USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 22 SER OG : rot 131:sc= 1.55 USER MOD Set 1.2: A 45 TYR OH : rot -149:sc= 1.24 USER MOD Set 2.1: A 10 GLN : amide:sc= -4.25! C(o=-6.6!,f=-7.7!) USER MOD Set 2.2: A 84 HIS :FLIP no HD1:sc= -2.38 F(o=-8.1,f=-6.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 166:sc= -1.28 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.129 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -131:sc= 0.784 USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.0193 (180deg=-0.109) USER MOD Single : A 41 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -3.99! (180deg=-5.83!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.951 K(o=-0.95,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -3.04! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= -0.418 (180deg=-2.31!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 89 ASN : amide:sc= -1.42! C(o=-1.4!,f=-5.4!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0178 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.134 -18.431 0.297 1.00 0.00 N ATOM 2 CA MET A 1 7.966 -17.253 1.187 1.00 0.00 C ATOM 3 C MET A 1 8.924 -16.131 0.803 1.00 0.00 C ATOM 4 O MET A 1 9.912 -15.880 1.493 1.00 0.00 O ATOM 5 CB MET A 1 8.220 -17.692 2.630 1.00 0.00 C ATOM 6 CG MET A 1 7.816 -16.651 3.662 1.00 0.00 C ATOM 7 SD MET A 1 7.517 -17.370 5.289 1.00 0.00 S ATOM 8 CE MET A 1 5.899 -16.698 5.664 1.00 0.00 C ATOM 0 H1 MET A 1 7.470 -19.179 0.582 1.00 0.00 H new ATOM 0 H2 MET A 1 7.942 -18.153 -0.687 1.00 0.00 H new ATOM 0 H3 MET A 1 9.108 -18.787 0.372 1.00 0.00 H new ATOM 0 HA MET A 1 6.951 -16.869 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.672 -18.614 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.279 -17.920 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.600 -15.898 3.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.915 -16.139 3.323 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.576 -17.053 6.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.950 -15.609 5.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.186 -17.023 4.906 1.00 0.00 H new ATOM 18 N LEU A 2 8.625 -15.459 -0.303 1.00 0.00 N ATOM 19 CA LEU A 2 9.459 -14.363 -0.780 1.00 0.00 C ATOM 20 C LEU A 2 8.697 -13.043 -0.727 1.00 0.00 C ATOM 21 O LEU A 2 7.476 -13.013 -0.883 1.00 0.00 O ATOM 22 CB LEU A 2 9.937 -14.640 -2.206 1.00 0.00 C ATOM 23 CG LEU A 2 10.762 -15.918 -2.376 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.753 -16.371 -3.828 1.00 0.00 C ATOM 25 CD2 LEU A 2 12.189 -15.700 -1.892 1.00 0.00 C ATOM 0 H LEU A 2 7.811 -15.654 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 2 10.328 -14.286 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.067 -14.698 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.534 -13.793 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 2 10.309 -16.703 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.345 -17.281 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.728 -16.568 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.180 -15.589 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.761 -16.619 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.652 -14.901 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.177 -15.424 -0.838 1.00 0.00 H new ATOM 37 N THR A 3 9.424 -11.954 -0.500 1.00 0.00 N ATOM 38 CA THR A 3 8.815 -10.632 -0.419 1.00 0.00 C ATOM 39 C THR A 3 8.498 -10.080 -1.807 1.00 0.00 C ATOM 40 O THR A 3 9.396 -9.865 -2.621 1.00 0.00 O ATOM 41 CB THR A 3 9.729 -9.637 0.327 1.00 0.00 C ATOM 42 OG1 THR A 3 8.982 -8.530 0.846 1.00 0.00 O ATOM 43 CG2 THR A 3 10.817 -9.095 -0.591 1.00 0.00 C ATOM 0 H THR A 3 10.436 -11.961 -0.369 1.00 0.00 H new ATOM 0 HA THR A 3 7.885 -10.747 0.138 1.00 0.00 H new ATOM 0 HB THR A 3 10.183 -10.188 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.587 -7.918 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.445 -8.397 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.428 -9.920 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.358 -8.580 -1.435 1.00 0.00 H new ATOM 51 N PRO A 4 7.209 -9.843 -2.090 1.00 0.00 N ATOM 52 CA PRO A 4 6.767 -9.311 -3.384 1.00 0.00 C ATOM 53 C PRO A 4 7.497 -8.027 -3.762 1.00 0.00 C ATOM 54 O PRO A 4 7.872 -7.238 -2.894 1.00 0.00 O ATOM 55 CB PRO A 4 5.278 -9.027 -3.163 1.00 0.00 C ATOM 56 CG PRO A 4 4.874 -9.931 -2.050 1.00 0.00 C ATOM 57 CD PRO A 4 6.084 -10.074 -1.169 1.00 0.00 C ATOM 0 HA PRO A 4 6.968 -10.007 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.110 -7.982 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.700 -9.228 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.034 -9.514 -1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.553 -10.900 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.076 -9.349 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.134 -11.063 -0.714 1.00 0.00 H new ATOM 65 N ALA A 5 7.687 -7.817 -5.060 1.00 0.00 N ATOM 66 CA ALA A 5 8.363 -6.621 -5.545 1.00 0.00 C ATOM 67 C ALA A 5 7.394 -5.447 -5.595 1.00 0.00 C ATOM 68 O ALA A 5 7.162 -4.861 -6.653 1.00 0.00 O ATOM 69 CB ALA A 5 8.978 -6.858 -6.917 1.00 0.00 C ATOM 0 H ALA A 5 7.383 -8.458 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 5 9.168 -6.383 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.476 -5.949 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.705 -7.668 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.194 -7.127 -7.625 1.00 0.00 H new ATOM 75 N PHE A 6 6.822 -5.117 -4.442 1.00 0.00 N ATOM 76 CA PHE A 6 5.869 -4.022 -4.341 1.00 0.00 C ATOM 77 C PHE A 6 6.515 -2.686 -4.692 1.00 0.00 C ATOM 78 O PHE A 6 7.738 -2.568 -4.746 1.00 0.00 O ATOM 79 CB PHE A 6 5.296 -3.965 -2.925 1.00 0.00 C ATOM 80 CG PHE A 6 6.255 -3.411 -1.911 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.416 -2.041 -1.765 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.996 -4.258 -1.103 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.297 -1.530 -0.832 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.879 -3.753 -0.169 1.00 0.00 C ATOM 85 CZ PHE A 6 8.030 -2.387 -0.032 1.00 0.00 C ATOM 0 H PHE A 6 7.004 -5.597 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 6 5.067 -4.205 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.394 -3.354 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.999 -4.969 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.846 -1.367 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.882 -5.327 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.413 -0.461 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.451 -4.425 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.719 -1.989 0.698 1.00 0.00 H new ATOM 95 N ASP A 7 5.677 -1.681 -4.925 1.00 0.00 N ATOM 96 CA ASP A 7 6.152 -0.346 -5.267 1.00 0.00 C ATOM 97 C ASP A 7 5.184 0.715 -4.753 1.00 0.00 C ATOM 98 O ASP A 7 3.974 0.497 -4.718 1.00 0.00 O ATOM 99 CB ASP A 7 6.316 -0.209 -6.781 1.00 0.00 C ATOM 100 CG ASP A 7 6.646 1.210 -7.202 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.623 1.776 -6.667 1.00 0.00 O ATOM 102 OD2 ASP A 7 5.926 1.755 -8.066 1.00 0.00 O ATOM 0 H ASP A 7 4.662 -1.767 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 7 7.121 -0.197 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.107 -0.879 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.397 -0.526 -7.273 1.00 0.00 H new ATOM 107 N LEU A 8 5.722 1.862 -4.356 1.00 0.00 N ATOM 108 CA LEU A 8 4.897 2.949 -3.846 1.00 0.00 C ATOM 109 C LEU A 8 4.986 4.178 -4.747 1.00 0.00 C ATOM 110 O LEU A 8 6.070 4.568 -5.180 1.00 0.00 O ATOM 111 CB LEU A 8 5.317 3.313 -2.420 1.00 0.00 C ATOM 112 CG LEU A 8 5.882 2.156 -1.594 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.686 2.687 -0.418 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.758 1.250 -1.109 1.00 0.00 C ATOM 0 H LEU A 8 6.722 2.063 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 8 3.862 2.607 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.066 4.103 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.453 3.724 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 8 6.547 1.569 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.081 1.851 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.512 3.296 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.043 3.295 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.177 0.432 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.069 1.824 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.222 0.844 -1.967 1.00 0.00 H new ATOM 126 N SER A 9 3.836 4.785 -5.016 1.00 0.00 N ATOM 127 CA SER A 9 3.768 5.976 -5.857 1.00 0.00 C ATOM 128 C SER A 9 2.758 6.957 -5.289 1.00 0.00 C ATOM 129 O SER A 9 1.646 6.573 -4.923 1.00 0.00 O ATOM 130 CB SER A 9 3.389 5.602 -7.291 1.00 0.00 C ATOM 131 OG SER A 9 4.542 5.386 -8.086 1.00 0.00 O ATOM 0 H SER A 9 2.933 4.470 -4.662 1.00 0.00 H new ATOM 0 HA SER A 9 4.751 6.446 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.775 4.702 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.785 6.397 -7.729 1.00 0.00 H new ATOM 0 HG SER A 9 4.271 5.147 -8.997 1.00 0.00 H new ATOM 137 N GLN A 10 3.149 8.222 -5.187 1.00 0.00 N ATOM 138 CA GLN A 10 2.268 9.234 -4.631 1.00 0.00 C ATOM 139 C GLN A 10 2.173 10.466 -5.522 1.00 0.00 C ATOM 140 O GLN A 10 3.163 10.925 -6.091 1.00 0.00 O ATOM 141 CB GLN A 10 2.765 9.640 -3.245 1.00 0.00 C ATOM 142 CG GLN A 10 3.943 10.603 -3.279 1.00 0.00 C ATOM 143 CD GLN A 10 5.131 10.046 -4.042 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.210 10.171 -5.264 1.00 0.00 O ATOM 145 NE2 GLN A 10 6.061 9.430 -3.322 1.00 0.00 N ATOM 0 H GLN A 10 4.063 8.566 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 10 1.270 8.801 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.945 10.101 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.054 8.744 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.628 11.540 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.248 10.835 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.953 9.350 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.883 9.037 -3.780 1.00 0.00 H new ATOM 154 N ASP A 11 0.964 11.006 -5.612 1.00 0.00 N ATOM 155 CA ASP A 11 0.695 12.199 -6.399 1.00 0.00 C ATOM 156 C ASP A 11 0.361 13.364 -5.473 1.00 0.00 C ATOM 157 O ASP A 11 0.011 13.165 -4.310 1.00 0.00 O ATOM 158 CB ASP A 11 -0.458 11.954 -7.376 1.00 0.00 C ATOM 159 CG ASP A 11 -0.027 12.104 -8.823 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.978 11.474 -9.213 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.696 12.852 -9.566 1.00 0.00 O ATOM 0 H ASP A 11 0.143 10.627 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 11 1.586 12.444 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.857 10.952 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.266 12.655 -7.165 1.00 0.00 H new ATOM 166 N PRO A 12 0.472 14.600 -5.976 1.00 0.00 N ATOM 167 CA PRO A 12 0.194 15.811 -5.191 1.00 0.00 C ATOM 168 C PRO A 12 -1.249 15.901 -4.689 1.00 0.00 C ATOM 169 O PRO A 12 -1.601 16.841 -3.976 1.00 0.00 O ATOM 170 CB PRO A 12 0.488 16.953 -6.170 1.00 0.00 C ATOM 171 CG PRO A 12 0.431 16.335 -7.526 1.00 0.00 C ATOM 172 CD PRO A 12 0.890 14.917 -7.350 1.00 0.00 C ATOM 0 HA PRO A 12 0.797 15.833 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.245 17.754 -6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.467 17.392 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.581 16.371 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.073 16.869 -8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.426 14.250 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.969 14.824 -7.475 1.00 0.00 H new ATOM 