USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot 180:sc= 0.727 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.68 K(o=2.4,f=1.1) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0374 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 29:sc= 0.647 USER MOD Single : A 6 THR OG1 : rot 52:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot -150:sc= 0 USER MOD Single : A 10 SER OG : rot -170:sc= -0.323 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 89:sc= 0.72 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.82! C(o=-0.82!,f=-5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 48 ASN : amide:sc= -0.0644 K(o=-0.064,f=-7.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -93:sc= 0.335 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 62 SER OG : rot 55:sc= 0.406 USER MOD Single : A 64 SER OG : rot 26:sc= 0.446 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -94:sc= 1.23 USER MOD Single : A 81 THR OG1 : rot 129:sc= 1.07 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 106:sc= 0.405 USER MOD Single : A 90 THR OG1 : rot -39:sc= 0.948 USER MOD Single : A 94 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.5!) USER MOD Single : A 98 SER OG : rot 6:sc= 0.754 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.113 5.693 15.793 1.00 0.00 N ATOM 2 CA ALA A 1 -16.644 4.525 15.065 1.00 0.00 C ATOM 3 C ALA A 1 -15.558 3.481 14.895 1.00 0.00 C ATOM 4 O ALA A 1 -14.387 3.820 14.727 1.00 0.00 O ATOM 5 CB ALA A 1 -17.189 4.943 13.710 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.556 6.560 15.428 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.325 5.596 16.806 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.083 5.747 15.659 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.460 4.095 15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.576 4.068 13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.991 5.668 13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.391 5.394 13.120 1.00 0.00 H new ATOM 11 N ALA A 2 -15.950 2.221 14.941 1.00 0.00 N ATOM 12 CA ALA A 2 -15.010 1.122 14.785 1.00 0.00 C ATOM 13 C ALA A 2 -15.060 0.588 13.358 1.00 0.00 C ATOM 14 O ALA A 2 -16.021 -0.075 12.975 1.00 0.00 O ATOM 15 CB ALA A 2 -15.311 0.013 15.783 1.00 0.00 C ATOM 0 H ALA A 2 -16.917 1.931 15.086 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.004 1.493 14.984 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.597 -0.800 15.650 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.231 0.404 16.797 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.321 -0.361 15.617 1.00 0.00 H new ATOM 21 N PRO A 3 -14.035 0.886 12.547 1.00 0.00 N ATOM 22 CA PRO A 3 -13.976 0.442 11.155 1.00 0.00 C ATOM 23 C PRO A 3 -13.666 -1.044 11.034 1.00 0.00 C ATOM 24 O PRO A 3 -13.217 -1.680 11.989 1.00 0.00 O ATOM 25 CB PRO A 3 -12.844 1.278 10.561 1.00 0.00 C ATOM 26 CG PRO A 3 -11.953 1.583 11.713 1.00 0.00 C ATOM 27 CD PRO A 3 -12.845 1.668 12.925 1.00 0.00 C ATOM 0 HA PRO A 3 -14.930 0.574 10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.312 0.729 9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.225 2.191 10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.199 0.806 11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.420 2.521 11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.359 1.253 13.808 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.104 2.701 13.159 1.00 0.00 H new ATOM 35 N THR A 4 -13.908 -1.592 9.858 1.00 0.00 N ATOM 36 CA THR A 4 -13.652 -3.000 9.607 1.00 0.00 C ATOM 37 C THR A 4 -12.599 -3.161 8.516 1.00 0.00 C ATOM 38 O THR A 4 -12.899 -3.047 7.323 1.00 0.00 O ATOM 39 CB THR A 4 -14.944 -3.735 9.198 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.802 -2.844 8.472 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.679 -4.271 10.415 1.00 0.00 C ATOM 0 H THR A 4 -14.283 -1.082 9.058 1.00 0.00 H new ATOM 0 HA THR A 4 -13.282 -3.443 10.532 1.00 0.00 H new ATOM 0 HB THR A 4 -14.668 -4.578 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.259 -2.174 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.586 -4.784 10.095 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.036 -4.970 10.950 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.943 -3.444 11.074 1.00 0.00 H new ATOM 49 N ALA A 5 -11.362 -3.395 8.926 1.00 0.00 N ATOM 50 CA ALA A 5 -10.268 -3.562 7.985 1.00 0.00 C ATOM 51 C ALA A 5 -10.065 -5.034 7.649 1.00 0.00 C ATOM 52 O ALA A 5 -9.638 -5.819 8.493 1.00 0.00 O ATOM 53 CB ALA A 5 -8.991 -2.960 8.557 1.00 0.00 C ATOM 0 H ALA A 5 -11.091 -3.473 9.906 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.519 -3.038 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.176 -3.090 7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.142 -1.897 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.739 -3.462 9.491 1.00 0.00 H new ATOM 59 N THR A 6 -10.377 -5.408 6.420 1.00 0.00 N ATOM 60 CA THR A 6 -10.227 -6.786 5.985 1.00 0.00 C ATOM 61 C THR A 6 -9.148 -6.913 4.914 1.00 0.00 C ATOM 62 O THR A 6 -9.438 -6.884 3.719 1.00 0.00 O ATOM 63 CB THR A 6 -11.559 -7.341 5.442 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.395 -6.263 4.990 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.289 -8.138 6.513 1.00 0.00 C ATOM 0 H THR A 6 -10.736 -4.776 5.705 1.00 0.00 H new ATOM 0 HA THR A 6 -9.927 -7.369 6.856 1.00 0.00 H new ATOM 0 HB THR A 6 -11.336 -8.003 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.888 -5.690 4.378 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.226 -8.520 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.666 -8.973 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.499 -7.493 7.366 1.00 0.00 H new ATOM 73 N VAL A 7 -7.900 -7.023 5.341 1.00 0.00 N ATOM 74 CA VAL A 7 -6.794 -7.163 4.410 1.00 0.00 C ATOM 75 C VAL A 7 -6.192 -8.558 4.521 1.00 0.00 C ATOM 76 O VAL A 7 -6.156 -9.145 5.603 1.00 0.00 O ATOM 77 CB VAL A 7 -5.698 -6.093 4.641 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.251 -4.698 4.391 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.124 -6.187 6.047 1.00 0.00 C ATOM 0 H VAL A 7 -7.629 -7.018 6.324 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.191 -7.013 3.406 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.892 -6.284 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.466 -3.960 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.604 -4.625 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.080 -4.507 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.357 -5.423 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.920 -6.032 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.683 -7.173 6.195 1.00 0.00 H new ATOM 89 N THR A 8 -5.760 -9.102 3.400 1.00 0.00 N ATOM 90 CA THR A 8 -5.166 -10.425 3.381 1.00 0.00 C ATOM 91 C THR A 8 -3.710 -10.353 2.931 1.00 0.00 C ATOM 92 O THR A 8 -3.424 -10.215 1.740 1.00 0.00 O ATOM 93 CB THR A 8 -5.957 -11.368 2.454 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.363 -11.091 2.566 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.701 -12.822 2.813 1.00 0.00 C ATOM 0 H THR A 8 -5.809 -8.647 2.488 1.00 0.00 H new ATOM 0 HA THR A 8 -5.202 -10.824 4.395 1.00 0.00 H new ATOM 0 HB THR A 8 -5.626 -11.198 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.872 -11.911 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.271 -13.468 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.638 -13.040 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.010 -13.003 3.842 1.00 0.00 H new ATOM 103 N PRO A 9 -2.769 -10.432 3.885 1.00 0.00 N ATOM 104 CA PRO A 9 -1.337 -10.367 3.594 1.00 0.00 C ATOM 105 C PRO A 9 -0.824 -11.622 2.890 1.00 0.00 C ATOM 106 O PRO A 9 -1.280 -12.733 3.163 1.00 0.00 O ATOM 107 CB PRO A 9 -0.697 -10.225 4.980 1.00 0.00 C ATOM 108 CG PRO A 9 -1.677 -10.835 5.920 1.00 0.00 C ATOM 109 CD PRO A 9 -3.036 -10.584 5.329 1.00 0.00 C ATOM 0 HA PRO A 9 -1.098 -9.549 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.265 -10.736 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.513 -9.179 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.494 -11.903 6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.595 -10.389 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.717 -11.412 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.495 -9.688 5.747 1.00 0.00 H new ATOM 117 N SER A 10 0.124 -11.439 1.983 1.00 0.00 N ATOM 118 CA SER A 10 0.703 -12.546 1.236 1.00 0.00 C ATOM 119 C SER A 10 1.907 -13.137 1.975 1.00 0.00 C ATOM 120 O SER A 10 2.988 -13.280 1.407 1.00 0.00 O ATOM 121 CB SER A 10 1.118 -12.057 -0.152 1.00 0.00 C ATOM 122 OG SER A 10 0.086 -11.276 -0.739 1.00 0.00 O ATOM 0 H SER A 10 0.511 -10.526 1.745 1.00 0.00 H new ATOM 0 HA SER A 10 -0.045 -13.333 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.030 -11.465 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.343 -12.911 -0.791 1.00 0.00 H new ATOM 0 HG SER A 10 0.300 -11.105 -1.680 1.00 0.00 H new ATOM 128 N SER A 11 1.708 -13.478 3.239 1.00 0.00 N ATOM 129 CA SER A 11 2.766 -14.048 4.062 1.00 0.00 C ATOM 130 C SER A 11 3.101 -15.470 3.622 1.00 0.00 C ATOM 131 O SER A 11 2.306 -16.395 3.803 1.00 0.00 O ATOM 132 CB SER A 11 2.332 -14.039 5.523 1.00 0.00 C ATOM 133 OG SER A 11 1.479 -12.935 5.784 1.00 0.00 O ATOM 0 H SER A 11 0.816 -13.369 3.721 1.00 0.00 H new ATOM 0 HA SER A 11 3.664 -13.441 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.815 -14.969 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.209 -13.988 6.168 1.00 0.00 H new ATOM 0 HG SER A 11 1.209 -12.946 6.726 1.00 0.00 H new ATOM 139 N GLY A 12 4.277 -15.638 3.038 1.00 0.00 N ATOM 140 CA GLY A 12 4.698 -16.946 2.585 1.00 0.00 C ATOM 141 C GLY A 12 4.615 -17.094 1.083 1.00 0.00 C ATOM 142 O GLY A 12 5.119 -18.060 0.518 1.00 0.00 O ATOM 0 H GLY A 12 4.949 -14.889 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.723 -17.126 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.077 -17.707 3.057 1.00 0.00 H new ATOM 146 N LEU A 13 3.989 -16.130 0.433 1.00 0.00 N ATOM 147 CA LEU A 13 3.844 -16.160 -1.011 1.00 0.00 C ATOM 148 C LEU A 13 4.974 -15.370 -1.651 1.00 0.00 C ATOM 149 O LEU A 13 5.480 -14.427 -1.052 1.00 0.00 O ATOM 150 CB LEU A 13 2.485 -15.587 -1.418 1.00 0.00 C