THR A 94 5.264 -14.475 -7.973 1.00 0.00 O ATOM 1392 CB THR A 94 5.580 -11.233 -7.183 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.871 -10.482 -8.344 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.105 -10.362 -6.017 1.00 0.00 C ATOM 1395 OXT THR A 94 5.093 -13.826 -5.884 1.00 0.00 O ATOM 0 H THR A 94 6.229 -12.623 -9.451 1.00 0.00 H new ATOM 0 HA THR A 94 7.231 -12.531 -6.618 1.00 0.00 H new ATOM 0 HB THR A 94 4.530 -11.480 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.791 -10.149 -8.296 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.505 -9.455 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.035 -10.922 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.145 -10.095 -6.202 1.00 0.00 H new TER 1403 THR A 94