180 N ASP A 13 -2.082 14.923 -5.041 1.00 0.00 N ATOM 181 CA ASP A 13 -3.473 14.915 -4.595 1.00 0.00 C ATOM 182 C ASP A 13 -3.903 13.524 -4.124 1.00 0.00 C ATOM 183 O ASP A 13 -5.065 13.323 -3.772 1.00 0.00 O ATOM 184 CB ASP A 13 -4.397 15.379 -5.720 1.00 0.00 C ATOM 185 CG ASP A 13 -4.071 16.779 -6.196 1.00 0.00 C ATOM 186 OD1 ASP A 13 -2.909 17.018 -6.586 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.978 17.639 -6.179 1.00 0.00 O ATOM 0 H ASP A 13 -1.820 14.132 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.549 15.603 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.320 14.686 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.430 15.347 -5.374 1.00 0.00 H new ATOM 192 N PHE A 14 -2.963 12.576 -4.106 1.00 0.00 N ATOM 193 CA PHE A 14 -3.264 11.207 -3.673 1.00 0.00 C ATOM 194 C PHE A 14 -2.000 10.375 -3.465 1.00 0.00 C ATOM 195 O PHE A 14 -0.904 10.774 -3.843 1.00 0.00 O ATOM 196 CB PHE A 14 -4.141 10.489 -4.710 1.00 0.00 C ATOM 197 CG PHE A 14 -5.345 11.264 -5.159 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.253 12.179 -6.196 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.572 11.077 -4.543 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.362 12.892 -6.611 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.684 11.787 -4.953 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.579 12.696 -5.988 1.00 0.00 C ATOM 0 H PHE A 14 -1.993 12.728 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.790 11.297 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.531 10.255 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.473 9.540 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.303 12.337 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.660 10.368 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.277 13.601 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.635 11.632 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.447 13.252 -6.309 1.00 0.00 H new ATOM 212 N LEU A 15 -2.188 9.201 -2.867 1.00 0.00 N ATOM 213 CA LEU A 15 -1.100 8.260 -2.606 1.00 0.00 C ATOM 214 C LEU A 15 -1.543 6.860 -3.004 1.00 0.00 C ATOM 215 O LEU A 15 -2.453 6.302 -2.391 1.00 0.00 O ATOM 216 CB LEU A 15 -0.718 8.269 -1.120 1.00 0.00 C ATOM 217 CG LEU A 15 0.227 7.146 -0.671 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.492 5.806 -0.649 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.451 7.084 -1.574 1.00 0.00 C ATOM 0 H LEU A 15 -3.100 8.874 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.230 8.559 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.251 9.226 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.631 8.209 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 15 0.558 7.367 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.200 5.027 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.331 5.855 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.860 5.574 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.109 6.282 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.137 6.892 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.985 8.033 -1.529 1.00 0.00 H new ATOM 231 N THR A 16 -0.915 6.282 -4.022 1.00 0.00 N ATOM 232 CA THR A 16 -1.285 4.945 -4.459 1.00 0.00 C ATOM 233 C THR A 16 -0.204 3.936 -4.101 1.00 0.00 C ATOM 234 O THR A 16 0.989 4.217 -4.217 1.00 0.00 O ATOM 235 CB THR A 16 -1.535 4.892 -5.977 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.508 5.864 -6.381 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.026 3.515 -6.395 1.00 0.00 C ATOM 0 H THR A 16 -0.158 6.713 -4.553 1.00 0.00 H new ATOM 0 HA THR A 16 -2.209 4.690 -3.940 1.00 0.00 H new ATOM 0 HB THR A 16 -0.584 5.111 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.484 5.965 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.196 3.501 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.276 2.767 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.958 3.288 -5.877 1.00 0.00 H new ATOM 245 N ILE A 17 -0.633 2.762 -3.665 1.00 0.00 N ATOM 246 CA ILE A 17 0.286 1.702 -3.289 1.00 0.00 C ATOM 247 C ILE A 17 0.192 0.544 -4.278 1.00 0.00 C ATOM 248 O ILE A 17 -0.851 0.335 -4.897 1.00 0.00 O ATOM 249 CB ILE A 17 -0.006 1.215 -1.857 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.027 2.414 -0.899 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.028 0.188 -1.416 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.497 2.075 0.498 1.00 0.00 C ATOM 0 H ILE A 17 -1.618 2.519 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 17 1.301 2.099 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.983 0.732 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.976 2.838 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.676 3.186 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.803 -0.143 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.002 -0.668 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.021 0.638 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.484 2.974 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.512 1.680 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.165 1.327 0.933 1.00 0.00 H new ATOM 264 N ALA A 18 1.285 -0.200 -4.436 1.00 0.00 N ATOM 265 CA ALA A 18 1.307 -1.322 -5.371 1.00 0.00 C ATOM 266 C ALA A 18 1.891 -2.576 -4.729 1.00 0.00 C ATOM 267 O ALA A 18 3.049 -2.592 -4.313 1.00 0.00 O ATOM 268 CB ALA A 18 2.089 -0.965 -6.625 1.00 0.00 C ATOM 0 H ALA A 18 2.160 -0.048 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 18 0.274 -1.534 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.092 -1.816 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.622 -0.110 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.115 -0.713 -6.355 1.00 0.00 H new ATOM 274 N ILE A 19 1.081 -3.627 -4.664 1.00 0.00 N ATOM 275 CA ILE A 19 1.509 -4.894 -4.086 1.00 0.00 C ATOM 276 C ILE A 19 1.286 -6.041 -5.066 1.00 0.00 C ATOM 277 O ILE A 19 0.190 -6.205 -5.601 1.00 0.00 O ATOM 278 CB ILE A 19 0.751 -5.196 -2.781 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.615 -3.925 -1.941 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.461 -6.288 -1.997 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.609 -3.916 -1.052 1.00 0.00 C ATOM 0 H ILE A 19 0.120 -3.625 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 19 2.573 -4.804 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.249 -5.551 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.505 -3.812 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.577 -3.062 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.913 -6.490 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.508 -7.196 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.472 -5.962 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.641 -2.985 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.506 -3.998 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.564 -4.759 -0.362 1.00 0.00 H new ATOM 293 N ARG A 20 2.328 -6.832 -5.305 1.00 0.00 N ATOM 294 CA ARG A 20 2.225 -7.956 -6.230 1.00 0.00 C ATOM 295 C ARG A 20 1.950 -9.261 -5.486 1.00 0.00 C ATOM 296 O ARG A 20 2.753 -9.701 -4.664 1.00 0.00 O ATOM 297 CB ARG A 20 3.515 -8.089 -7.042 1.00 0.00 C ATOM 298 CG ARG A 20 3.549 -7.216 -8.287 1.00 0.00 C ATOM 299 CD ARG A 20 4.975 -6.942 -8.739 1.00 0.00 C ATOM 300 NE ARG A 20 5.374 -7.805 -9.847 1.00 0.00 N ATOM 301 CZ ARG A 20 6.561 -7.741 -10.444 1.00 0.00 C ATOM 302 NH1 ARG A 20 7.463 -6.857 -10.039 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.848 -8.561 -11.446 1.00 0.00 N ATOM 0 H ARG A 20 3.246 -6.717 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 20 1.390 -7.761 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.362 -7.832 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.642 -9.131 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.000 -7.706 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.043 -6.272 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.065 -5.899 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.656 -7.091 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 20 4.704 -8.497 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.247 -6.225 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.373 -6.810 -10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.158 -9.243 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.759 -8.510 -11.902 1.00 0.00 H new ATOM 317 N VAL A 21 0.809 -9.874 -5.785 1.00 0.00 N ATOM 318 CA VAL A 21 0.424 -11.129 -5.150 1.00 0.00 C ATOM 319 C VAL A 21 0.525 -12.292 -6.131 1.00 0.00 C ATOM 320 O VAL A 21 -0.469 -12.702 -6.728 1.00 0.00 O ATOM 321 CB VAL A 21 -1.009 -11.066 -4.587 1.00 0.00 C ATOM 322 CG1 VAL A 21 -1.083 -10.097 -3.416 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.997 -10.673 -5.676 1.00 0.00 C ATOM 0 H VAL A 21 0.134 -9.521 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 21 1.118 -11.290 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.279 -12.058 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.103 -10.067 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.408 -10.428 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.791 -9.101 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.003 -10.634 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.731 -9.693 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.966 -11.410 -6.479 1.00 0.00 H new ATOM 333 N SER A 22 1.735 -12.819 -6.291 1.00 0.00 N ATOM 334 CA SER A 22 1.970 -13.933 -7.200 1.00 0.00 C ATOM 335 C SER A 22 0.988 -15.070 -6.938 1.00 0.00 C ATOM 336 O SER A 22 -0.072 -15.141 -7.559 1.00 0.00 O ATOM 337 CB SER A 22 3.405 -14.441 -7.054 1.00 0.00 C ATOM 338 OG SER A 22 3.693 -14.774 -5.707 1.00 0.00 O ATOM 0 H SER A 22 2.568 -12.491 -5.802 1.00 0.00 H new ATOM 0 HA SER A 22 1.818 -13.575 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.551 -15.316 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.102 -13.677 -7.400 1.00 0.00 H new ATOM 0 HG SER A 22 4.101 -15.664 -5.670 1.00 0.00 H new ATOM 344 N TYR A 23 1.347 -15.960 -6.017 1.00 0.00 N ATOM 345 CA TYR A 23 0.492 -17.092 -5.682 1.00 0.00 C ATOM 346 C TYR A 23 -0.975 -16.680 -5.685 1.00 0.00 C ATOM 347 O TYR A 23 -1.806 -17.307 -6.341 1.00 0.00 O ATOM 348 CB TYR A 23 0.868 -17.654 -4.310 1.00 0.00 C ATOM 349 CG TYR A 23 2.016 -18.638 -4.343 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.020 -18.532 -5.298 1.00 0.00 C ATOM 351 CD2 TYR A 23 2.097 -19.671 -3.418 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.072 -19.429 -5.329 1.00 0.00 C ATOM 353 CE2 TYR A 23 3.146 -20.571 -3.442 1.00 0.00 C ATOM 354 CZ TYR A 23 4.130 -20.446 -4.400 1.00 0.00 C ATOM 355 OH TYR A 23 5.177 -21.339 -4.425 1.00 0.00 O ATOM 0 H TYR A 23 2.221 -15.919 -5.492 1.00 0.00 H new ATOM 0 HA TYR A 23 0.640 -17.864 -6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.130 -16.828 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.005 -18.144 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.978 -17.737 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.327 -19.773 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.845 -19.333 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.195 -21.368 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 23 5.067 -21.992 -3.703 1.00 0.00 H new ATOM 365 N ALA A 24 -1.288 -15.626 -4.938 1.00 0.00 N ATOM 366 CA ALA A 24 -2.657 -15.136 -4.847 1.00 0.00 C ATOM 367 C ALA A 24 -3.563 -16.194 -4.227 1.00 0.00 C ATOM 368 O ALA A 24 -4.654 -16.466 -4.728 1.00 0.00 O ATOM 369 CB ALA A 24 -3.183 -14.726 -6.215 1.00 0.00 C ATOM 0 H ALA A 24 -0.612 -15.096 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.657 -14.255 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.207 -14.364 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.555 -13.934 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.164 -15.586 -6.885 1.00 0.00 H new ATOM 375 N ARG A 25 -3.092 -16.795 -3.139 1.00 0.00 N ATOM 376 CA ARG A 25 -3.843 -17.836 -2.447 1.00 0.00 C ATOM 377 C ARG A 25 -5.198 -17.321 -1.964 1.00 0.00 C ATOM 378 O ARG A 25 -6.220 -17.546 -2.611 1.00 0.00 O ATOM 379 CB ARG A 25 -3.034 -18.369 -1.264 1.00 0.00 C ATOM 380 CG ARG A 25 -2.465 -19.759 -1.499 1.00 0.00 C ATOM 381 CD ARG A 25 -1.449 -20.132 -0.433 1.00 0.00 C ATOM 382 NE ARG A 25 -0.581 -21.223 -0.865 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.967 -22.493 -0.921 1.00 0.00 C ATOM 384 NH1 ARG A 25 -2.201 -22.829 -0.569 1.00 0.00 N ATOM 385 NH2 ARG A 25 -0.121 -23.428 -1.330 1.00 0.00 N ATOM 0 H ARG A 25 -2.190 -16.577 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.024 -18.645 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.216 -17.680 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.669 -18.389 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.275 -20.489 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.995 -19.799 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.842 -19.260 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.970 -20.422 0.479 1.00 0.00 H new ATOM 0 HE ARG A 25 0.375 -20.998 -1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.855 -22.112 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.496 -23.804 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.828 -23.173 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.419 -24.402 -1.372 1.00 0.00 H new ATOM 399 N VAL A 26 -5.202 -16.638 -0.824 1.00 0.00 N ATOM 400 CA VAL A 26 -6.440 -16.104 -0.265 1.00 0.00 C ATOM 401 C VAL A 26 -7.299 -15.462 -1.350 1.00 0.00 C ATOM 402 O VAL A 26 -6.792 -14.743 -2.212 1.00 0.00 O ATOM 403 CB VAL A 26 -6.164 -15.069 0.842 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.284 -15.670 1.927 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.529 -13.817 0.258 1.00 0.00 C ATOM 0 H VAL A 26 -4.367 -16.442 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.978 -16.946 0.170 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.114 -14.786 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.100 -14.924 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.786 -16.532 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.335 -15.985 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.342 -13.098 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.587 -14.078 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.203 -13.376 -0.477 1.00 0.00 H new ATOM 415 N SER A 27 -8.600 -15.735 -1.309 1.00 0.00 N ATOM 416 CA SER A 27 -9.527 -15.191 -2.295 1.00 0.00 C ATOM 417 C SER A 27 -9.537 -13.666 -2.265 1.00 0.00 C ATOM 418 O SER A 27 -9.566 -13.019 -3.311 1.00 0.00 O ATOM 419 CB SER A 27 -10.940 -15.724 -2.049 1.00 0.00 C ATOM 420 OG SER A 27 -11.052 -16.298 -0.758 1.00 0.00 O ATOM 0 H SER A 27 -9.035 -16.329 -0.604 1.00 0.00 H new ATOM 0 HA SER A 27 -9.188 -15.511 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.661 -14.913 -2.154 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.187 -16.470 -2.805 1.00 0.00 H new ATOM 0 HG SER A 27 -11.965 -16.629 -0.625 1.00 0.00 H new ATOM 426 N GLU A 28 -9.514 -13.095 -1.065 1.00 0.00 N ATOM 427 CA GLU A 28 -9.522 -11.645 -0.913 1.00 0.00 C ATOM 428 C GLU A 28 -8.424 -11.191 0.042 1.00 0.00 C ATOM 429 O GLU A 28 -8.082 -11.898 0.989 1.00 0.00 O ATOM 430 CB GLU A 28 -10.884 -11.175 -0.399 1.00 0.00 C ATOM 431 CG GLU A 28 -11.138 -9.692 -0.613 1.00 0.00 C ATOM 432 CD GLU A 28 -12.190 -9.428 -1.671 1.00 0.00 C ATOM 433 OE1 GLU A 28 -12.117 -10.054 -2.749 1.00 0.00 O ATOM 434 OE2 GLU A 28 -13.088 -8.596 -1.422 1.00 0.00 O ATOM 0 H GLU A 28 -9.490 -13.613 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.335 -11.201 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.668 -11.745 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.957 -11.397 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.453 -9.242 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.207 -9.206 -0.903 1.00 0.00 H new ATOM 441 N PHE A 29 -7.875 -10.009 -0.215 1.00 0.00 N ATOM 442 CA PHE A 29 -6.816 -9.461 0.623 1.00 0.00 C ATOM 443 C PHE A 29 -7.379 -8.447 1.612 1.00 0.00 C ATOM 444 O PHE A 29 -8.526 -8.017 1.492 1.00 0.00 O ATOM 445 CB PHE A 29 -5.739 -8.808 -0.245 1.00 0.00 C ATOM 446 CG PHE A 29 -5.555 -9.483 -1.577 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.782 -10.843 -1.714 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.158 -8.757 -2.689 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.615 -11.468 -2.936 1.00 0.00 C ATOM 450 CE2 PHE A 29 -4.990 -9.377 -3.914 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.219 -10.734 -4.037 1.00 0.00 C ATOM 0 H PHE A 29 -8.146 -9.412 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.368 -10.279 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.999 -7.762 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.792 -8.820 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.093 -11.421 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.978 -7.696 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.794 -12.529 -3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.680 -8.801 -4.773 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.089 -11.220 -4.993 1.00 0.00 H new ATOM 461 N ASP A 30 -6.565 -8.066 2.590 1.00 0.00 N ATOM 462 CA ASP A 30 -6.983 -7.102 3.601 1.00 0.00 C ATOM 463 C ASP A 30 -6.162 -5.820 3.499 1.00 0.00 C ATOM 464 O ASP A 30 -4.932 -5.855 3.535 1.00 0.00 O ATOM 465 CB ASP A 30 -6.843 -7.704 5.000 1.00 0.00 C ATOM 466 CG ASP A 30 -7.602 -9.009 5.144 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.471 -9.287 4.291 1.00 0.00 O ATOM 468 OD2 ASP A 30 -7.328 -9.751 6.110 1.00 0.00 O ATOM 0 H ASP A 30 -5.612 -8.410 2.704 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.030 -6.857 3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.788 -7.874 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.209 -6.990 5.738 1.00 0.00 H new ATOM 473 N VAL A 31 -6.851 -4.690 3.370 1.00 0.00 N ATOM 474 CA VAL A 31 -6.184 -3.398 3.262 1.00 0.00 C ATOM 475 C VAL A 31 -6.667 -2.435 4.341 1.00 0.00 C ATOM 476 O VAL A 31 -7.839 -2.060 4.373 1.00 0.00 O ATOM 477 CB VAL A 31 -6.418 -2.758 1.882 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.332 -1.737 1.576 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.478 -3.826 0.800 1.00 0.00 C ATOM 0 H VAL A 31 -7.869 -4.643 3.338 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.118 -3.584 3.394 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.377 -2.240 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.514 -1.295 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.344 -0.955 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.359 -2.229 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.644 -3.354 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.537 -4.376 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.296 -4.514 1.013 1.00 0.00 H new ATOM 489 N TYR A 32 -5.755 -2.035 5.222 1.00 0.00 N ATOM 490 CA TYR A 32 -6.088 -1.112 6.303 1.00 0.00 C ATOM 491 C TYR A 32 -5.157 0.099 6.292 1.00 0.00 C ATOM 492 O TYR A 32 -3.937 -0.046 6.353 1.00 0.00 O ATOM 493 CB TYR A 32 -5.995 -1.822 7.656 1.00 0.00 C ATOM 494 CG TYR A 32 -7.175 -2.719 7.960 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.395 -3.883 7.234 1.00 0.00 C ATOM 496 CD2 TYR A 32 -8.066 -2.405 8.980 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.468 -4.707 7.513 1.00 0.00 C ATOM 498 CE2 TYR A 32 -9.142 -3.224 9.265 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.339 -4.374 8.529 1.00 0.00 C ATOM 500 OH TYR A 32 -10.409 -5.192 8.811 1.00 0.00 O ATOM 0 H TYR A 32 -4.780 -2.335 5.209 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.110 -0.767 6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.082 -2.418 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.908 -1.073 8.443 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.715 -4.148 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.915 -1.506 9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.624 -5.608 6.938 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.825 -2.965 10.060 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.923 -4.814 9.555 1.00 0.00 H new ATOM 510 N PHE A 33 -5.741 1.292 6.221 1.00 0.00 N ATOM 511 CA PHE A 33 -4.960 2.525 6.211 1.00 0.00 C ATOM 512 C PHE A 33 -5.520 3.522 7.220 1.00 0.00 C ATOM 513 O PHE A 33 -6.690 3.898 7.152 1.00 0.00 O ATOM 514 CB PHE A 33 -4.945 3.142 4.811 1.00 0.00 C ATOM 515 CG PHE A 33 -6.313 3.426 4.258 1.00 0.00 C ATOM 516 CD1 PHE A 33 -6.987 4.586 4.605 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.923 2.535 3.390 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.244 4.852 4.096 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.179 2.796 2.877 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.841 3.956 3.231 1.00 0.00 C ATOM 0 H PHE A 33 -6.750 1.431 6.170 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.936 2.281 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.375 4.071 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.422 2.468 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.525 5.290 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.411 1.626 3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.759 5.760 4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.643 2.094 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.823 4.162 2.832 1.00 0.00 H new ATOM 530 N GLU A 34 -4.680 3.941 8.162 1.00 0.00 N ATOM 531 CA GLU A 34 -5.096 4.887 9.191 1.00 0.00 C ATOM 532 C GLU A 34 -4.013 5.928 9.454 1.00 0.00 C ATOM 533 O GLU A 34 -2.902 5.590 9.861 1.00 0.00 O ATOM 534 CB GLU A 34 -5.424 4.146 10.489 1.00 0.00 C ATOM 535 CG GLU A 34 -4.218 3.477 11.127 1.00 0.00 C ATOM 536 CD GLU A 34 -4.603 2.325 12.034 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.292 1.399 11.558 1.00 0.00 O ATOM 538 OE2 GLU A 34 -4.217 2.350 13.222 1.00 0.00 O ATOM 0 H GLU A 34 -3.708 3.640 8.234 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.987 5.401 8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.858 4.849 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.183 3.391 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.553 3.112 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.659 4.216 11.701 1.00 0.00 H new ATOM 545 N GLY A 35 -4.342 7.195 9.225 1.00 0.00 N ATOM 546 CA GLY A 35 -3.384 8.259 9.452 1.00 0.00 C ATOM 547 C GLY A 35 -2.168 8.149 8.557 1.00 0.00 C ATOM 548 O GLY A 35 -2.044 8.880 7.581 1.00 0.00 O ATOM 0 H GLY A 35 -5.254 7.503 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.868 9.221 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.066 8.240 10.494 1.00 0.00 H new ATOM 552 N SER A 36 -1.270 7.231 8.888 1.00 0.00 N ATOM 553 CA SER A 36 -0.055 7.031 8.105 1.00 0.00 C ATOM 554 C SER A 36 0.443 5.598 8.242 1.00 0.00 C ATOM 555 O SER A 36 1.637 5.329 8.116 1.00 0.00 O ATOM 556 CB SER A 36 1.033 8.005 8.557 1.00 0.00 C ATOM 557 OG SER A 36 0.475 9.113 9.243 1.00 0.00 O ATOM 0 H SER A 36 -1.359 6.612 9.694 1.00 0.00 H new ATOM 0 HA SER A 36 -0.289 7.220 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.739 7.489 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.594 8.355 7.691 1.00 0.00 H new ATOM 0 HG SER A 36 0.839 9.944 8.872 1.00 0.00 H new ATOM 563 N ASP A 37 -0.483 4.681 8.504 1.00 0.00 N ATOM 564 CA ASP A 37 -0.139 3.274 8.662 1.00 0.00 C ATOM 565 C ASP A 37 -0.872 2.409 7.642 1.00 0.00 C ATOM 566 O ASP A 37 -2.088 2.231 7.725 1.00 0.00 O ATOM 567 CB ASP A 37 -0.471 2.805 10.079 1.00 0.00 C ATOM 568 CG ASP A 37 0.193 3.659 11.142 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.679 4.758 10.802 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.226 3.229 12.314 1.00 0.00 O ATOM 0 H ASP A 37 -1.476 4.888 8.611 1.00 0.00 H new ATOM 0 HA ASP A 37 0.932 3.169 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.551 2.827 10.