ATOM 151 CG LEU A 13 1.284 -16.415 -0.953 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.011 -15.590 -0.987 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.123 -17.655 -1.816 1.00 0.00 C ATOM 0 H LEU A 13 3.572 -15.315 0.883 1.00 0.00 H new ATOM 0 HA LEU A 13 3.895 -17.192 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.394 -14.579 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.452 -15.499 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 13 1.469 -16.724 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.827 -16.201 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.118 -14.728 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.173 -15.247 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.264 -18.230 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.967 -17.359 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.022 -18.267 -1.745 1.00 0.00 H new ATOM 165 N SER A 14 5.382 -15.771 -2.846 1.00 0.00 N ATOM 166 CA SER A 14 6.466 -15.099 -3.554 1.00 0.00 C ATOM 167 C SER A 14 5.995 -13.795 -4.200 1.00 0.00 C ATOM 168 O SER A 14 4.827 -13.412 -4.084 1.00 0.00 O ATOM 169 CB SER A 14 7.033 -16.026 -4.626 1.00 0.00 C ATOM 170 OG SER A 14 7.038 -17.372 -4.183 1.00 0.00 O ATOM 0 H SER A 14 4.978 -16.561 -3.349 1.00 0.00 H new ATOM 0 HA SER A 14 7.240 -14.854 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.439 -15.941 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.048 -15.719 -4.878 1.00 0.00 H new ATOM 0 HG SER A 14 7.404 -17.947 -4.887 1.00 0.00 H new ATOM 176 N ASP A 15 6.910 -13.116 -4.889 1.00 0.00 N ATOM 177 CA ASP A 15 6.585 -11.862 -5.557 1.00 0.00 C ATOM 178 C ASP A 15 5.700 -12.127 -6.768 1.00 0.00 C ATOM 179 O ASP A 15 5.665 -13.243 -7.292 1.00 0.00 O ATOM 180 CB ASP A 15 7.857 -11.117 -5.975 1.00 0.00 C ATOM 181 CG ASP A 15 8.568 -11.770 -7.148 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.239 -12.802 -6.940 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.480 -11.240 -8.273 1.00 0.00 O ATOM 0 H ASP A 15 7.879 -13.414 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 15 6.041 -11.230 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.601 -10.091 -6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.538 -11.068 -5.126 1.00 0.00 H new ATOM 188 N GLY A 16 4.980 -11.103 -7.202 1.00 0.00 N ATOM 189 CA GLY A 16 4.080 -11.248 -8.329 1.00 0.00 C ATOM 190 C GLY A 16 2.678 -11.588 -7.870 1.00 0.00 C ATOM 191 O GLY A 16 1.748 -11.663 -8.674 1.00 0.00 O ATOM 0 H GLY A 16 5.003 -10.169 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.062 -10.323 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.448 -12.030 -8.993 1.00 0.00 H new ATOM 195 N THR A 17 2.537 -11.786 -6.566 1.00 0.00 N ATOM 196 CA THR A 17 1.261 -12.122 -5.960 1.00 0.00 C ATOM 197 C THR A 17 0.418 -10.865 -5.734 1.00 0.00 C ATOM 198 O THR A 17 0.949 -9.798 -5.417 1.00 0.00 O ATOM 199 CB THR A 17 1.486 -12.843 -4.615 1.00 0.00 C ATOM 200 OG1 THR A 17 2.359 -13.963 -4.807 1.00 0.00 O ATOM 201 CG2 THR A 17 0.177 -13.316 -4.002 1.00 0.00 C ATOM 0 H THR A 17 3.307 -11.717 -5.900 1.00 0.00 H new ATOM 0 HA THR A 17 0.725 -12.784 -6.641 1.00 0.00 H new ATOM 0 HB THR A 17 1.939 -12.129 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.289 -13.675 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.379 -13.819 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.473 -12.459 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.314 -14.010 -4.684 1.00 0.00 H new ATOM 209 N VAL A 18 -0.891 -10.996 -5.904 1.00 0.00 N ATOM 210 CA VAL A 18 -1.803 -9.878 -5.715 1.00 0.00 C ATOM 211 C VAL A 18 -2.377 -9.877 -4.304 1.00 0.00 C ATOM 212 O VAL A 18 -3.066 -10.815 -3.898 1.00 0.00 O ATOM 213 CB VAL A 18 -2.963 -9.897 -6.735 1.00 0.00 C ATOM 214 CG1 VAL A 18 -2.701 -8.908 -7.858 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.179 -11.296 -7.296 1.00 0.00 C ATOM 0 H VAL A 18 -1.345 -11.869 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.220 -8.971 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.873 -9.600 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.528 -8.935 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.610 -7.904 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.776 -9.175 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.002 -11.278 -8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.271 -11.632 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.420 -11.981 -6.483 1.00 0.00 H new ATOM 225 N VAL A 19 -2.069 -8.826 -3.558 1.00 0.00 N ATOM 226 CA VAL A 19 -2.551 -8.682 -2.189 1.00 0.00 C ATOM 227 C VAL A 19 -3.998 -8.201 -2.187 1.00 0.00 C ATOM 228 O VAL A 19 -4.367 -7.323 -2.969 1.00 0.00 O ATOM 229 CB VAL A 19 -1.686 -7.685 -1.384 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.015 -7.762 0.099 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.206 -7.947 -1.615 1.00 0.00 C ATOM 0 H VAL A 19 -1.484 -8.055 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.484 -9.661 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.915 -6.679 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.395 -7.052 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.066 -7.518 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.820 -8.771 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.384 -7.234 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.038 -8.961 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.022 -7.834 -2.675 1.00 0.00 H new ATOM 241 N LYS A 20 -4.816 -8.785 -1.320 1.00 0.00 N ATOM 242 CA LYS A 20 -6.218 -8.407 -1.227 1.00 0.00 C ATOM 243 C LYS A 20 -6.425 -7.342 -0.155 1.00 0.00 C ATOM 244 O LYS A 20 -6.180 -7.582 1.031 1.00 0.00 O ATOM 245 CB LYS A 20 -7.090 -9.630 -0.925 1.00 0.00 C ATOM 246 CG LYS A 20 -8.531 -9.275 -0.580 1.00 0.00 C ATOM 247 CD LYS A 20 -9.356 -10.506 -0.235 1.00 0.00 C ATOM 248 CE LYS A 20 -9.798 -11.251 -1.483 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.938 -12.166 -1.213 1.00 0.00 N ATOM 0 H LYS A 20 -4.532 -9.521 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.516 -7.993 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.084 -10.294 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.651 -10.184 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.542 -8.584 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.988 -8.757 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.770 -11.172 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.232 -10.208 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.084 -10.533 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.960 -11.824 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.207 -12.654 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.658 -12.868 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.748 -11.617 -0.860 1.00 0.00 H new ATOM 263 N VAL A 21 -6.860 -6.166 -0.578 1.00 0.00 N ATOM 264 CA VAL A 21 -7.115 -5.074 0.344 1.00 0.00 C ATOM 265 C VAL A 21 -8.585 -4.677 0.288 1.00 0.00 C ATOM 266 O VAL A 21 -9.086 -4.258 -0.758 1.00 0.00 O ATOM 267 CB VAL A 21 -6.230 -3.845 0.034 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.549 -2.691 0.975 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.756 -4.212 0.119 1.00 0.00 C ATOM 0 H VAL A 21 -7.044 -5.944 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.866 -5.423 1.346 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.448 -3.521 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.912 -1.839 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.595 -2.406 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.368 -3.000 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.149 -3.334 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.527 -4.568 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.534 -4.998 -0.603 1.00 0.00 H new ATOM 279 N ALA A 22 -9.280 -4.853 1.401 1.00 0.00 N ATOM 280 CA ALA A 22 -10.690 -4.505 1.487 1.00 0.00 C ATOM 281 C ALA A 22 -10.964 -3.723 2.763 1.00 0.00 C ATOM 282 O ALA A 22 -10.920 -4.273 3.864 1.00 0.00 O ATOM 283 CB ALA A 22 -11.557 -5.756 1.432 1.00 0.00 C ATOM 0 H ALA A 22 -8.888 -5.237 2.261 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.943 -3.877 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.608 -5.474 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.380 -6.280 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.304 -6.411 2.266 1.00 0.00 H new ATOM 289 N GLY A 23 -11.230 -2.439 2.617 1.00 0.00 N ATOM 290 CA GLY A 23 -11.499 -1.609 3.769 1.00 0.00 C ATOM 291 C GLY A 23 -12.936 -1.147 3.812 1.00 0.00 C ATOM 292 O GLY A 23 -13.422 -0.536 2.862 1.00 0.00 O ATOM 0 H GLY A 23 -11.265 -1.954 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.270 -2.166 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.840 -0.741 3.752 1.00 0.00 H new ATOM 296 N ALA A 24 -13.621 -1.454 4.901 1.00 0.00 N ATOM 297 CA ALA A 24 -15.008 -1.056 5.059 1.00 0.00 C ATOM 298 C ALA A 24 -15.179 -0.227 6.321 1.00 0.00 C ATOM 299 O ALA A 24 -14.606 -0.543 7.366 1.00 0.00 O ATOM 300 CB ALA A 24 -15.909 -2.274 5.096 1.00 0.00 C ATOM 0 H ALA A 24 -13.238 -1.978 5.688 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.293 -0.445 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.945 -1.957 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.805 -2.832 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.626 -2.911 5.934 1.00 0.00 H new ATOM 306 N GLY A 25 -15.976 0.822 6.224 1.00 0.00 N ATOM 307 CA GLY A 25 -16.192 1.697 7.355 1.00 0.00 C ATOM 308 C GLY A 25 -15.438 2.992 7.188 1.00 0.00 C ATOM 309 O GLY A 25 -15.250 3.747 8.141 1.00 0.00 O ATOM 0 H GLY A 25 -16.480 1.085 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.257 1.903 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.870 1.200 8.270 1.00 0.00 H new ATOM 313 N LEU A 26 -14.991 3.240 5.963 1.00 0.00 N ATOM 314 CA LEU A 26 -14.245 4.446 5.646 1.00 0.00 C ATOM 315 C LEU A 26 -15.196 5.545 5.196 1.00 0.00 C ATOM 316 O LEU A 26 -16.385 5.300 4.990 1.00 0.00 O ATOM 317 CB LEU A 26 -13.220 4.169 4.539 1.00 0.00 C ATOM 318 CG LEU A 26 -12.337 2.938 4.754 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.583 2.592 3.479 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.361 3.170 5.898 