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.154 1.769 10.199 1.00 0.00 H new ATOM 575 N PHE A 38 -0.124 1.869 6.687 1.00 0.00 N ATOM 576 CA PHE A 38 -0.700 1.014 5.655 1.00 0.00 C ATOM 577 C PHE A 38 -0.435 -0.455 5.968 1.00 0.00 C ATOM 578 O PHE A 38 0.706 -0.913 5.925 1.00 0.00 O ATOM 579 CB PHE A 38 -0.123 1.369 4.282 1.00 0.00 C ATOM 580 CG PHE A 38 -0.663 0.522 3.166 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.910 0.783 2.620 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.076 -0.537 2.662 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.409 0.005 1.593 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.418 -1.319 1.634 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.663 -1.047 1.099 1.00 0.00 C ATOM 0 H PHE A 38 0.883 2.008 6.605 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.777 1.179 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.336 2.416 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.961 1.264 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.498 1.604 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.049 -0.754 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.382 0.219 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.168 -2.141 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.052 -1.656 0.296 1.00 0.00 H new ATOM 595 N LYS A 39 -1.497 -1.185 6.288 1.00 0.00 N ATOM 596 CA LYS A 39 -1.381 -2.601 6.615 1.00 0.00 C ATOM 597 C LYS A 39 -2.074 -3.459 5.560 1.00 0.00 C ATOM 598 O LYS A 39 -3.267 -3.296 5.300 1.00 0.00 O ATOM 599 CB LYS A 39 -1.986 -2.894 7.995 1.00 0.00 C ATOM 600 CG LYS A 39 -2.203 -1.662 8.866 1.00 0.00 C ATOM 601 CD LYS A 39 -1.075 -1.479 9.867 1.00 0.00 C ATOM 602 CE LYS A 39 0.094 -0.723 9.257 1.00 0.00 C ATOM 603 NZ LYS A 39 1.234 -0.604 10.207 1.00 0.00 N ATOM 0 H LYS A 39 -2.448 -0.820 6.328 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.320 -2.851 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.942 -3.399 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.332 -3.587 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.276 -0.777 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.150 -1.754 9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.445 -0.938 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.736 -2.454 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.426 -1.235 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.234 0.272 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.468 0.400 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.970 -1.026 11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.061 -1.103 9.821 1.00 0.00 H new ATOM 617 N PHE A 40 -1.322 -4.373 4.958 1.00 0.00 N ATOM 618 CA PHE A 40 -1.867 -5.256 3.932 1.00 0.00 C ATOM 619 C PHE A 40 -1.651 -6.719 4.306 1.00 0.00 C ATOM 620 O PHE A 40 -0.515 -7.189 4.372 1.00 0.00 O ATOM 621 CB PHE A 40 -1.214 -4.964 2.581 1.00 0.00 C ATOM 622 CG PHE A 40 -1.793 -5.764 1.450 1.00 0.00 C ATOM 623 CD1 PHE A 40 -3.063 -5.487 0.967 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.070 -6.793 0.870 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.598 -6.223 -0.074 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.600 -7.532 -0.169 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.866 -7.247 -0.642 1.00 0.00 C ATOM 0 H PHE A 40 -0.334 -4.522 5.162 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.939 -5.071 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.321 -3.903 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.146 -5.169 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.640 -4.688 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.079 -7.020 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.588 -5.997 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.025 -8.332 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.283 -7.824 -1.454 1.00 0.00 H new ATOM 637 N TYR A 41 -2.744 -7.436 4.557 1.00 0.00 N ATOM 638 CA TYR A 41 -2.656 -8.843 4.932 1.00 0.00 C ATOM 639 C TYR A 41 -3.350 -9.740 3.912 1.00 0.00 C ATOM 640 O TYR A 41 -4.577 -9.833 3.881 1.00 0.00 O ATOM 641 CB TYR A 41 -3.273 -9.067 6.314 1.00 0.00 C ATOM 642 CG TYR A 41 -3.129 -7.887 7.248 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.876 -7.450 7.660 1.00 0.00 C ATOM 644 CD2 TYR A 41 -4.248 -7.213 7.721 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.743 -6.374 8.518 1.00 0.00 C ATOM 646 CE2 TYR A 41 -4.123 -6.137 8.577 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.869 -5.722 8.973 1.00 0.00 C ATOM 648 OH TYR A 41 -2.741 -4.650 9.826 1.00 0.00 O ATOM 0 H TYR A 41 -3.694 -7.068 4.508 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.599 -9.108 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.332 -9.297 6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.807 -9.939 6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.992 -7.959 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.232 -7.536 7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.762 -6.046 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.003 -5.623 8.935 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.630 -4.303 10.051 1.00 0.00 H new ATOM 658 N ALA A 42 -2.550 -10.414 3.096 1.00 0.00 N ATOM 659 CA ALA A 42 -3.064 -11.327 2.087 1.00 0.00 C ATOM 660 C ALA A 42 -2.207 -12.580 2.062 1.00 0.00 C ATOM 661 O ALA A 42 -0.997 -12.493 1.864 1.00 0.00 O ATOM 662 CB ALA A 42 -3.093 -10.673 0.713 1.00 0.00 C ATOM 0 H ALA A 42 -1.533 -10.343 3.115 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.090 -11.592 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.482 -11.381 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.735 -9.792 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.083 -10.377 0.430 1.00 0.00 H new ATOM 668 N LYS A 43 -2.830 -13.737 2.284 1.00 0.00 N ATOM 669 CA LYS A 43 -2.101 -15.002 2.305 1.00 0.00 C ATOM 670 C LYS A 43 -0.783 -14.824 3.065 1.00 0.00 C ATOM 671 O LYS A 43 -0.570 -13.788 3.695 1.00 0.00 O ATOM 672 CB LYS A 43 -1.877 -15.505 0.868 1.00 0.00 C ATOM 673 CG LYS A 43 -0.683 -14.884 0.152 1.00 0.00 C ATOM 674 CD LYS A 43 -1.028 -14.510 -1.281 1.00 0.00 C ATOM 675 CE LYS A 43 -1.497 -13.068 -1.386 1.00 0.00 C ATOM 676 NZ LYS A 43 -2.961 -12.978 -1.638 1.00 0.00 N ATOM 0 H LYS A 43 -3.833 -13.823 2.451 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.686 -15.759 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.745 -16.587 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.776 -15.307 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.354 -13.996 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.151 -15.586 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.154 -14.656 -1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.807 -15.175 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.254 -12.539 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.959 -12.569 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.161 -12.146 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.282 -13.836 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.464 -12.889 -0.732 1.00 0.00 H new ATOM 690 N PRO A 44 0.127 -15.816 3.042 1.00 0.00 N ATOM 691 CA PRO A 44 1.406 -15.706 3.752 1.00 0.00 C ATOM 692 C PRO A 44 2.069 -14.342 3.545 1.00 0.00 C ATOM 693 O PRO A 44 2.926 -13.928 4.327 1.00 0.00 O ATOM 694 CB PRO A 44 2.239 -16.822 3.126 1.00 0.00 C ATOM 695 CG PRO A 44 1.237 -17.859 2.752 1.00 0.00 C ATOM 696 CD PRO A 44 -0.006 -17.112 2.345 1.00 0.00 C ATOM 0 HA PRO A 44 1.294 -15.795 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.790 -16.467 2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.974 -17.213 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.604 -18.479 1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.034 -18.525 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.061 -16.983 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.910 -17.640 2.649 1.00 0.00 H new ATOM 704 N TYR A 45 1.653 -13.650 2.489 1.00 0.00 N ATOM 705 CA TYR A 45 2.181 -12.331 2.167 1.00 0.00 C ATOM 706 C TYR A 45 1.637 -11.267 3.116 1.00 0.00 C ATOM 707 O TYR A 45 0.443 -10.963 3.106 1.00 0.00 O ATOM 708 CB TYR A 45 1.825 -11.954 0.732 1.00 0.00 C ATOM 709 CG TYR A 45 2.542 -12.789 -0.305 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.885 -13.109 -0.153 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.878 -13.260 -1.433 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.548 -13.875 -1.093 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.536 -14.026 -2.376 1.00 0.00 C ATOM 714 CZ TYR A 45 3.869 -14.332 -2.202 1.00 0.00 C ATOM 715 OH TYR A 45 4.526 -15.096 -3.138 1.00 0.00 O ATOM 0 H TYR A 45 0.945 -13.986 1.837 1.00 0.00 H new ATOM 0 HA TYR A 45 3.264 -12.375 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.749 -12.061 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.065 -10.903 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.420 -12.753 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.834 -13.024 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.593 -14.114 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.008 -14.384 -3.247 1.00 0.00 H new ATOM 0 HH TYR A 45 4.136 -14.936 -4.023 1.00 0.00 H new ATOM 725 N PHE A 46 2.523 -10.690 3.916 1.00 0.00 N ATOM 726 CA PHE A 46 2.144 -9.642 4.855 1.00 0.00 C ATOM 727 C PHE A 46 2.938 -8.374 4.563 1.00 0.00 C ATOM 728 O PHE A 46 4.169 -8.394 4.560 1.00 0.00 O ATOM 729 CB PHE A 46 2.383 -10.095 6.296 1.00 0.00 C ATOM 730 CG PHE A 46 1.115 -10.350 7.062 1.00 0.00 C ATOM 731 CD1 PHE A 46 0.144 -11.199 6.556 1.00 0.00 C ATOM 732 CD2 PHE A 46 0.895 -9.739 8.285 1.00 0.00 C ATOM 733 CE1 PHE A 46 -1.023 -11.434 7.257 1.00 0.00 C ATOM 734 CE2 PHE A 46 -0.271 -9.969 8.991 1.00 0.00 C ATOM 735 CZ PHE A 46 -1.230 -10.819 8.476 1.00 0.00 C ATOM 0 H PHE A 46 3.514 -10.931 3.934 1.00 0.00 H new ATOM 0 HA PHE A 46 1.081 -9.434 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.983 -11.005 6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.966 -9.334 6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.301 -11.682 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.643 -9.075 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.773 -12.098 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.432 -9.485 9.943 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.141 -11.003 9.026 1.00 0.00 H new ATOM 745 N LEU A 47 2.236 -7.277 4.305 1.00 0.00 N ATOM 746 CA LEU A 47 2.902 -6.015 3.998 1.00 0.00 C ATOM 747 C LEU A 47 2.541 -4.918 4.994 1.00 0.00 C ATOM 748 O LEU A 47 1.415 -4.421 5.012 1.00 0.00 O ATOM 749 CB LEU A 47 2.555 -5.558 2.582 1.00 0.00 C ATOM 750 CG LEU A 47 3.718 -5.604 1.590 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.400 -4.780 0.353 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.995 -5.107 2.249 1.00 0.00 C ATOM 0 H LEU A 47 1.217 -7.234 4.302 1.00 0.00 H new ATOM 0 HA LEU A 47 3.975 -6.194 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.747 -6.182 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.175 -4.537 2.628 1.00 0.00 H new ATOM 0 HG LEU A 47 3.867 -6.639 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.240 -4.826 