1.00 0.00 C ATOM 0 H LEU A 26 -15.135 2.615 5.169 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.717 4.769 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.753 4.052 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.577 5.043 4.436 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.981 2.099 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.960 1.714 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.295 2.381 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.952 3.433 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.743 2.283 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.724 4.024 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.916 3.370 6.815 1.00 0.00 H new ATOM 332 N GLN A 27 -14.672 6.748 5.044 1.00 0.00 N ATOM 333 CA GLN A 27 -15.477 7.875 4.608 1.00 0.00 C ATOM 334 C GLN A 27 -15.760 7.769 3.110 1.00 0.00 C ATOM 335 O GLN A 27 -14.837 7.816 2.294 1.00 0.00 O ATOM 336 CB GLN A 27 -14.757 9.188 4.927 1.00 0.00 C ATOM 337 CG GLN A 27 -15.662 10.413 4.894 1.00 0.00 C ATOM 338 CD GLN A 27 -16.835 10.304 5.853 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.753 9.633 6.881 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.934 10.969 5.529 1.00 0.00 N ATOM 0 H GLN A 27 -13.691 6.970 5.216 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.427 7.861 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.303 9.111 5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.946 9.329 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.077 11.298 5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.039 10.554 3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.965 11.515 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.750 10.935 6.141 1.00 0.00 H new ATOM 349 N ALA A 28 -17.031 7.606 2.758 1.00 0.00 N ATOM 350 CA ALA A 28 -17.442 7.480 1.362 1.00 0.00 C ATOM 351 C ALA A 28 -17.039 8.700 0.540 1.00 0.00 C ATOM 352 O ALA A 28 -17.107 9.834 1.015 1.00 0.00 O ATOM 353 CB ALA A 28 -18.944 7.260 1.273 1.00 0.00 C ATOM 0 H ALA A 28 -17.801 7.558 3.426 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.926 6.615 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.237 7.168 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.210 6.347 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.463 8.107 1.722 1.00 0.00 H new ATOM 359 N GLY A 29 -16.601 8.458 -0.689 1.00 0.00 N ATOM 360 CA GLY A 29 -16.201 9.544 -1.563 1.00 0.00 C ATOM 361 C GLY A 29 -14.704 9.793 -1.546 1.00 0.00 C ATOM 362 O GLY A 29 -14.138 10.271 -2.529 1.00 0.00 O ATOM 0 H GLY A 29 -16.515 7.527 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.515 9.319 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.719 10.455 -1.264 1.00 0.00 H new ATOM 366 N THR A 30 -14.070 9.465 -0.431 1.00 0.00 N ATOM 367 CA THR A 30 -12.634 9.661 -0.276 1.00 0.00 C ATOM 368 C THR A 30 -11.849 8.622 -1.073 1.00 0.00 C ATOM 369 O THR A 30 -12.219 7.447 -1.107 1.00 0.00 O ATOM 370 CB THR A 30 -12.228 9.572 1.206 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.324 9.985 2.032 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.015 10.442 1.498 1.00 0.00 C ATOM 0 H THR A 30 -14.529 9.060 0.385 1.00 0.00 H new ATOM 0 HA THR A 30 -12.398 10.655 -0.657 1.00 0.00 H new ATOM 0 HB THR A 30 -11.967 8.537 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.889 9.211 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.752 10.358 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.175 10.111 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.247 11.481 1.264 1.00 0.00 H new ATOM 380 N ALA A 31 -10.779 9.062 -1.713 1.00 0.00 N ATOM 381 CA ALA A 31 -9.940 8.176 -2.500 1.00 0.00 C ATOM 382 C ALA A 31 -8.780 7.663 -1.661 1.00 0.00 C ATOM 383 O ALA A 31 -8.052 8.447 -1.051 1.00 0.00 O ATOM 384 CB ALA A 31 -9.429 8.891 -3.740 1.00 0.00 C ATOM 0 H ALA A 31 -10.470 10.034 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.538 7.323 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.802 8.213 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.274 9.212 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.844 9.762 -3.443 1.00 0.00 H new ATOM 390 N TYR A 32 -8.619 6.351 -1.617 1.00 0.00 N ATOM 391 CA TYR A 32 -7.546 5.746 -0.845 1.00 0.00 C ATOM 392 C TYR A 32 -6.497 5.132 -1.766 1.00 0.00 C ATOM 393 O TYR A 32 -6.826 4.366 -2.672 1.00 0.00 O ATOM 394 CB TYR A 32 -8.110 4.687 0.102 1.00 0.00 C ATOM 395 CG TYR A 32 -8.662 5.268 1.388 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.882 5.939 1.410 1.00 0.00 C ATOM 397 CD2 TYR A 32 -7.956 5.156 2.579 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.377 6.479 2.581 1.00 0.00 C ATOM 399 CE2 TYR A 32 -8.445 5.695 3.753 1.00 0.00 C ATOM 400 CZ TYR A 32 -9.656 6.356 3.749 1.00 0.00 C ATOM 401 OH TYR A 32 -10.142 6.901 4.915 1.00 0.00 O ATOM 0 H TYR A 32 -9.217 5.685 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.065 6.525 -0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.900 4.136 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.326 3.969 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.450 6.039 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.008 4.638 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.325 6.996 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.882 5.599 4.670 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.513 6.724 5.646 1.00 0.00 H new ATOM 411 N ASP A 33 -5.241 5.478 -1.531 1.00 0.00 N ATOM 412 CA ASP A 33 -4.137 4.970 -2.334 1.00 0.00 C ATOM 413 C ASP A 33 -3.526 3.753 -1.654 1.00 0.00 C ATOM 414 O ASP A 33 -3.221 3.786 -0.459 1.00 0.00 O ATOM 415 CB ASP A 33 -3.066 6.054 -2.534 1.00 0.00 C ATOM 416 CG ASP A 33 -3.583 7.261 -3.292 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.521 7.266 -4.539 1.00 0.00 O ATOM 418 OD2 ASP A 33 -4.050 8.219 -2.644 1.00 0.00 O ATOM 0 H ASP A 33 -4.958 6.113 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.521 4.683 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.694 6.374 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.220 5.627 -3.073 1.00 0.00 H new ATOM 423 N VAL A 34 -3.375 2.672 -2.405 1.00 0.00 N ATOM 424 CA VAL A 34 -2.812 1.448 -1.860 1.00 0.00 C ATOM 425 C VAL A 34 -1.644 0.957 -2.707 1.00 0.00 C ATOM 426 O VAL A 34 -1.707 0.973 -3.940 1.00 0.00 O ATOM 427 CB VAL A 34 -3.868 0.325 -1.773 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.408 -0.759 -0.815 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.231 0.867 -1.360 1.00 0.00 C ATOM 0 H VAL A 34 -3.634 2.618 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.462 1.686 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.977 -0.109 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.163 -1.544 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.468 -1.182 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.263 -0.330 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.948 0.048 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.153 1.342 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.568 1.600 -2.093 1.00 0.00 H new ATOM 439 N GLY A 35 -0.583 0.530 -2.035 1.00 0.00 N ATOM 440 CA GLY A 35 0.587 0.016 -2.719 1.00 0.00 C ATOM 441 C GLY A 35 1.493 -0.743 -1.772 1.00 0.00 C ATOM 442 O GLY A 35 1.205 -0.843 -0.577 1.00 0.00 O ATOM 0 H GLY A 35 -0.512 0.531 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.276 -0.641 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.139 0.841 -3.169 1.00 0.00 H new ATOM 446 N GLN A 36 2.586 -1.287 -2.292 1.00 0.00 N ATOM 447 CA GLN A 36 3.529 -2.023 -1.459 1.00 0.00 C ATOM 448 C GLN A 36 4.520 -1.057 -0.819 1.00 0.00 C ATOM 449 O GLN A 36 5.667 -0.945 -1.241 1.00 0.00 O ATOM 450 CB GLN A 36 4.271 -3.097 -2.265 1.00 0.00 C ATOM 451 CG GLN A 36 4.772 -2.616 -3.614 1.00 0.00 C ATOM 452 CD GLN A 36 5.743 -3.581 -4.264 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.755 -3.734 -5.481 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.574 -4.233 -3.463 1.00 0.00 N ATOM 0 H GLN A 36 2.840 -1.234 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 36 2.966 -2.530 -0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.118 -3.456 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.606 -3.947 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.921 -2.463 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.258 -1.648 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.536 -4.081 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.252 -4.887 -3.855 1.00 0.00 H new ATOM 463 N CYS A 37 4.054 -0.344 0.188 1.00 0.00 N ATOM 464 CA CYS A 37 4.884 0.626 0.883 1.00 0.00 C ATOM 465 C CYS A 37 5.793 -0.056 1.899 1.00 0.00 C ATOM 466 O CYS A 37 5.335 -0.515 2.940 1.00 0.00 O ATOM 467 CB CYS A 37 4.007 1.664 1.584 1.00 0.00 C ATOM 468 SG CYS A 37 2.443 2.019 0.717 1.00 0.00 S ATOM 0 H CYS A 37 3.102 -0.417 0.546 1.00 0.00 H new ATOM 0 HA CYS A 37 5.511 1.124 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.781 1.313 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.571 2.591 1.688 1.00 0.00 H new ATOM 473 N ALA A 38 7.079 -0.131 1.586 1.00 0.00 N ATOM 474 CA ALA A 38 8.042 -0.752 2.485 1.00 0.00 C ATOM 475 C ALA A 38 9.012 0.291 3.023 1.00 0.00 C ATOM 476 O ALA A 38 8.944 1.462 2.639 1.00 0.00 O ATOM 477 CB ALA A 38 8.791 -1.870 1.779 1.00 0.00 C ATOM 0 H ALA A 38 7.479 0.229 0.719 1.00 0.00 H new ATOM 0 HA ALA A 38 7.501 -1.186 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.505 -2.321 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.083 -2.627 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.323 -1.465 0.918 1.00 0.00 H new ATOM 483 N TRP A 39 9.914 -0.133 3.902 1.00 0.00 N ATOM 484 CA TRP A 39 10.886 0.777 4.495 1.00 0.00 C ATOM 485 C TRP A 39 11.884 1.272 3.453 1.00 0.00 C ATOM 486 O TRP A 39 12.727 0.514 2.971 1.00 0.00 O ATOM 487 CB TRP A 39 11.627 0.097 5.648 1.00 0.00 C ATOM 488 CG TRP A 39 10.876 0.136 6.942 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.585 -0.247 7.150 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.371 0.577 8.209 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.245 -0.066 8.468 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.324 0.437 9.139 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.598 1.079 8.649 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.469 0.776 10.482 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.741 1.416 9.981 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.682 1.261 10.885 1.00 0.00 C ATOM 0 H TRP A 39 9.992 -1.099 4.219 1.00 0.00 H new ATOM 0 HA TRP A 39 10.341 1.637 4.884 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.824 -0.942 5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.595 0.580 5.783 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.925 -0.636 6.389 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.335 -0.273 8.879 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.420 1.202 7.