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.508 -5.179 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.224 -3.744 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.814 -5.146 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.855 -4.080 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.233 -5.739 3.105 1.00 0.00 H new ATOM 764 N ARG A 48 3.519 -4.534 5.806 1.00 0.00 N ATOM 765 CA ARG A 48 3.333 -3.480 6.794 1.00 0.00 C ATOM 766 C ARG A 48 4.260 -2.311 6.485 1.00 0.00 C ATOM 767 O ARG A 48 5.482 -2.444 6.551 1.00 0.00 O ATOM 768 CB ARG A 48 3.608 -4.010 8.201 1.00 0.00 C ATOM 769 CG ARG A 48 2.475 -3.749 9.179 1.00 0.00 C ATOM 770 CD ARG A 48 1.949 -5.044 9.776 1.00 0.00 C ATOM 771 NE ARG A 48 0.871 -4.808 10.732 1.00 0.00 N ATOM 772 CZ ARG A 48 0.594 -5.623 11.743 1.00 0.00 C ATOM 773 NH1 ARG A 48 1.308 -6.725 11.927 1.00 0.00 N ATOM 774 NH2 ARG A 48 -0.400 -5.337 12.573 1.00 0.00 N ATOM 0 H ARG A 48 4.454 -4.940 5.798 1.00 0.00 H new ATOM 0 HA ARG A 48 2.299 -3.138 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.791 -5.083 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.520 -3.550 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.825 -3.094 9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.666 -3.226 8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.589 -5.692 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.764 -5.572 10.272 1.00 0.00 H new ATOM 0 HE ARG A 48 0.299 -3.971 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.073 -6.949 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.092 -7.349 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.952 -4.491 12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.612 -5.963 13.349 1.00 0.00 H new ATOM 788 N LEU A 49 3.678 -1.170 6.133 1.00 0.00 N ATOM 789 CA LEU A 49 4.471 0.007 5.799 1.00 0.00 C ATOM 790 C LEU A 49 3.870 1.277 6.392 1.00 0.00 C ATOM 791 O LEU A 49 2.652 1.445 6.426 1.00 0.00 O ATOM 792 CB LEU A 49 4.578 0.150 4.280 1.00 0.00 C ATOM 793 CG LEU A 49 5.336 -0.976 3.575 1.00 0.00 C ATOM 794 CD1 LEU A 49 5.229 -0.829 2.066 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.794 -0.986 4.008 1.00 0.00 C ATOM 0 H LEU A 49 2.669 -1.035 6.072 1.00 0.00 H new ATOM 0 HA LEU A 49 5.464 -0.129 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.572 0.206 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.070 1.096 4.053 1.00 0.00 H new ATOM 0 HG LEU A 49 4.884 -1.926 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.774 -1.639 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.181 -0.870 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.655 0.127 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.320 -1.793 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.256 -0.033 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.852 -1.140 5.086 1.00 0.00 H new ATOM 807 N THR A 50 4.741 2.172 6.847 1.00 0.00 N ATOM 808 CA THR A 50 4.309 3.437 7.425 1.00 0.00 C ATOM 809 C THR A 50 4.465 4.570 6.414 1.00 0.00 C ATOM 810 O THR A 50 5.575 4.890 5.992 1.00 0.00 O ATOM 811 CB THR A 50 5.107 3.781 8.697 1.00 0.00 C ATOM 812 OG1 THR A 50 5.423 2.603 9.450 1.00 0.00 O ATOM 813 CG2 THR A 50 4.318 4.726 9.589 1.00 0.00 C ATOM 0 H THR A 50 5.753 2.043 6.826 1.00 0.00 H new ATOM 0 HA THR A 50 3.258 3.326 7.693 1.00 0.00 H new ATOM 0 HB THR A 50 6.031 4.260 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.931 2.853 10.250 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.900 4.955 10.481 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.107 5.648 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.380 4.253 9.880 1.00 0.00 H new ATOM 821 N LEU A 51 3.343 5.161 6.019 1.00 0.00 N ATOM 822 CA LEU A 51 3.350 6.246 5.045 1.00 0.00 C ATOM 823 C LEU A 51 3.823 7.558 5.665 1.00 0.00 C ATOM 824 O LEU A 51 3.415 7.923 6.767 1.00 0.00 O ATOM 825 CB LEU A 51 1.951 6.433 4.456 1.00 0.00 C ATOM 826 CG LEU A 51 1.393 5.222 3.708 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.008 5.514 3.198 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.313 4.835 2.560 1.00 0.00 C ATOM 0 H LEU A 51 2.416 4.906 6.359 1.00 0.00 H new ATOM 0 HA LEU A 51 4.049 5.973 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.265 6.689 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.972 7.283 3.774 1.00 0.00 H new ATOM 0 HG LEU A 51 1.338 4.382 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.391 4.642 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.661 5.743 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.022 6.367 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.901 3.971 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.400 5.671 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.299 4.585 2.952 1.00 0.00 H new ATOM 840 N PRO A 52 4.691 8.289 4.946 1.00 0.00 N ATOM 841 CA PRO A 52 5.220 9.573 5.405 1.00 0.00 C ATOM 842 C PRO A 52 4.234 10.711 5.178 1.00 0.00 C ATOM 843 O PRO A 52 4.327 11.442 4.193 1.00 0.00 O ATOM 844 CB PRO A 52 6.462 9.764 4.542 1.00 0.00 C ATOM 845 CG PRO A 52 6.168 9.036 3.277 1.00 0.00 C ATOM 846 CD PRO A 52 5.212 7.919 3.620 1.00 0.00 C ATOM 0 HA PRO A 52 5.422 9.578 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.653 10.820 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.349 9.362 5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.728 9.707 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.084 8.639 2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.411 7.839 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.718 6.954 3.645 1.00 0.00 H new ATOM 854 N GLY A 53 3.287 10.852 6.097 1.00 0.00 N ATOM 855 CA GLY A 53 2.288 11.897 5.984 1.00 0.00 C ATOM 856 C GLY A 53 0.931 11.444 6.481 1.00 0.00 C ATOM 857 O GLY A 53 0.843 10.653 7.420 1.00 0.00 O ATOM 0 H GLY A 53 3.193 10.259 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.610 12.769 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.207 12.209 4.943 1.00 0.00 H new ATOM 861 N ARG A 54 -0.132 11.938 5.853 1.00 0.00 N ATOM 862 CA ARG A 54 -1.481 11.561 6.254 1.00 0.00 C ATOM 863 C ARG A 54 -2.413 11.443 5.052 1.00 0.00 C ATOM 864 O ARG A 54 -2.386 12.273 4.143 1.00 0.00 O ATOM 865 CB ARG A 54 -2.049 12.564 7.260 1.00 0.00 C ATOM 866 CG ARG A 54 -0.986 13.319 8.042 1.00 0.00 C ATOM 867 CD ARG A 54 -0.541 12.541 9.270 1.00 0.00 C ATOM 868 NE ARG A 54 0.862 12.785 9.592 1.00 0.00 N ATOM 869 CZ ARG A 54 1.525 12.130 10.539 1.00 0.00 C ATOM 870 NH1 ARG A 54 0.911 11.198 11.255 1.00 0.00 N ATOM 871 NH2 ARG A 54 2.801 12.405 10.770 1.00 0.00 N ATOM 0 H ARG A 54 -0.086 12.593 5.073 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.415 10.582 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.675 13.282 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.695 12.035 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.126 13.510 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.377 14.290 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.162 12.820 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.694 11.475 9.099 1.00 0.00 H new ATOM 0 HE ARG A 54 1.361 13.498 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.071 10.984 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.420 10.695 11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.276 13.121 10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.308 11.901 11.498 1.00 0.00 H new ATOM 885 N ILE A 55 -3.242 10.401 5.062 1.00 0.00 N ATOM 886 CA ILE A 55 -4.193 10.161 3.983 1.00 0.00 C ATOM 887 C ILE A 55 -5.624 10.212 4.506 1.00 0.00 C ATOM 888 O ILE A 55 -5.962 9.534 5.475 1.00 0.00 O ATOM 889 CB ILE A 55 -3.943 8.794 3.317 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.548 8.758 2.685 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.012 8.499 2.275 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.328 9.820 1.629 1.00 0.00 C ATOM 0 H ILE A 55 -3.273 9.708 5.810 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.051 10.947 3.241 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.996 8.022 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.801 8.879 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.387 7.777 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.816 7.529 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.992 8.484 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.995 9.273 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.318 9.731 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.051 9.688 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.456 10.807 2.073 1.00 0.00 H new ATOM 904 N VAL A 56 -6.453 11.042 3.880 1.00 0.00 N ATOM 905 CA VAL A 56 -7.841 11.200 4.309 1.00 0.00 C ATOM 906 C VAL A 56 -8.580 9.868 4.353 1.00 0.00 C ATOM 907 O VAL A 56 -8.295 8.958 3.573 1.00 0.00 O ATOM 908 CB VAL A 56 -8.608 12.168 3.392 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.720 11.596 1.990 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.986 12.466 3.964 1.00 0.00 C ATOM 0 H VAL A 56 -6.190 11.614 3.077 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.801 11.613 5.317 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.052 13.104 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.265 12.294 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.722 11.437 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.253 10.646 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.514 13.152 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.552 11.539 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.881 12.921 4.949 1.00 0.00 H new ATOM 920 N GLU A 57 -9.540 9.767 5.269 1.00 0.00 N ATOM 921 CA GLU A 57 -10.338 8.556 5.419 1.00 0.00 C ATOM 922 C GLU A 57 -11.823 8.870 5.270 1.00 0.00 C ATOM 923 O GLU A 57 -12.334 9.806 5.884 1.00 0.00 O ATOM 924 CB GLU A 57 -10.077 7.905 6.779 1.00 0.00 C ATOM 925 CG GLU A 57 -9.375 8.819 7.772 1.00 0.00 C ATOM 926 CD GLU A 57 -9.438 8.294 9.193 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.148 7.096 9.397 1.00 0.00 O ATOM 928 OE2 GLU A 57 -9.777 9.081 10.101 1.00 0.00 O ATOM 0 H GLU A 57 -9.784 10.513 5.920 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.046 7.859 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.027 7.582 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.472 7.010 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.332 8.936 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.830 9.809 7.734 1.00 0.00 H new ATOM 935 N ASN A 58 -12.508 8.084 4.450 1.00 0.00 N ATOM 936 CA ASN A 58 -13.934 8.281 4.217 1.00 0.00 C ATOM 937 C ASN A 58 -14.525 7.097 3.458 1.00 0.00 C ATOM 938 O ASN A 58 -15.656 6.683 3.714 1.00 0.00 O ATOM 939 CB ASN A 58 -14.169 9.575 3.435 1.00 0.00 C ATOM 940 CG ASN A 58 -15.635 9.817 3.137 1.00 0.00 C ATOM 941 OD1 ASN A 58 -16.300 8.987 2.518 1.00 0.00 O ATOM 942 ND2 ASN A 58 -16.147 10.962 3.577 1.00 0.00 N ATOM 0 H ASN A 58 -12.100 7.304 3.935 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.432 8.356 5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.774 10.416 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.613 9.535 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.128 11.181 3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.559 11.621 4.086 1.00 0.00 H new ATOM 949 N GLY A 59 -13.748 6.553 2.527 1.00 0.00 N ATOM 950 CA GLY A 59 -14.205 5.421 1.746 1.00 0.00 C ATOM 951 C GLY A 59 -14.410 5.764 0.285 1.00 0.00 C ATOM 952 O GLY A 59 -14.949 4.961 -0.477 1.00 0.00 O ATOM 0 H GLY A 59 -12.808 6.878 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.479 4.612 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.142 5.051 2.163 1.00 0.00 H new ATOM 956 N SER