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.653 0.660 11.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.685 1.806 10.331 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.827 1.530 11.921 1.00 0.00 H new ATOM 507 N VAL A 40 11.780 2.548 3.112 1.00 0.00 N ATOM 508 CA VAL A 40 12.667 3.156 2.135 1.00 0.00 C ATOM 509 C VAL A 40 13.731 4.000 2.839 1.00 0.00 C ATOM 510 O VAL A 40 14.753 4.361 2.251 1.00 0.00 O ATOM 511 CB VAL A 40 11.870 4.024 1.128 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.313 5.274 1.797 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.730 4.383 -0.077 1.00 0.00 C ATOM 0 H VAL A 40 11.085 3.185 3.501 1.00 0.00 H new ATOM 0 HA VAL A 40 13.161 2.359 1.579 1.00 0.00 H new ATOM 0 HB VAL A 40 11.024 3.435 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.759 5.862 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.647 4.985 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.134 5.870 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.149 4.992 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.604 4.943 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.052 3.471 -0.579 1.00 0.00 H new ATOM 523 N ASP A 41 13.492 4.286 4.114 1.00 0.00 N ATOM 524 CA ASP A 41 14.415 5.079 4.916 1.00 0.00 C ATOM 525 C ASP A 41 14.207 4.759 6.394 1.00 0.00 C ATOM 526 O ASP A 41 13.563 3.765 6.732 1.00 0.00 O ATOM 527 CB ASP A 41 14.196 6.576 4.657 1.00 0.00 C ATOM 528 CG ASP A 41 15.446 7.412 4.877 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.736 7.759 6.039 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.134 7.738 3.886 1.00 0.00 O ATOM 0 H ASP A 41 12.660 3.977 4.617 1.00 0.00 H new ATOM 0 HA ASP A 41 15.439 4.830 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.850 6.714 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.404 6.939 5.312 1.00 0.00 H new ATOM 535 N THR A 42 14.732 5.601 7.267 1.00 0.00 N ATOM 536 CA THR A 42 14.607 5.404 8.705 1.00 0.00 C ATOM 537 C THR A 42 13.193 5.728 9.184 1.00 0.00 C ATOM 538 O THR A 42 12.862 6.882 9.454 1.00 0.00 O ATOM 539 CB THR A 42 15.615 6.284 9.458 1.00 0.00 C ATOM 540 OG1 THR A 42 16.729 6.570 8.601 1.00 0.00 O ATOM 541 CG2 THR A 42 16.103 5.594 10.722 1.00 0.00 C ATOM 0 H THR A 42 15.254 6.437 7.004 1.00 0.00 H new ATOM 0 HA THR A 42 14.816 4.355 8.914 1.00 0.00 H new ATOM 0 HB THR A 42 15.120 7.212 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.373 7.133 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.816 6.239 11.236 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.256 5.394 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.588 4.654 10.459 1.00 0.00 H new ATOM 549 N GLY A 43 12.354 4.702 9.263 1.00 0.00 N ATOM 550 CA GLY A 43 10.982 4.894 9.701 1.00 0.00 C ATOM 551 C GLY A 43 10.114 5.481 8.609 1.00 0.00 C ATOM 552 O GLY A 43 8.979 5.886 8.851 1.00 0.00 O ATOM 0 H GLY A 43 12.598 3.739 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.566 3.938 10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.968 5.553 10.569 1.00 0.00 H new ATOM 556 N VAL A 44 10.650 5.526 7.401 1.00 0.00 N ATOM 557 CA VAL A 44 9.926 6.074 6.269 1.00 0.00 C ATOM 558 C VAL A 44 9.531 4.965 5.312 1.00 0.00 C ATOM 559 O VAL A 44 10.389 4.229 4.818 1.00 0.00 O ATOM 560 CB VAL A 44 10.767 7.122 5.510 1.00 0.00 C ATOM 561 CG1 VAL A 44 9.937 7.806 4.431 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.356 8.147 6.469 1.00 0.00 C ATOM 0 H VAL A 44 11.587 5.188 7.180 1.00 0.00 H new ATOM 0 HA VAL A 44 9.034 6.563 6.659 1.00 0.00 H new ATOM 0 HB VAL A 44 11.592 6.601 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.551 8.540 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.580 7.061 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.085 8.307 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.944 8.874 5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.550 8.660 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.997 7.642 7.192 1.00 0.00 H new ATOM 572 N LEU A 45 8.241 4.837 5.075 1.00 0.00 N ATOM 573 CA LEU A 45 7.724 3.830 4.171 1.00 0.00 C ATOM 574 C LEU A 45 7.180 4.498 2.914 1.00 0.00 C ATOM 575 O LEU A 45 6.512 5.531 2.992 1.00 0.00 O ATOM 576 CB LEU A 45 6.628 3.006 4.848 1.00 0.00 C ATOM 577 CG LEU A 45 7.102 2.063 5.956 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.123 2.773 7.300 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.207 0.837 6.023 1.00 0.00 C ATOM 0 H LEU A 45 7.525 5.425 5.501 1.00 0.00 H new ATOM 0 HA LEU A 45 8.536 3.156 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.890 3.690 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.118 2.416 4.086 1.00 0.00 H new ATOM 0 HG LEU A 45 8.118 1.746 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.463 2.082 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.801 3.625 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.119 3.122 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.556 0.175 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.183 1.145 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.240 0.310 5.069 1.00 0.00 H new ATOM 591 N ALA A 46 7.469 3.916 1.763 1.00 0.00 N ATOM 592 CA ALA A 46 7.013 4.467 0.496 1.00 0.00 C ATOM 593 C ALA A 46 6.607 3.349 -0.458 1.00 0.00 C ATOM 594 O ALA A 46 7.139 2.242 -0.384 1.00 0.00 O ATOM 595 CB ALA A 46 8.101 5.335 -0.115 1.00 0.00 C ATOM 0 H ALA A 46 8.018 3.061 1.678 1.00 0.00 H new ATOM 0 HA ALA A 46 6.136 5.089 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.751 5.743 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.340 6.152 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.993 4.733 -0.286 1.00 0.00 H new ATOM 601 N CYS A 47 5.664 3.636 -1.346 1.00 0.00 N ATOM 602 CA CYS A 47 5.180 2.639 -2.295 1.00 0.00 C ATOM 603 C CYS A 47 5.368 3.114 -3.728 1.00 0.00 C ATOM 604 O CYS A 47 5.424 4.312 -3.988 1.00 0.00 O ATOM 605 CB CYS A 47 3.703 2.342 -2.038 1.00 0.00 C ATOM 606 SG CYS A 47 2.961 3.360 -0.719 1.00 0.00 S ATOM 0 H CYS A 47 5.219 4.550 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 47 5.761 1.728 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.145 2.499 -2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.595 1.290 -1.775 1.00 0.00 H new ATOM 611 N ASN A 48 5.461 2.167 -4.652 1.00 0.00 N ATOM 612 CA ASN A 48 5.645 2.479 -6.065 1.00 0.00 C ATOM 613 C ASN A 48 4.304 2.738 -6.748 1.00 0.00 C ATOM 614 O ASN A 48 3.349 1.988 -6.567 1.00 0.00 O ATOM 615 CB ASN A 48 6.382 1.335 -6.779 1.00 0.00 C ATOM 616 CG ASN A 48 5.688 -0.012 -6.641 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.979 -0.271 -5.670 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.900 -0.887 -7.610 1.00 0.00 N ATOM 0 H ASN A 48 5.412 1.169 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 48 6.248 3.385 -6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.478 1.579 -7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.392 1.257 -6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.469 -1.811 -7.566 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.494 -0.638 -8.401 1.00 0.00 H new ATOM 625 N PRO A 49 4.215 3.802 -7.561 1.00 0.00 N ATOM 626 CA PRO A 49 2.992 4.143 -8.271 1.00 0.00 C ATOM 627 C PRO A 49 2.875 3.395 -9.597 1.00 0.00 C ATOM 628 O PRO A 49 1.887 3.528 -10.320 1.00 0.00 O ATOM 629 CB PRO A 49 3.121 5.647 -8.500 1.00 0.00 C ATOM 630 CG PRO A 49 4.589 5.937 -8.488 1.00 0.00 C ATOM 631 CD PRO A 49 5.292 4.762 -7.844 1.00 0.00 C ATOM 0 HA PRO A 49 2.098 3.868 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.673 5.938 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.605 6.207 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.955 6.091 -9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.792 6.853 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.041 4.334 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.809 5.060 -6.932 1.00 0.00 H new ATOM 639 N ALA A 50 3.885 2.594 -9.898 1.00 0.00 N ATOM 640 CA ALA A 50 3.912 1.816 -11.125 1.00 0.00 C ATOM 641 C ALA A 50 2.976 0.618 -11.035 1.00 0.00 C ATOM 642 O ALA A 50 2.363 0.226 -12.026 1.00 0.00 O ATOM 643 CB ALA A 50 5.331 1.367 -11.426 1.00 0.00 C ATOM 0 H ALA A 50 4.703 2.466 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 50 3.563 2.449 -11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.341 0.785 -12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.972 2.241 -11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.700 0.753 -10.605 1.00 0.00 H new ATOM 649 N ASP A 51 2.862 0.041 -9.846 1.00 0.00 N ATOM 650 CA ASP A 51 1.997 -1.118 -9.647 1.00 0.00 C ATOM 651 C ASP A 51 0.953 -0.850 -8.571 1.00 0.00 C ATOM 652 O ASP A 51 0.277 -1.766 -8.102 1.00 0.00 O ATOM 653 CB ASP A 51 2.821 -2.351 -9.277 1.00 0.00 C ATOM 654 CG ASP A 51 3.164 -3.205 -10.483 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.245 -3.795 -11.089 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.359 -3.304 -10.825 1.00 0.00 O ATOM 0 H ASP A 51 3.354 0.353 -9.008 1.00 0.00 H new ATOM 0 HA ASP A 51 1.480 -1.307 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.742 -2.035 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.266 -2.952 -8.557 1.00 0.00 H new ATOM 661 N PHE A 52 0.818 0.409 -8.181 1.00 0.00 N ATOM 662 CA PHE A 52 -0.158 0.784 -7.169 1.00 0.00 C ATOM 663 C PHE A 52 -1.543 0.883 -7.797 1.00 0.00 C ATOM 664 O PHE A 52 -1.670 1.040 -9.013 1.00 0.00 O ATOM 665 CB PHE A 52 0.241 2.112 -6.497 1.00 0.00 C ATOM 666 CG PHE A 52 -0.542 3.320 -6.951 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.383 3.836 -8.229 