A 60 -13.976 6.956 -0.112 1.00 0.00 N ATOM 957 CA SER A 60 -14.110 7.394 -1.495 1.00 0.00 C ATOM 958 C SER A 60 -12.799 7.203 -2.253 1.00 0.00 C ATOM 959 O SER A 60 -12.512 7.925 -3.208 1.00 0.00 O ATOM 960 CB SER A 60 -14.538 8.860 -1.551 1.00 0.00 C ATOM 961 OG SER A 60 -15.859 8.984 -2.046 1.00 0.00 O ATOM 0 H SER A 60 -13.529 7.635 0.504 1.00 0.00 H new ATOM 0 HA SER A 60 -14.877 6.784 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.476 9.299 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.853 9.419 -2.189 1.00 0.00 H new ATOM 0 HG SER A 60 -16.111 9.931 -2.071 1.00 0.00 H new ATOM 967 N GLU A 61 -12.007 6.224 -1.823 1.00 0.00 N ATOM 968 CA GLU A 61 -10.729 5.939 -2.466 1.00 0.00 C ATOM 969 C GLU A 61 -10.942 5.145 -3.750 1.00 0.00 C ATOM 970 O GLU A 61 -12.067 5.032 -4.239 1.00 0.00 O ATOM 971 CB GLU A 61 -9.803 5.169 -1.518 1.00 0.00 C ATOM 972 CG GLU A 61 -10.238 5.209 -0.060 1.00 0.00 C ATOM 973 CD GLU A 61 -10.977 3.953 0.362 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.311 2.996 0.812 1.00 0.00 O ATOM 975 OE2 GLU A 61 -12.220 3.927 0.245 1.00 0.00 O ATOM 0 H GLU A 61 -12.228 5.617 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.257 6.889 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.751 4.130 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.796 5.579 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.361 5.341 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.880 6.075 0.100 1.00 0.00 H new ATOM 982 N GLN A 62 -9.862 4.594 -4.295 1.00 0.00 N ATOM 983 CA GLN A 62 -9.949 3.811 -5.523 1.00 0.00 C ATOM 984 C GLN A 62 -9.089 2.555 -5.432 1.00 0.00 C ATOM 985 O GLN A 62 -7.892 2.628 -5.163 1.00 0.00 O ATOM 986 CB GLN A 62 -9.515 4.654 -6.725 1.00 0.00 C ATOM 987 CG GLN A 62 -10.631 5.508 -7.305 1.00 0.00 C ATOM 988 CD GLN A 62 -10.173 6.912 -7.644 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.212 7.810 -6.803 1.00 0.00 O ATOM 990 NE2 GLN A 62 -9.735 7.110 -8.882 1.00 0.00 N ATOM 0 H GLN A 62 -8.921 4.674 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.988 3.509 -5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.692 5.302 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.133 3.993 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.020 5.030 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.453 5.560 -6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.720 6.337 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.414 8.035 -9.167 1.00 0.00 H new ATOM 999 N GLY A 63 -9.709 1.402 -5.661 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.984 0.145 -5.604 1.00 0.00 C ATOM 1001 C GLY A 63 -9.125 -0.656 -6.882 1.00 0.00 C ATOM 1002 O GLY A 63 -10.208 -0.720 -7.462 1.00 0.00 O ATOM 0 H GLY A 63 -10.700 1.315 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.929 0.344 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.350 -0.446 -4.765 1.00 0.00 H new ATOM 1006 N SER A 64 -8.031 -1.266 -7.330 1.00 0.00 N ATOM 1007 CA SER A 64 -8.060 -2.058 -8.554 1.00 0.00 C ATOM 1008 C SER A 64 -6.909 -3.058 -8.602 1.00 0.00 C ATOM 1009 O SER A 64 -5.756 -2.687 -8.822 1.00 0.00 O ATOM 1010 CB SER A 64 -8.004 -1.139 -9.775 1.00 0.00 C ATOM 1011 OG SER A 64 -7.295 0.053 -9.484 1.00 0.00 O ATOM 0 H SER A 64 -7.122 -1.228 -6.868 1.00 0.00 H new ATOM 0 HA SER A 64 -8.994 -2.620 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.523 -1.659 -10.604 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.016 -0.894 -10.097 1.00 0.00 H new ATOM 0 HG SER A 64 -7.272 0.623 -10.281 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.234 -4.332 -8.404 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.233 -5.392 -8.435 1.00 0.00 C ATOM 1019 C TYR A 65 -6.408 -6.258 -9.679 1.00 0.00 C ATOM 1020 O TYR A 65 -7.527 -6.471 -10.145 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.325 -6.256 -7.177 1.00 0.00 C ATOM 1022 CG TYR A 65 -5.611 -7.583 -7.303 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.289 -7.642 -7.724 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.259 -8.774 -7.004 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -3.632 -8.853 -7.843 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -5.610 -9.988 -7.121 1.00 0.00 C ATOM 1027 CZ TYR A 65 -4.298 -10.022 -7.542 1.00 0.00 C ATOM 1028 OH TYR A 65 -3.647 -11.229 -7.661 1.00 0.00 O ATOM 0 H TYR A 65 -8.184 -4.655 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.247 -4.928 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.905 -5.705 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.375 -6.438 -6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.766 -6.728 -7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.287 -8.751 -6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.603 -8.883 -8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.128 -10.906 -6.884 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.256 -11.955 -7.410 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.296 -6.750 -10.217 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.334 -7.585 -11.412 1.00 0.00 C ATOM 1040 C ASP A 66 -4.672 -8.938 -11.165 1.00 0.00 C ATOM 1041 O ASP A 66 -3.524 -9.011 -10.725 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.642 -6.875 -12.575 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.571 -6.650 -13.751 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.356 -5.679 -13.710 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.515 -7.443 -14.713 1.00 0.00 O ATOM 0 H ASP A 66 -4.360 -6.585 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.380 -7.758 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.255 -5.915 -12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.786 -7.466 -12.900 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.407 -10.007 -11.450 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.903 -11.364 -11.264 1.00 0.00 C ATOM 1052 C ALA A 67 -4.054 -11.815 -12.452 1.00 0.00 C ATOM 1053 O ALA A 67 -3.039 -12.490 -12.283 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.049 -12.339 -11.040 1.00 0.00 C ATOM 0 H ALA A 67 -6.359 -9.960 -11.813 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.268 -11.357 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.650 -13.344 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.607 -12.046 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.712 -12.326 -11.905 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.494 -11.459 -13.655 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.797 -11.844 -14.879 1.00 0.00 C ATOM 1062 C ASP A 68 -2.320 -11.454 -14.846 1.00 0.00 C ATOM 1063 O ASP A 68 -1.451 -12.267 -15.160 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.472 -11.209 -16.094 1.00 0.00 C ATOM 1065 CG ASP A 68 -3.677 -11.412 -17.369 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -2.916 -12.399 -17.442 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -3.816 -10.585 -18.294 1.00 0.00 O ATOM 0 H ASP A 68 -5.334 -10.902 -13.809 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.852 -12.930 -14.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.467 -11.636 -16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.603 -10.141 -15.917 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.037 -10.209 -14.477 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.658 -9.731 -14.424 1.00 0.00 C ATOM 1074 C LYS A 69 -0.101 -9.802 -13.005 1.00 0.00 C ATOM 1075 O LYS A 69 1.114 -9.776 -12.804 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.565 -8.298 -14.954 1.00 0.00 C ATOM 1077 CG LYS A 69 -1.904 -7.585 -15.022 1.00 0.00 C ATOM 1078 CD LYS A 69 -1.740 -6.121 -15.392 1.00 0.00 C ATOM 1079 CE LYS A 69 -2.157 -5.209 -14.250 1.00 0.00 C ATOM 1080 NZ LYS A 69 -3.165 -4.202 -14.682 1.00 0.00 N ATOM 0 H LYS A 69 -2.737 -9.517 -14.212 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.057 -10.383 -15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.109 -7.727 -14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.122 -8.316 -15.950 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.542 -8.077 -15.756 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.408 -7.663 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.700 -5.925 -15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.339 -5.898 -16.275 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.568 -5.809 -13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.279 -4.697 -13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.423 -3.600 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.764 -3.612 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.013 -4.689 -15.035 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.992 -9.900 -12.024 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.562 -9.984 -10.640 1.00 0.00 C ATOM 1096 C GLY A 70 -0.039 -8.663 -10.102 1.00 0.00 C ATOM 1097 O GLY A 70 1.133 -8.555 -9.742 1.00 0.00 O ATOM 0 H GLY A 70 -2.002 -9.923 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.398 -10.316 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.218 -10.740 -10.552 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.910 -7.661 -10.041 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.530 -6.346 -9.536 1.00 0.00 C ATOM 1103 C ILE A 71 -1.739 -5.598 -8.983 1.00 0.00 C ATOM 1104 O ILE A 71 -2.707 -5.345 -9.700 1.00 0.00 O ATOM 1105 CB ILE A 71 0.139 -5.490 -10.629 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.483 -6.098 -11.030 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.324 -4.060 -10.141 1.00 0.00 C ATOM 1108 CD1 ILE A 71 2.289 -5.222 -11.965 1.00 0.00 C ATOM 0 H ILE A 71 -1.884 -7.734 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 71 0.188 -6.514 -8.733 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.508 -5.474 -11.506 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.068 -6.290 -10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.308 -7.062 -11.509 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.798 -3.467 -10.923 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.648 -3.630 -9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.955 -4.058 -9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.230 -5.717 -12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.723 -5.050 -12.881 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.495 -4.267 -11.482 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.678 -5.253 -7.700 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.771 -4.539 -7.046 1.00 0.00 C ATOM 1122 C PHE A 72 -2.371 -3.102 -6.720 1.00 0.00 C ATOM 1123 O PHE A 72 -1.368 -2.860 -6.047 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.193 -5.281 -5.771 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.815 -4.400 -4.723 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.781 -3.468 -5.065 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.431 -4.507 -3.396 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.353 -2.657 -4.102 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.000 -3.699 -2.429 1.00 0.00 C ATOM 1130 CZ PHE A 72 -4.962 -2.773 -2.782 1.00 0.00 C ATOM 0 H PHE A 72 -0.884 -5.456 -7.093 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.617 -4.503 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.902 -6.065 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.319 -5.773 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.091 -3.374 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.679 -5.229 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.105 -1.934 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.692 -3.792 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.408 -2.141 -2.028 1.00 0.00 H new ATOM 1140 N THR A 73 -3.166 -2.151 -7.204 1.00 0.00 N ATOM 1141 CA THR A 73 -2.904 -0.736 -6.972 1.00 0.00 C ATOM 1142 C THR A 73 -4.130 -0.040 -6.388 1.00 0.00 C ATOM 1143 O THR A 73 -5.228 -0.138 -6.936 1.00 0.00 O ATOM 1144 CB THR A 73 -2.496 -0.021 -8.273 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.439 -0.936 -9.375 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.135 0.641 -8.127 1.00 0.00 C ATOM 0 H THR A 73 -4.000 -2.337 -7.761 1.00 0.00 H new ATOM 0 HA THR A 73 -2.081 -0.678 -6.260 1.00 0.00 H new ATOM 0 HB THR A 73 -3.256 0.736 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.179 -0.454 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.871 1.139 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.172 1.375 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.386 -0.115 -7.894 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.939 0.656 -5.270 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.038 1.358 -4.615 1.00 0.00 C ATOM 1156 C ILE A 74 -4.690 2.821 -4.347 1.00 0.00 C ATOM 1157 O ILE A 74 -3.743 3.120 -3.620 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.409 0.678 -3.282 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.442 1.509 -2.515 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.161 0.462 -2.437 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.834 0.916 -2.542 1.00 0.00 C ATOM 0 H ILE A 74 -3.038 0.748 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.889 1.317 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.854 -0.292 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.119 1.610 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.475 2.513 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.436 -0.019 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.460 -0.173 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.692 1.424 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.513 1.556 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.177 0.841 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.815 -0.077 -2.092 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.469 3.729 -4.935 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.252 5.160 -4.756 1.00 0.00 C ATOM 1175 C ARG A 75 -5.885 5.638 -3.457 1.00 0.00 C ATOM 1176 O ARG A 75 -6.961 5.178 -3.072 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.836 5.939 -5.937 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.443 5.377 -7.294 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.738 6.364 -8.411 1.00 0.00 C ATOM 1180 NE ARG A 75 -5.149 7.677 -8.153 1.00 0.00 N ATOM 1181 CZ ARG A 75 -5.686 8.825 -8.559 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -6.827 8.832 -9.236 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -5.079 9.973 -8.286 1.00 0.00 N ATOM 0 H ARG A 75 -6.257 3.496 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.178 5.340 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.923 5.943 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.508 6.977 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.381 5.132 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.984 4.448 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.352 5.972 -9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.817 6.467 -8.528 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.274 7.715 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.299 7.953 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.232 9.716 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.202 9.975 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.490 10.853 -8.597 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.203 6.553 -2.776 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.693 7.077 -1.510 1.00 0.00 C ATOM 1199 C LEU A 76 -5.553 8.598 -1.432 1.00 0.00 C ATOM 1200 O LEU A 76 -4.446 9.130 -1.463 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.933 6.421 -0.360 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.929 4.892 -0.381 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.730 4.348 0.377 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.224 4.351 0.206 1.00 0.00 C ATOM 0 H LEU A 76 -4.312 6.945 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.755 6.842 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.902 6.773 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.368 6.756 0.582 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.854 4.562 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.746 3.258 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.812 4.709 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.770 4.686 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.206 3.261 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.327 4.692 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.068 4.712 -0.381 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.683 9.314 -1.318 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.692 10.780 -1.224 1.00 0.00 C ATOM 1218 C PRO A 77 -5.930 11.287 0.000 1.00 0.00 C ATOM 1219 O PRO A 77 -5.806 10.586 1.007 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.181 11.131 -1.118 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.849 9.870 -0.684 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.039 8.749 -1.265 1.00 0.00 C ATOM 0 HA PRO A 77 -6.198 11.243 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.347 11.932 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.574 11.476 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.885 9.802 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.879 9.832 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.080 7.856 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.396 8.464 -2.254 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.428 12.514 -0.082 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.684 13.101 1.026 1.00 0.00 C ATOM 1232 C LYS A 78 -5.589 13.937 1.923 1.00 0.00 C ATOM 1233 O LYS A 78 -6.617 14.453 1.481 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.547 13.975 0.498 1.00 0.00 C ATOM 1235 CG LYS A 78 -3.024 13.544 -0.862 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.563 13.923 -1.039 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.641 12.767 -0.686 1.00 0.00 C ATOM 1238 NZ LYS A 78 -0.036 12.151 -1.898 1.00 0.00 N ATOM 0 H LYS A 78 -5.522 13.118 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.273 12.282 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.894 15.006 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.726 13.959 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.138 12.466 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.620 14.009 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.387 14.228 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.330 14.781 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.150 13.122 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.201 12.011 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.105 11.115 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.544 12.478 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.964 12.428 -1.966 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.187 14.079 3.180 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.942 14.867 4.143 1.00 0.00 C ATOM 1254 C GLU A 79 -5.606 16.348 3.987 1.00 0.00 C ATOM 1255 O GLU A 79 -6.300 17.214 4.519 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.630 14.403 5.567 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.895 15.460 6.627 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.723 14.926 8.035 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.678 14.314 8.558 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -4.633 15.118 8.614 1.00 0.00 O ATOM 0 H GLU A 79 -4.338 13.656 3.556 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.006 14.725 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.228 13.519 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.584 14.102 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.217 16.300 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.909 15.843 6.508 1.00 0.00 H new ATOM 1267 N THR A 80 -4.531 16.624 3.256 1.00 0.00 N ATOM 1268 CA THR A 80 -4.086 17.991 3.024 1.00 0.00 C ATOM 1269 C THR A 80 -3.559 18.153 1.599 1.00 0.00 C ATOM 1270 O THR A 80 -2.569 17.528 1.220 1.00 0.00 O ATOM 1271 CB THR A 80 -2.982 18.393 4.022 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.478 18.419 5.365 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.414 19.764 3.692 1.00 0.00 C ATOM 0 H THR A 80 -3.949 15.913 2.812 1.00 0.00 H new ATOM 0 HA THR A 80 -4.947 18.643 3.168 1.00 0.00 H new ATOM 0 HB THR A 80 -2.197 17.642 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.756 18.675 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.638 20.020 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.987 19.749 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.210 20.508 3.736 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.219 18.996 0.792 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.817 19.240 -0.597 1.00 0.00 C ATOM 1283 C PRO A 81 -2.390 19.769 -0.696 1.00 0.00 C ATOM 1284 O PRO A 81 -1.948 20.546 0.148 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.817 20.292 -1.093 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.422 20.874 0.141 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.405 19.778 1.167 1.00 0.00 C ATOM 0 HA PRO A 81 -3.827 18.324 -1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.319 21.059 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.579 19.841 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.853 21.738 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.440 21.216 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.325 20.174 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.313 19.177 1.131 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.673 19.334 -1.727 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.300 19.768 -1.905 1.00 0.00 C ATOM 1297 C GLY A 82 0.677 18.883 -1.156 1.00 0.00 C ATOM 1298 O GLY A 82 1.890 19.068 -1.248 1.00 0.00 O ATOM 0 H GLY A 82 -2.017 18.691 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.053 19.763 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.197 20.796 -1.558 1.00 0.00 H new ATOM 1302 N GLN A 83 0.144 17.918 -0.414 1.00 0.00 N ATOM 1303 CA GLN A 83 0.969 16.997 0.355 1.00 0.00 C ATOM 1304 C GLN A 83 1.522 15.892 -0.537 1.00 0.00 C ATOM 1305 O GLN A 83 0.771 15.202 -1.227 1.00 0.00 O ATOM 1306 CB GLN A 83 0.158 16.387 1.502 1.00 0.00 C ATOM 1307 CG GLN A 83 0.775 15.126 2.085 1.00 0.00 C ATOM 1308 CD GLN A 83 0.447 14.944 3.554 1.00 0.00 C ATOM 1309 OE1 GLN A 83 -0.719 14.957 3.949 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.477 14.774 4.375 1.00 0.00 N ATOM 0 H GLN A 83 -0.859 17.754 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 83 1.806 17.557 0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.052 17.128 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.845 16.157 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.419 14.260 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.857 15.164 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.428 14.770 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.317 14.648 5.374 1.00 0.00 H new ATOM 1319 N HIS A 84 2.839 15.726 -0.513 1.00 0.00 N ATOM 1320 CA HIS A 84 3.495 14.701 -1.313 1.00 0.00 C ATOM 1321 C HIS A 84 4.419 13.858 -0.442 1.00 0.00 C ATOM 1322 O HIS A 84 5.285 14.385 0.255 1.00 0.00 O ATOM 1323 CB HIS A 84 4.284 15.340 -2.460 1.00 0.00 C ATOM 