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.434 3.942 -6.093 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.098 4.942 -8.641 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.151 5.051 -6.500 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.983 5.551 -7.775 1.00 0.00 C ATOM 0 H PHE A 52 1.369 1.185 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.182 0.015 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.122 2.006 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.299 2.293 -6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.310 3.366 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.571 3.556 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.965 5.330 -9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.843 5.526 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.543 6.417 -8.095 1.00 0.00 H new ATOM 681 N SER A 53 -2.571 0.779 -6.981 1.00 0.00 N ATOM 682 CA SER A 53 -3.935 0.863 -7.464 1.00 0.00 C ATOM 683 C SER A 53 -4.810 1.550 -6.428 1.00 0.00 C ATOM 684 O SER A 53 -5.155 0.963 -5.404 1.00 0.00 O ATOM 685 CB SER A 53 -4.472 -0.532 -7.791 1.00 0.00 C ATOM 686 OG SER A 53 -3.736 -1.127 -8.853 1.00 0.00 O ATOM 0 H SER A 53 -2.488 0.635 -5.975 1.00 0.00 H new ATOM 0 HA SER A 53 -3.952 1.455 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.414 -1.164 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.524 -0.465 -8.067 1.00 0.00 H new ATOM 0 HG SER A 53 -4.097 -2.018 -9.042 1.00 0.00 H new ATOM 692 N SER A 54 -5.131 2.806 -6.683 1.00 0.00 N ATOM 693 CA SER A 54 -5.959 3.577 -5.774 1.00 0.00 C ATOM 694 C SER A 54 -7.421 3.185 -5.925 1.00 0.00 C ATOM 695 O SER A 54 -7.878 2.876 -7.027 1.00 0.00 O ATOM 696 CB SER A 54 -5.781 5.071 -6.044 1.00 0.00 C ATOM 697 OG SER A 54 -5.479 5.303 -7.410 1.00 0.00 O ATOM 0 H SER A 54 -4.830 3.314 -7.514 1.00 0.00 H new ATOM 0 HA SER A 54 -5.648 3.363 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.691 5.605 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.981 5.466 -5.418 1.00 0.00 H new ATOM 0 HG SER A 54 -4.507 5.331 -7.530 1.00 0.00 H new ATOM 703 N VAL A 55 -8.147 3.191 -4.826 1.00 0.00 N ATOM 704 CA VAL A 55 -9.549 2.834 -4.847 1.00 0.00 C ATOM 705 C VAL A 55 -10.367 3.852 -4.059 1.00 0.00 C ATOM 706 O VAL A 55 -10.035 4.195 -2.924 1.00 0.00 O ATOM 707 CB VAL A 55 -9.778 1.405 -4.299 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.070 1.203 -2.968 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.262 1.100 -4.178 1.00 0.00 C ATOM 0 H VAL A 55 -7.787 3.440 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.883 2.845 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.346 0.704 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.251 0.189 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.999 1.356 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.453 1.918 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.395 0.090 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.726 1.814 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.731 1.177 -5.159 1.00 0.00 H new ATOM 719 N THR A 56 -11.407 4.369 -4.685 1.00 0.00 N ATOM 720 CA THR A 56 -12.265 5.341 -4.040 1.00 0.00 C ATOM 721 C THR A 56 -13.351 4.637 -3.228 1.00 0.00 C ATOM 722 O THR A 56 -13.918 3.631 -3.669 1.00 0.00 O ATOM 723 CB THR A 56 -12.893 6.313 -5.070 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.589 7.375 -4.400 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.848 5.591 -6.012 1.00 0.00 C ATOM 0 H THR A 56 -11.677 4.131 -5.639 1.00 0.00 H new ATOM 0 HA THR A 56 -11.651 5.933 -3.361 1.00 0.00 H new ATOM 0 HB THR A 56 -12.078 6.730 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.978 7.981 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.269 6.304 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.307 4.817 -6.556 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.652 5.135 -5.435 1.00 0.00 H new ATOM 733 N ALA A 57 -13.614 5.151 -2.033 1.00 0.00 N ATOM 734 CA ALA A 57 -14.622 4.571 -1.161 1.00 0.00 C ATOM 735 C ALA A 57 -16.003 4.731 -1.775 1.00 0.00 C ATOM 736 O ALA A 57 -16.418 5.845 -2.102 1.00 0.00 O ATOM 737 CB ALA A 57 -14.561 5.213 0.218 1.00 0.00 C ATOM 0 H ALA A 57 -13.142 5.969 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.421 3.506 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.322 4.769 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.576 5.046 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.742 6.284 0.129 1.00 0.00 H new ATOM 743 N ASP A 58 -16.701 3.615 -1.938 1.00 0.00 N ATOM 744 CA ASP A 58 -18.035 3.621 -2.524 1.00 0.00 C ATOM 745 C ASP A 58 -19.049 4.266 -1.586 1.00 0.00 C ATOM 746 O ASP A 58 -18.707 4.689 -0.482 1.00 0.00 O ATOM 747 CB ASP A 58 -18.485 2.198 -2.892 1.00 0.00 C ATOM 748 CG ASP A 58 -18.385 1.206 -1.746 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.806 1.531 -0.617 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.899 0.083 -1.977 1.00 0.00 O ATOM 0 H ASP A 58 -16.364 2.690 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.985 4.215 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.517 2.233 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.879 1.839 -3.724 1.00 0.00 H new ATOM 755 N ALA A 59 -20.306 4.304 -2.020 1.00 0.00 N ATOM 756 CA ALA A 59 -21.382 4.912 -1.238 1.00 0.00 C ATOM 757 C ALA A 59 -21.721 4.097 0.007 1.00 0.00 C ATOM 758 O ALA A 59 -22.486 4.546 0.864 1.00 0.00 O ATOM 759 CB ALA A 59 -22.620 5.092 -2.103 1.00 0.00 C ATOM 0 H ALA A 59 -20.607 3.918 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.030 5.887 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.415 5.545 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.383 5.739 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.951 4.121 -2.471 1.00 0.00 H new ATOM 765 N ASN A 60 -21.160 2.899 0.107 1.00 0.00 N ATOM 766 CA ASN A 60 -21.400 2.037 1.256 1.00 0.00 C ATOM 767 C ASN A 60 -20.283 2.231 2.272 1.00 0.00 C ATOM 768 O ASN A 60 -20.326 1.690 3.375 1.00 0.00 O ATOM 769 CB ASN A 60 -21.473 0.557 0.846 1.00 0.00 C ATOM 770 CG ASN A 60 -22.488 0.275 -0.252 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.418 1.051 -0.478 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.321 -0.847 -0.939 1.00 0.00 N ATOM 0 H ASN A 60 -20.535 2.502 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.360 2.311 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.488 0.234 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.723 -0.041 1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.975 -1.092 -1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.539 -1.465 -0.724 1.00 0.00 H new ATOM 779 N GLY A 61 -19.273 3.001 1.875 1.00 0.00 N ATOM 780 CA GLY A 61 -18.148 3.273 2.746 1.00 0.00 C ATOM 781 C GLY A 61 -17.100 2.181 2.682 1.00 0.00 C ATOM 782 O GLY A 61 -16.379 1.940 3.654 1.00 0.00 O ATOM 0 H GLY A 61 -19.216 3.443 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.696 4.225 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.501 3.376 3.772 1.00 0.00 H new ATOM 786 N SER A 62 -17.016 1.515 1.543 1.00 0.00 N ATOM 787 CA SER A 62 -16.058 0.438 1.364 1.00 0.00 C ATOM 788 C SER A 62 -15.130 0.703 0.183 1.00 0.00 C ATOM 789 O SER A 62 -15.464 1.462 -0.727 1.00 0.00 O ATOM 790 CB SER A 62 -16.801 -0.883 1.164 1.00 0.00 C ATOM 791 OG SER A 62 -18.203 -0.670 1.084 1.00 0.00 O ATOM 0 H SER A 62 -17.600 1.701 0.728 1.00 0.00 H new ATOM 0 HA SER A 62 -15.442 0.379 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.450 -1.367 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.578 -1.558 1.990 1.00 0.00 H new ATOM 0 HG SER A 62 -18.395 -0.018 0.378 1.00 0.00 H new ATOM 797 N ALA A 63 -13.959 0.088 0.217 1.00 0.00 N ATOM 798 CA ALA A 63 -12.972 0.226 -0.844 1.00 0.00 C ATOM 799 C ALA A 63 -12.136 -1.043 -0.927 1.00 0.00 C ATOM 800 O ALA A 63 -11.535 -1.462 0.063 1.00 0.00 O ATOM 801 CB ALA A 63 -12.083 1.439 -0.588 1.00 0.00 C ATOM 0 H ALA A 63 -13.665 -0.521 0.980 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.484 0.377 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.350 1.529 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.697 2.339 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.566 1.317 0.364 1.00 0.00 H new ATOM 807 N SER A 64 -12.114 -1.671 -2.091 1.00 0.00 N ATOM 808 CA SER A 64 -11.348 -2.892 -2.265 1.00 0.00 C ATOM 809 C SER A 64 -10.569 -2.874 -3.578 1.00 0.00 C ATOM 810 O SER A 64 -11.036 -2.342 -4.587 1.00 0.00 O ATOM 811 CB SER A 64 -12.283 -4.105 -2.214 1.00 0.00 C ATOM 812 OG SER A 64 -11.549 -5.311 -2.091 1.00 0.00 O ATOM 0 H SER A 64 -12.614 -1.358 -2.923 1.00 0.00 H new ATOM 0 HA SER A 64 -10.626 -2.962 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.968 -4.005 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.892 -4.137 -3.118 1.00 0.00 H new ATOM 0 HG SER A 64 -10.688 -5.127 -1.660 1.00 0.00 H new ATOM 818 N THR A 65 -9.373 -3.449 -3.550 1.00 0.00 N ATOM 819 CA THR A 65 -8.525 -3.518 -4.730 1.00 0.00 C ATOM 820 C THR A 65 -7.410 -4.550 -4.529 1.00 0.00 C ATOM 821 O THR A 65 -7.179 -5.018 -3.408 1.00 0.00 O ATOM 822 CB THR A 65 -7.923 -2.134 -5.069 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.436 -2.118 -6.421 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.799 -1.772 -4.108 1.00 0.00 C ATOM 0 H THR A 65 -8.968 -3.876 -2.717 1.00 0.00 H new ATOM 0 HA THR A 65 -9.145 -3.830 -5.570 1.00 0.00 H new ATOM 0 HB THR A 65 -8.714 -1.391 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.059 -1.236 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.396 -0.794 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.186 -1.742 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.009 -2.520 -4.174 1.00 0.00 H new ATOM 832 N SER A 66 -6.738 -4.910 -5.617 1.00 0.00 N ATOM 833 CA SER A 66 -5.651 -5.879 -5.576 1.00 0.00 C ATOM 834 C SER A 66 -4.324 -5.212 -5.942 1.00 0.00 C ATOM 835 O SER A 66 -4.250 -4.433 -6.893 1.00 0.00 O ATOM 836 CB SER A 66 -5.948 -7.032 -6.534 1.00 0.00 C ATOM 837 OG SER A 66 -7.127 -7.720 -6.144 1.00 0.00 O ATOM 0 H SER A 66 -6.931 -4.540 -6.548 1.00 0.00 H new ATOM 0 HA SER A 66 -5.568 -6.272 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.064 -6.648 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.106 -7.724 -6.550 1.00 0.00 H new ATOM 0 HG SER A 66 -7.300 -8.453 -6.771 1.00 0.00 H new ATOM 843 N LEU A 67 -3.285 -5.513 -5.173 1.00 0.00 N ATOM 844 CA LEU A 67 -1.967 -4.928 -5.403 1.00 0.00 C ATOM 845 C LEU A 67 -0.943 -5.999 -5.746 1.00 0.00 C ATOM 846 O LEU A 67 -0.756 -6.957 -4.994 1.00 0.00 O ATOM 847 CB LEU A 67 -1.492 -4.160 -4.160 1.00 0.00 C ATOM 848 CG LEU A 67 -2.250 -2.873 -3.828 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.415 -2.014 -5.069 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.602 -3.189 -3.206 1.00 0.00 C ATOM 0 H LEU A 67 -3.328 -6.159 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.058 -4.241 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.557 -4.827 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.439 -3.912 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.666 -2.311 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.956 -1.104 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.433 -1.753 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.974 -2.568 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.124 -2.260 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.196 -3.776 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.456 -3.758 -2.288 1.00 0.00 H new ATOM 862 N THR A 68 -0.279 -5.834 -6.877 1.00 0.00 N ATOM 863 CA THR A 68 0.740 -6.781 -7.304 1.00 0.00 C ATOM 864 C THR A 68 2.084 -6.418 -6.679 1.00 0.00 C ATOM 865 O THR A 68 2.769 -5.502 -7.141 1.00 0.00 O ATOM 866 CB THR A 68 0.876 -6.811 -8.839 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.382 -6.487 -9.446 1.00 0.00 O ATOM 868 CG2 THR A 68 1.327 -8.185 -9.318 1.00 0.00 C ATOM 0 H THR A 68 -0.426 -5.054 -7.517 1.00 0.00 H new ATOM 0 HA THR A 68 0.434 -7.772 -6.970 1.00 0.00 H new ATOM 0 HB THR A 68 1.626 -6.075 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.289 -6.506 -10.421 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.416 -8.181 -10.404 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.294 -8.425 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.595 -8.934 -9.017 1.00 0.00 H new ATOM 876 N VAL A 69 2.440 -7.125 -5.613 1.00 0.00 N ATOM 877 CA VAL A 69 3.694 -6.869 -4.917 1.00 0.00 C ATOM 878 C VAL A 69 4.890 -7.387 -5.719 1.00 0.00 C ATOM 879 O VAL A 69 4.937 -8.555 -6.118 1.00 0.00 O ATOM 880 CB VAL A 69 3.695 -7.485 -3.495 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.442 -8.985 -3.530 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.999 -7.176 -2.779 1.00 0.00 C ATOM 0 H VAL A 69 1.880 -7.878 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 69 3.787 -5.788 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 69 2.876 -7.029 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.450 -9.379 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.472 -9.180 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.222 -9.472 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.980 -7.617 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.832 -7.593 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.121 -6.096 -2.696 1.00 0.00 H new ATOM 892 N ARG A 70 5.840 -6.500 -5.975 1.00 0.00 N ATOM 893 CA ARG A 70 7.040 -6.851 -6.718 1.00 0.00 C ATOM 894 C ARG A 70 8.199 -7.120 -5.766 1.00 0.00 C ATOM 895 O ARG A 70 8.121 -6.819 -4.572 1.00 0.00 O ATOM 896 CB ARG A 70 7.421 -5.728 -7.688 1.00 0.00 C ATOM 897 CG ARG A 70 6.286 -5.278 -8.593 1.00 0.00 C ATOM 898 CD ARG A 70 5.962 -6.314 -9.654 1.00 0.00 C ATOM 899 NE ARG A 70 4.778 -5.939 -10.419 1.00 0.00 N ATOM 900 CZ ARG A 70 4.103 -6.755 -11.221 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.533 -7.992 -11.443 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.003 -6.316 -11.823 1.00 0.00 N ATOM 0 H ARG A 70 5.802 -5.525 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 70 6.831 -7.756 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.775 -4.872 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.253 -6.064 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.398 -5.084 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.556 -4.338 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.812 -6.426 -10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.800 -7.283 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 70 4.444 -4.979 -10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.388 -8.323 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.008 -8.611 -12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.684 -5.360 -11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.478 -6.935 -12.441 1.00 0.00 H new ATOM 916 N ARG A 71 9.279 -7.674 -6.303 1.00 0.00 N ATOM 917 CA ARG A 71 10.458 -7.976 -5.505 1.00 0.00 C ATOM 918 C ARG A 71 11.293 -6.713 -5.319 1.00 0.00 C ATOM 919 O ARG A 71 11.872 -6.483 -4.256 1.00 0.00 O ATOM 920 CB ARG A 71 11.296 -9.070 -6.175 1.00 0.00 C ATOM 921 CG ARG A 71 12.375 -9.655 -5.273 1.00 0.00 C ATOM 922 CD ARG A 71 11.795 -10.645 -4.278 1.00 0.00 C ATOM 923 NE ARG A 71 11.216 -11.809 -4.938 1.00 0.00 N ATOM 924 CZ ARG A 71 11.437 -13.070 -4.563 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.198 -13.343 -3.515 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.863 -14.059 -5.230 1.00 0.00 N ATOM 0 H ARG A 71 9.362 -7.923 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 71 10.137 -8.339 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.635 -9.872 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.766 -8.659 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.130 -10.151 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.877 -8.850 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.577 -10.969 -3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.030 -10.151 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 71 10.603 -11.649 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.624 -12.584 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.358 -14.312 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.257 -13.854 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.027 -15.026 -4.950 1.00 0.00 H new ATOM 940 N SER A 72 11.347 -5.904 -6.363 1.00 0.00 N ATOM 941 CA SER A 72 12.095 -4.659 -6.337 1.00 0.00 C ATOM 942 C SER A 72 11.224 -3.528 -6.878 1.00 0.00 C ATOM 943 O SER A 72 10.609 -3.664 -7.938 1.00 0.00 O ATOM 944 CB SER A 72 13.368 -4.801 -7.171 1.00 0.00 C ATOM 945 OG SER A 72 13.968 -6.070 -6.969 1.00 0.00 O ATOM 0 H SER A 72 10.876 -6.090 -7.248 1.00 0.00 H new ATOM 0 HA SER A 72 12.377 -4.425 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.132 -4.670 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.073 -4.014 -6.902 1.00 0.00 H new ATOM 0 HG SER A 72 14.652 -6.001 -6.271 1.00 0.00 H new ATOM 951 N PHE A 73 11.165 -2.420 -6.151 1.00 0.00 N ATOM 952 CA PHE A 73 10.343 -1.289 -6.562 1.00 0.00 C ATOM 953 C PHE A 73 10.955 0.029 -6.111 1.00 0.00 C ATOM 954 O PHE A 73 11.918 0.046 -5.349 1.00 0.00 O ATOM 955 CB PHE A 73 8.930 -1.433 -5.981 1.00 0.00 C ATOM 956 CG PHE A 73 8.857 -1.225 -4.489 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.170 -2.254 -3.614 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.477 0.001 -3.962 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.107 -2.063 -2.247 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.411 0.196 -2.599 1.00 0.00 C ATOM 961 CZ PHE A 73 8.727 -0.836 -1.739 1.00 0.00 C ATOM 0 H PHE A 73 11.674 -2.280 -5.278 1.00 0.00 H new ATOM 0 HA PHE A 73 10.291 -1.285 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.272 -0.715 -6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.550 -2.427 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.466 -3.216 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.230 0.814 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.355 -2.872 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.112 1.156 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.677 -0.685 -0.671 1.00 0.00 H new ATOM 971 N GLU A 74 10.399 1.130 -6.587 1.00 0.00 N ATOM 972 CA GLU A 74 10.882 2.445 -6.206 1.00 0.00 C ATOM 973 C GLU A 74 9.919 3.076 -5.212 1.00 0.00 C ATOM 974 O GLU A 74 8.721 3.167 -5.470 1.00 0.00 O ATOM 975 CB GLU A 74 11.041 3.351 -7.429 1.00 0.00 C ATOM 976 CG GLU A 74 12.093 2.869 -8.411 1.00 0.00 C ATOM 977 CD GLU A 74 11.486 2.341 -9.688 1.00 0.00 C ATOM 978 OE1 GLU A 74 11.263 3.144 -10.617 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.216 1.127 -9.770 1.00 0.00 O ATOM 0 H GLU A 74 9.613 1.139 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 74 11.862 2.330 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.083 3.424 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.301 4.355 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.771 3.690 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.691 2.086 -7.944 1.00 0.00 H new ATOM 986 N GLY A 75 10.444 3.491 -4.073 1.00 0.00 N ATOM 987 CA GLY A 75 9.617 4.098 -3.058 1.00 0.00 C ATOM 988 C GLY A 75 9.189 5.503 -3.427 1.00 0.00 C ATOM 989 O GLY A 75 10.030 6.366 -3.695 1.00 0.00 O ATOM 0 H GLY A 75 11.433 3.418 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.732 3.482 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.163 4.123 -2.115 1.00 0.00 H new ATOM 993 N PHE A 76 7.882 5.730 -3.437 1.00 0.00 N ATOM 994 CA PHE A 76 7.323 7.033 -3.773 1.00 0.00 C ATOM 995 C PHE A 76 6.372 7.480 -2.677 1.00 0.00 C ATOM 996 O PHE A 76 5.748 6.650 -2.013 1.00 0.00 O ATOM 997 CB PHE A 76 6.563 6.970 -5.102 1.00 0.00 C ATOM 998 CG PHE A 76 7.406 7.190 -6.327 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.334 6.246 -6.734 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.253 8.339 -7.083 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.096 6.448 -7.869 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.010 8.545 -8.219 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.933 7.598 -8.613 1.00 0.00 C ATOM 0 H PHE A 76 7.183 5.021 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 76 8.143 7.745 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.081 5.996 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.770 7.718 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.464 5.342 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.532 