1324 CG HIS A 84 4.300 14.512 -3.709 1.00 0.00 C ATOM 1325 ND1 HIS A 84 3.378 14.366 -4.691 1.00 0.00 N flip ATOM 1326 CD2 HIS A 84 5.361 13.704 -4.061 1.00 0.00 C flip ATOM 1327 CE1 HIS A 84 3.893 13.481 -5.606 1.00 0.00 C flip ATOM 1328 NE2 HIS A 84 5.091 13.097 -5.204 1.00 0.00 N flip ATOM 0 H HIS A 84 3.474 16.289 0.053 1.00 0.00 H new ATOM 0 HA HIS A 84 2.729 14.052 -1.738 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.855 16.316 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.310 15.511 -2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.271 13.586 -3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.399 13.152 -6.508 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.703 12.444 -5.692 1.00 0.00 H new ATOM 1337 N PHE A 85 4.221 12.545 -0.480 1.00 0.00 N ATOM 1338 CA PHE A 85 5.028 11.631 0.311 1.00 0.00 C ATOM 1339 C PHE A 85 6.371 11.366 -0.362 1.00 0.00 C ATOM 1340 O PHE A 85 6.504 10.448 -1.168 1.00 0.00 O ATOM 1341 CB PHE A 85 4.269 10.322 0.508 1.00 0.00 C ATOM 1342 CG PHE A 85 3.064 10.459 1.396 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.644 11.708 1.826 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.352 9.340 1.798 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.535 11.838 2.640 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.242 9.464 2.612 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.833 10.715 3.034 1.00 0.00 C ATOM 0 H PHE A 85 3.508 12.092 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 85 5.223 12.087 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.954 9.944 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.944 9.580 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.189 12.589 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.668 8.360 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.217 12.817 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.695 8.585 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.034 10.815 3.671 1.00 0.00 H new ATOM 1357 N GLU A 86 7.357 12.192 -0.033 1.00 0.00 N ATOM 1358 CA GLU A 86 8.692 12.071 -0.608 1.00 0.00 C ATOM 1359 C GLU A 86 9.459 10.884 -0.030 1.00 0.00 C ATOM 1360 O GLU A 86 9.007 10.227 0.908 1.00 0.00 O ATOM 1361 CB GLU A 86 9.483 13.357 -0.369 1.00 0.00 C ATOM 1362 CG GLU A 86 9.965 14.023 -1.646 1.00 0.00 C ATOM 1363 CD GLU A 86 11.380 13.619 -2.015 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.330 14.244 -1.498 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.536 12.677 -2.820 1.00 0.00 O ATOM 0 H GLU A 86 7.256 12.958 0.633 1.00 0.00 H new ATOM 0 HA GLU A 86 8.572 11.902 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.859 14.060 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.344 13.132 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.292 13.764 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.919 15.105 -1.527 1.00 0.00 H new ATOM 1372 N GLY A 87 10.634 10.636 -0.600 1.00 0.00 N ATOM 1373 CA GLY A 87 11.487 9.551 -0.149 1.00 0.00 C ATOM 1374 C GLY A 87 10.731 8.294 0.241 1.00 0.00 C ATOM 1375 O GLY A 87 11.131 7.592 1.168 1.00 0.00 O ATOM 0 H GLY A 87 11.015 11.176 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.195 9.306 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.070 9.892 0.706 1.00 0.00 H new ATOM 1379 N LEU A 88 9.645 7.996 -0.465 1.00 0.00 N ATOM 1380 CA LEU A 88 8.863 6.802 -0.168 1.00 0.00 C ATOM 1381 C LEU A 88 9.728 5.554 -0.299 1.00 0.00 C ATOM 1382 O LEU A 88 9.917 4.819 0.671 1.00 0.00 O ATOM 1383 CB LEU A 88 7.664 6.698 -1.104 1.00 0.00 C ATOM 1384 CG LEU A 88 6.342 7.212 -0.534 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.188 6.853 -1.458 1.00 0.00 C ATOM 1386 CD2 LEU A 88 6.109 6.646 0.859 1.00 0.00 C ATOM 0 H LEU A 88 9.290 8.558 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 88 8.503 6.879 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.887 7.252 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.536 5.654 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 88 6.396 8.298 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.255 7.227 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.351 7.305 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.130 5.770 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.164 7.022 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.074 5.558 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.922 6.953 1.517 1.00 0.00 H new ATOM 1398 N ASN A 89 10.249 5.311 -1.505 1.00 0.00 N ATOM 1399 CA ASN A 89 11.088 4.142 -1.765 1.00 0.00 C ATOM 1400 C ASN A 89 12.449 4.229 -1.069 1.00 0.00 C ATOM 1401 O ASN A 89 13.310 3.375 -1.282 1.00 0.00 O ATOM 1402 CB ASN A 89 11.294 3.972 -3.270 1.00 0.00 C ATOM 1403 CG ASN A 89 12.071 5.123 -3.879 1.00 0.00 C ATOM 1404 OD1 ASN A 89 13.038 5.611 -3.295 1.00 0.00 O ATOM 1405 ND2 ASN A 89 11.650 5.565 -5.059 1.00 0.00 N ATOM 0 H ASN A 89 10.103 5.911 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 89 10.566 3.277 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.824 3.039 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.324 3.892 -3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.133 6.338 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.843 5.131 -5.508 1.00 0.00 H new ATOM 1412 N MET A 90 12.629 5.222 -0.205 1.00 0.00 N ATOM 1413 CA MET A 90 13.866 5.358 0.545 1.00 0.00 C ATOM 1414 C MET A 90 13.649 4.747 1.922 1.00 0.00 C ATOM 1415 O MET A 90 14.581 4.277 2.575 1.00 0.00 O ATOM 1416 CB MET A 90 14.286 6.831 0.651 1.00 0.00 C ATOM 1417 CG MET A 90 13.728 7.566 1.864 1.00 0.00 C ATOM 1418 SD MET A 90 15.025 8.105 2.996 1.00 0.00 S ATOM 1419 CE MET A 90 14.053 8.681 4.386 1.00 0.00 C ATOM 0 H MET A 90 11.934 5.942 -0.009 1.00 0.00 H new ATOM 0 HA MET A 90 14.674 4.837 0.032 1.00 0.00 H new ATOM 0 HB2 MET A 90 15.374 6.883 0.680 1.00 0.00 H new ATOM 0 HB3 MET A 90 13.966 7.352 -0.251 1.00 0.00 H new ATOM 0 HG2 MET A 90 13.158 8.433 1.530 1.00 0.00 H new ATOM 0 HG3 MET A 90 13.035 6.913 2.394 1.00 0.00 H new ATOM 0 HE1 MET A 90 14.718 9.046 5.169 1.00 0.00 H new ATOM 0 HE2 MET A 90 13.397 9.489 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 90 13.452 7.859 4.775 1.00 0.00 H new ATOM 1429 N LEU A 91 12.384 4.751 2.334 1.00 0.00 N ATOM 1430 CA LEU A 91 11.966 4.197 3.609 1.00 0.00 C ATOM 1431 C LEU A 91 12.043 2.671 3.580 1.00 0.00 C ATOM 1432 O LEU A 91 11.453 2.033 2.708 1.00 0.00 O ATOM 1433 CB LEU A 91 10.533 4.647 3.901 1.00 0.00 C ATOM 1434 CG LEU A 91 10.405 5.806 4.888 1.00 0.00 C ATOM 1435 CD1 LEU A 91 8.950 6.020 5.273 1.00 0.00 C ATOM 1436 CD2 LEU A 91 11.257 5.549 6.122 1.00 0.00 C ATOM 0 H LEU A 91 11.618 5.143 1.785 1.00 0.00 H new ATOM 0 HA LEU A 91 12.631 4.556 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.061 4.936 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 91 9.974 3.796 4.290 1.00 0.00 H new ATOM 0 HG LEU A 91 10.767 6.714 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.878 6.849 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.367 6.249 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.560 5.115 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.155 6.384 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.926 4.631 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.302 5.447 5.828 1.00 0.00 H new ATOM 1448 N THR A 92 12.757 2.086 4.538 1.00 0.00 N ATOM 1449 CA THR A 92 12.884 0.634 4.612 1.00 0.00 C ATOM 1450 C THR A 92 13.046 0.168 6.056 1.00 0.00 C ATOM 1451 O THR A 92 13.514 0.919 6.911 1.00 0.00 O ATOM 1452 CB THR A 92 14.079 0.122 3.786 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.559 1.124 2.881 1.00 0.00 O ATOM 1454 CG2 THR A 92 13.690 -1.108 2.981 1.00 0.00 C ATOM 0 H THR A 92 13.254 2.593 5.271 1.00 0.00 H new ATOM 0 HA THR A 92 11.965 0.221 4.197 1.00 0.00 H new ATOM 0 HB THR A 92 14.868 -0.130 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.318 0.769 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.549 -1.453 2.405 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.366 -1.898 3.658 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.876 -0.856 2.302 1.00 0.00 H new ATOM 1462 N ALA A 93 12.665 -1.079 6.321 1.00 0.00 N ATOM 1463 CA ALA A 93 12.782 -1.646 7.659 1.00 0.00 C ATOM 1464 C ALA A 93 14.063 -2.466 7.780 1.00 0.00 C ATOM 1465 O ALA A 93 14.226 -3.482 7.105 1.00 0.00 O ATOM 1466 CB ALA A 93 11.568 -2.501 7.992 1.00 0.00 C ATOM 0 H ALA A 93 12.273 -1.715 5.626 1.00 0.00 H new ATOM 0 HA ALA A 93 12.826 -0.825 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.678 -2.914 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.668 -1.888 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.488 -3.315 7.272 1.00 0.00 H new ATOM 1472 N LEU A 94 14.969 -2.021 8.647 1.00 0.00 N ATOM 1473 CA LEU A 94 16.233 -2.720 8.859 1.00 0.00 C ATOM 1474 C LEU A 94 16.449 -3.037 10.336 1.00 0.00 C ATOM 1475 O LEU A 94 16.729 -2.140 11.132 1.00 0.00 O ATOM 1476 CB LEU A 94 17.398 -1.878 8.338 1.00 0.00 C ATOM 1477 CG LEU A 94 17.271 -0.374 8.588 1.00 0.00 C ATOM 1478 CD1 LEU A 94 18.600 0.321 8.337 1.00 0.00 C ATOM 1479 CD2 LEU A 94 16.180 0.223 7.712 1.00 0.00 C ATOM 0 H LEU A 94 14.851 -1.181 9.213 1.00 0.00 H new ATOM 0 HA LEU A 94 16.190 -3.660 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 94 18.319 -2.232 8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 94 17.497 -2.046 7.266 1.00 0.00 H new ATOM 0 HG LEU A 94 16.994 -0.220 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 94 18.492 1.390 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 94 19.356 -0.087 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 94 18.906 0.159 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.104 1.293 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.425 0.059 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.227 -0.255 7.941 1.00 0.00 H new ATOM 1491 N LEU A 95 16.327 -4.308 10.705 1.00 0.00 N ATOM 1492 CA LEU A 95 16.520 -4.712 12.094 1.00 0.00 C ATOM 1493 C LEU A 95 17.972 -5.102 12.355 1.00 0.00 C ATOM 1494 O LEU A 95 18.468 -6.087 11.807 1.00 0.00 O ATOM 1495 CB LEU A 95 15.598 -5.882 12.442 1.00 0.00 C ATOM 1496 CG LEU A 95 14.104 -5.549 12.461 1.00 0.00 C ATOM 1497 CD1 LEU A 95 13.644 -5.086 11.088 1.00 0.00 C ATOM 1498 CD2 LEU A 95 13.296 -6.753 12.919 1.00 0.00 C ATOM 0 H LEU A 95 16.097 -5.071 10.068 1.00 0.00 H new ATOM 0 HA LEU A 95 16.272 -3.860 12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 95 15.767 -6.683 11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 95 15.881 -6.268 13.421 1.00 0.00 H new ATOM 0 HG LEU A 95 13.940 -4.737 13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.580 -4.854 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.201 -4.195 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.821 -5.877 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.236 -6.498 12.927 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.464 -7.585 12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.607 -7.039 13.924 1.00 0.00 H new ATOM 1510 N ALA A 96 18.648 -4.325 13.195 1.00 0.00 N ATOM 1511 CA ALA A 96 20.044 -4.588 13.532 1.00 0.00 C ATOM 1512 C ALA A 96 20.978 -4.078 12.440 1.00 0.00 C ATOM 1513 O ALA A 96 20.877 -2.883 12.088 1.00 0.00 O ATOM 1514 CB ALA A 96 20.278 -6.072 13.770 1.00 0.00 C ATOM 1515 OXT ALA A 96 21.803 -4.875 11.948 1.00 0.00 O ATOM 0 H ALA A 96 18.251 -3.506 13.656 1.00 0.00 H new ATOM 0 HA ALA A 96 20.265 -4.050 14.454 1.00 0.00 H new ATOM 0 HB1 ALA A 96 21.326 -6.240 14.019 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.650 -6.412 14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 96 20.026 -6.629 12.868 1.00 0.00 H new TER 1521 ALA A 96