9.084 -6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.819 5.706 -8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.880 9.447 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.526 7.757 -9.501 1.00 0.00 H new ATOM 1013 N LEU A 77 6.278 8.781 -2.475 1.00 0.00 N ATOM 1014 CA LEU A 77 5.385 9.322 -1.467 1.00 0.00 C ATOM 1015 C LEU A 77 4.009 9.577 -2.080 1.00 0.00 C ATOM 1016 O LEU A 77 3.801 9.352 -3.276 1.00 0.00 O ATOM 1017 CB LEU A 77 5.952 10.615 -0.870 1.00 0.00 C ATOM 1018 CG LEU A 77 7.388 10.533 -0.348 1.00 0.00 C ATOM 1019 CD1 LEU A 77 7.788 11.849 0.299 1.00 0.00 C ATOM 1020 CD2 LEU A 77 7.546 9.379 0.630 1.00 0.00 C ATOM 0 H LEU A 77 6.808 9.481 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 77 5.289 8.594 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.906 11.395 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.305 10.929 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 77 8.051 10.347 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.812 11.778 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.721 12.651 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.118 12.064 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.575 9.342 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.874 9.524 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.302 8.442 0.130 1.00 0.00 H new ATOM 1032 N PHE A 78 3.075 10.071 -1.275 1.00 0.00 N ATOM 1033 CA PHE A 78 1.718 10.338 -1.752 1.00 0.00 C ATOM 1034 C PHE A 78 1.650 11.623 -2.578 1.00 0.00 C ATOM 1035 O PHE A 78 0.594 11.979 -3.102 1.00 0.00 O ATOM 1036 CB PHE A 78 0.738 10.427 -0.577 1.00 0.00 C ATOM 1037 CG PHE A 78 0.462 9.105 0.095 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.372 7.935 -0.648 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.287 9.032 1.468 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.120 6.723 -0.034 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.034 7.822 2.086 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.049 6.668 1.335 1.00 0.00 C ATOM 0 H PHE A 78 3.229 10.295 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 78 1.434 9.505 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.136 11.122 0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.203 10.845 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.501 7.973 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.349 9.932 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.055 5.821 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.099 7.780 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.246 5.722 1.818 1.00 0.00 H new ATOM 1052 N ASP A 79 2.774 12.313 -2.695 1.00 0.00 N ATOM 1053 CA ASP A 79 2.831 13.551 -3.463 1.00 0.00 C ATOM 1054 C ASP A 79 3.505 13.316 -4.816 1.00 0.00 C ATOM 1055 O ASP A 79 3.450 14.166 -5.702 1.00 0.00 O ATOM 1056 CB ASP A 79 3.585 14.635 -2.680 1.00 0.00 C ATOM 1057 CG ASP A 79 5.064 14.335 -2.529 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.446 13.149 -2.599 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.853 15.286 -2.340 1.00 0.00 O ATOM 0 H ASP A 79 3.659 12.039 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 79 1.810 13.890 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.464 15.592 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.138 14.739 -1.691 1.00 0.00 H new ATOM 1064 N GLY A 80 4.133 12.154 -4.962 1.00 0.00 N ATOM 1065 CA GLY A 80 4.812 11.819 -6.201 1.00 0.00 C ATOM 1066 C GLY A 80 6.326 11.882 -6.065 1.00 0.00 C ATOM 1067 O GLY A 80 7.058 11.623 -7.024 1.00 0.00 O ATOM 0 H GLY A 80 4.184 11.435 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.519 10.817 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.491 12.504 -6.985 1.00 0.00 H new ATOM 1071 N THR A 81 6.800 12.232 -4.876 1.00 0.00 N ATOM 1072 CA THR A 81 8.230 12.327 -4.620 1.00 0.00 C ATOM 1073 C THR A 81 8.858 10.942 -4.506 1.00 0.00 C ATOM 1074 O THR A 81 8.302 10.047 -3.870 1.00 0.00 O ATOM 1075 CB THR A 81 8.495 13.138 -3.335 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.058 14.488 -3.525 1.00 0.00 O ATOM 1077 CG2 THR A 81 9.969 13.126 -2.951 1.00 0.00 C ATOM 0 H THR A 81 6.213 12.455 -4.072 1.00 0.00 H new ATOM 0 HA THR A 81 8.689 12.843 -5.463 1.00 0.00 H new ATOM 0 HB THR A 81 7.937 12.672 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.477 14.751 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.113 13.708 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.292 12.099 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.559 13.562 -3.758 1.00 0.00 H new ATOM 1085 N ARG A 82 10.010 10.766 -5.141 1.00 0.00 N ATOM 1086 CA ARG A 82 10.713 9.492 -5.107 1.00 0.00 C ATOM 1087 C ARG A 82 11.782 9.528 -4.028 1.00 0.00 C ATOM 1088 O ARG A 82 12.444 10.547 -3.837 1.00 0.00 O ATOM 1089 CB ARG A 82 11.340 9.152 -6.466 1.00 0.00 C ATOM 1090 CG ARG A 82 11.719 10.359 -7.316 1.00 0.00 C ATOM 1091 CD ARG A 82 10.550 10.824 -8.176 1.00 0.00 C ATOM 1092 NE ARG A 82 10.878 12.008 -8.964 1.00 0.00 N ATOM 1093 CZ ARG A 82 9.973 12.864 -9.444 1.00 0.00 C ATOM 1094 NH1 ARG A 82 8.682 12.698 -9.179 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.363 13.903 -10.169 1.00 0.00 N ATOM 0 H ARG A 82 10.477 11.491 -5.686 1.00 0.00 H new ATOM 0 HA ARG A 82 9.988 8.711 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.233 8.549 -6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.640 8.535 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.043 11.174 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.564 10.104 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.250 10.017 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.695 11.042 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 82 11.862 12.193 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.376 11.912 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.997 13.356 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.354 14.048 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.672 14.557 -10.536 1.00 0.00 H new ATOM 1109 N TRP A 83 11.936 8.424 -3.314 1.00 0.00 N ATOM 1110 CA TRP A 83 12.919 8.350 -2.242 1.00 0.00 C ATOM 1111 C TRP A 83 14.095 7.449 -2.614 1.00 0.00 C ATOM 1112 O TRP A 83 15.243 7.744 -2.276 1.00 0.00 O ATOM 1113 CB TRP A 83 12.255 7.844 -0.964 1.00 0.00 C ATOM 1114 CG TRP A 83 12.925 8.322 0.287 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.030 7.788 0.877 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.532 9.433 1.097 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.353 8.500 2.004 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.447 9.516 2.162 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.496 10.365 1.024 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.356 10.497 3.148 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.405 11.337 2.002 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.330 11.397 3.051 1.00 0.00 C ATOM 0 H TRP A 83 11.396 7.570 -3.455 1.00 0.00 H new ATOM 0 HA TRP A 83 13.311 9.354 -2.078 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.213 8.164 -0.954 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.253 6.754 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.573 6.929 0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.139 8.305 2.624 1.00 0.00 H new ATOM 0 HE3 TRP A 83 10.778 10.327 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.069 10.545 3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.607 12.063 1.956 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.232 12.170 3.799 1.00 0.00 H new ATOM 1133 N GLY A 84 13.810 6.351 -3.298 1.00 0.00 N ATOM 1134 CA GLY A 84 14.863 5.434 -3.695 1.00 0.00 C ATOM 1135 C GLY A 84 14.322 4.062 -4.041 1.00 0.00 C ATOM 1136 O GLY A 84 13.129 3.801 -3.868 1.00 0.00 O ATOM 0 H GLY A 84 12.871 6.077 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.393 5.842 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.589 5.344 -2.887 1.00 0.00 H new ATOM 1140 N THR A 85 15.192 3.186 -4.526 1.00 0.00 N ATOM 1141 CA THR A 85 14.793 1.840 -4.898 1.00 0.00 C ATOM 1142 C THR A 85 14.842 0.889 -3.702 1.00 0.00 C ATOM 1143 O THR A 85 15.887 0.709 -3.076 1.00 0.00 O ATOM 1144 CB THR A 85 15.695 1.281 -6.013 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.199 2.355 -6.821 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.931 0.297 -6.882 1.00 0.00 C ATOM 0 H THR A 85 16.182 3.387 -4.670 1.00 0.00 H new ATOM 0 HA THR A 85 13.767 1.907 -5.259 1.00 0.00 H new ATOM 0 HB THR A 85 16.530 0.756 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.773 1.992 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.588 -0.085 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.577 -0.531 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.079 0.800 -7.339 1.00 0.00 H new ATOM 1154 N VAL A 86 13.703 0.288 -3.394 1.00 0.00 N ATOM 1155 CA VAL A 86 13.602 -0.661 -2.298 1.00 0.00 C ATOM 1156 C VAL A 86 13.595 -2.073 -2.860 1.00 0.00 C ATOM 1157 O VAL A 86 12.821 -2.380 -3.769 1.00 0.00 O ATOM 1158 CB VAL A 86 12.328 -0.443 -1.451 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.253 -1.454 -0.311 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.274 0.977 -0.912 1.00 0.00 C ATOM 0 H VAL A 86 12.828 0.444 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 86 14.462 -0.508 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 86 11.464 -0.595 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.348 -1.280 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.232 -2.464 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.125 -1.342 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.369 1.107 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.147 1.162 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.267 1.682 -1.743 1.00 0.00 H new ATOM 1170 N ASP A 87 14.459 -2.921 -2.338 1.00 0.00 N ATOM 1171 CA ASP A 87 14.549 -4.294 -2.812 1.00 0.00 C ATOM 1172 C ASP A 87 14.212 -5.279 -1.700 1.00 0.00 C ATOM 1173 O ASP A 87 14.813 -5.250 -0.628 1.00 0.00 O ATOM 1174 CB ASP A 87 15.946 -4.577 -3.360 1.00 0.00 C ATOM 1175 CG ASP A 87 16.107 -6.019 -3.789 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.743 -6.349 -4.935 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.596 -6.831 -2.979 1.00 0.00 O ATOM 0 H ASP A 87 15.109 -2.687 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 87 13.822 -4.422 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.141 -3.922 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.689 -4.341 -2.598 1.00 0.00 H new ATOM 1182 N CYS A 88 13.255 -6.151 -1.967 1.00 0.00 N ATOM 1183 CA CYS A 88 12.829 -7.144 -0.993 1.00 0.00 C ATOM 1184 C CYS A 88 13.375 -8.527 -1.339 1.00 0.00 C ATOM 1185 O CYS A 88 12.773 -9.547 -1.001 1.00 0.00 O ATOM 1186 CB CYS A 88 11.299 -7.187 -0.911 1.00 0.00 C ATOM 1187 SG CYS A 88 10.535 -5.647 -0.302 1.00 0.00 S ATOM 0 H CYS A 88 12.755 -6.192 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 88 13.230 -6.854 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.900 -7.410 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 88 11.005 -8.008 -0.257 1.00 0.00 H new ATOM 1192 N THR A 89 14.514 -8.570 -2.014 1.00 0.00 N ATOM 1193 CA THR A 89 15.126 -9.841 -2.361 1.00 0.00 C ATOM 1194 C THR A 89 15.867 -10.391 -1.145 1.00 0.00 C ATOM 1195 O THR A 89 15.916 -11.599 -0.920 1.00 0.00 O ATOM 1196 CB THR A 89 16.096 -9.700 -3.555 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.434 -9.037 -4.640 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.595 -11.059 -4.019 1.00 0.00 C ATOM 0 H THR A 89 15.028 -7.747 -2.329 1.00 0.00 H new ATOM 0 HA THR A 89 14.337 -10.531 -2.660 1.00 0.00 H new ATOM 0 HB THR A 89 16.954 -9.111 -3.229 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.762 -8.116 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.276 -10.929 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 89 17.119 -11.553 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.748 -11.671 -4.329 1.00 0.00 H new ATOM 1206 N THR A 90 16.407 -9.482 -0.344 1.00 0.00 N ATOM 1207 CA THR A 90 17.139 -9.855 0.859 1.00 0.00 C ATOM 1208 C THR A 90 16.406 -9.345 2.103 1.00 0.00 C ATOM 1209 O THR A 90 16.962 -9.309 3.204 1.00 0.00 O ATOM 1210 CB THR A 90 18.585 -9.303 0.823 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.315 -9.721 1.986 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.591 -7.782 0.733 1.00 0.00 C ATOM 0 H THR A 90 16.351 -8.477 -0.507 1.00 0.00 H new ATOM 0 HA THR A 90 17.193 -10.943 0.901 1.00 0.00 H new ATOM 0 HB THR A 90 19.069 -9.706 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.727 -9.690 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.620 -7.423 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.077 -7.469 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.081 -7.364 1.601 1.00 0.00 H new ATOM 1220 N ALA A 91 15.146 -8.972 1.919 1.00 0.00 N ATOM 1221 CA ALA A 91 14.318 -8.460 3.005 1.00 0.00 C ATOM 1222 C ALA A 91 12.850 -8.761 2.723 1.00 0.00 C ATOM 1223 O ALA A 91 12.540 -9.557 1.836 1.00 0.00 O ATOM 1224 CB ALA A 91 14.532 -6.960 3.180 1.00 0.00 C ATOM 0 H ALA A 91 14.670 -9.015 1.018 1.00 0.00 H new ATOM 0 HA ALA A 91 14.608 -8.955 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.906 -6.596 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.579 -6.767 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.264 -6.444 2.258 1.00 0.00 H new ATOM 1230 N ALA A 92 11.953 -8.130 3.468 1.00 0.00 N ATOM 1231 CA ALA A 92 10.524 -8.337 3.281 1.00 0.00 C ATOM 1232 C ALA A 92 9.829 -7.046 2.868 1.00 0.00 C ATOM 1233 O ALA A 92 10.208 -5.956 3.301 1.00 0.00 O ATOM 1234 CB ALA A 92 9.897 -8.891 4.553 1.00 0.00 C ATOM 0 H ALA A 92 12.190 -7.470 4.208 1.00 0.00 H new ATOM 0 HA ALA A 92 10.393 -9.062 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.829 -9.040 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.364 -9.844 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.049 -8.186 5.370 1.00 0.00 H new ATOM 1240 N CYS A 93 8.815 -7.177 2.030 1.00 0.00 N ATOM 1241 CA CYS A 93 8.050 -6.031 1.560 1.00 0.00 C ATOM 1242 C CYS A 93 6.859 -5.800 2.483 1.00 0.00 C ATOM 1243 O CYS A 93 6.555 -6.640 3.330 1.00 0.00 O ATOM 1244 CB CYS A 93 7.567 -6.260 0.124 1.00 0.00 C ATOM 1245 SG CYS A 93 8.696 -5.637 -1.168 1.00 0.00 S ATOM 0 H CYS A 93 8.499 -8.073 1.658 1.00 0.00 H new ATOM 0 HA CYS A 93 8.691 -5.150 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.417 -7.329 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.596 -5.781 0.001 1.00 0.00 H new ATOM 1250 N GLN A 94 6.186 -4.670 2.332 1.00 0.00 N ATOM 1251 CA GLN A 94 5.034 -4.365 3.169 1.00 0.00 C ATOM 1252 C GLN A 94 3.885 -3.841 2.327 1.00 0.00 C ATOM 1253 O GLN A 94 4.084 -3.395 1.199 1.00 0.00 O ATOM 1254 CB GLN A 94 5.389 -3.336 4.245 1.00 0.00 C ATOM 1255 CG GLN A 94 6.549 -3.749 5.130 1.00 0.00 C ATOM 1256 CD GLN A 94 6.582 -2.999 6.446 1.00 0.00 C ATOM 1257 OE1 GLN A 94 5.545 -2.588 6.972 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.773 -2.827 6.994 1.00 0.00 N ATOM 0 H GLN A 94 6.414 -3.953 1.643 1.00 0.00 H new ATOM 0 HA GLN A 94 4.729 -5.291 3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.632 -2.389 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.513 -3.160 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.485 -4.819 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.485 -3.579 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.606 -3.183 6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.859 -2.338 7.885 1.00 0.00 H new ATOM 1267 N VAL A 95 2.687 -3.915 2.879 1.00 0.00 N ATOM 1268 CA VAL A 95 1.492 -3.434 2.205 1.00 0.00 C ATOM 1269 C VAL A 95 0.978 -2.191 2.919 1.00 0.00 C ATOM 1270 O VAL A 95 0.718 -2.224 4.126 1.00 0.00 O ATOM 1271 CB VAL A 95 0.380 -4.507 2.183 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.788 -4.057 1.318 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.924 -5.844 1.695 1.00 0.00 C ATOM 0 H VAL A 95 2.514 -4.309 3.804 1.00 0.00 H new ATOM 0 HA VAL A 95 1.756 -3.199 1.174 1.00 0.00 H new ATOM 0 HB VAL A 95 0.020 -4.638 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.559 -4.828 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.201 -3.131 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.442 -3.889 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.122 -6.582 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.320 -5.729 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.720 -6.178 2.361 1.00 0.00 H new ATOM 1283 N GLY A 96 0.840 -1.098 2.186 1.00 0.00 N ATOM 1284 CA GLY A 96 0.379 0.129 2.791 1.00 0.00 C ATOM 1285 C GLY A 96 -0.816 0.723 2.080 1.00 0.00 C ATOM 1286 O GLY A 96 -0.874 0.734 0.850 1.00 0.00 O ATOM 0 H GLY A 96 1.038 -1.040 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.118 -0.061 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.192 0.855 2.793 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.769 1.209 2.861 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.972 1.825 2.321 1.00 0.00 C ATOM 1292 C LEU A 97 -3.338 3.046 3.154 1.00 0.00 C ATOM 1293 O LEU A 97 -3.467 2.958 4.378 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.139 0.827 2.299 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.566 0.268 3.659 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.072 0.071 3.696 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.857 -1.045 3.945 1.00 0.00 C ATOM 0 H LEU A 97 -1.731 1.188 3.880 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.775 2.133 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.000 1.314 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.866 -0.008 1.654 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.286 0.986 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.363 -0.327 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.568 1.028 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.367 -0.629 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.174 -1.426 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.108 -1.770 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.779 -0.882 3.953 1.00 0.00 H new ATOM 1309 N SER A 98 -3.478 4.185 2.500 1.00 0.00 N ATOM 1310 CA SER A 98 -3.825 5.421 3.186 1.00 0.00 C ATOM 1311 C SER A 98 -4.467 6.412 2.223 1.00 0.00 C ATOM 1312 O SER A 98 -4.464 6.210 1.010 1.00 0.00 O ATOM 1313 CB SER A 98 -2.583 6.043 3.832 1.00 0.00 C ATOM 1314 OG SER A 98 -2.104 5.242 4.901 1.00 0.00 O ATOM 0 H SER A 98 -3.357 4.282 1.492 1.00 0.00 H new ATOM 0 HA SER A 98 -4.546 5.183 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.800 6.160 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.823 7.040 4.201 1.00 0.00 H new ATOM 0 HG SER A 98 -2.618 4.409 4.942 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.024 7.477 2.770 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.668 8.497 1.962 1.00 0.00 C ATOM 1322 C ASP A 99 -4.690 9.626 1.664 1.00 0.00 C ATOM 1323 O ASP A 99 -3.491 9.502 1.923 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.895 9.049 2.690 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.523 10.018 3.793 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.793 9.619 4.722 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.951 11.190 3.728 1.00 0.00 O ATOM 0 H ASP A 99 -5.043 7.659 3.774 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.987 8.048 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.545 9.551 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.466 8.222 3.113 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.216 10.732 1.149 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.402 11.895 0.809 1.00 0.00 C ATOM 1334 C ALA A 100 -3.760 12.512 2.051 1.00 0.00 C ATOM 1335 O ALA A 100 -2.690 13.113 1.972 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.244 12.932 0.080 1.00 0.00 C ATOM 0 H ALA A 100 -6.211 10.848 0.956 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.600 11.560 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.625 13.794 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.644 12.497 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.067 13.248 0.721 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.418 12.361 3.197 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.899 12.895 4.453 1.00 0.00 C ATOM 1344 C ALA A 101 -2.868 11.948 5.058 1.00 0.00 C ATOM 1345 O ALA A 101 -2.316 12.211 6.128 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.033 13.140 5.434 1.00 0.00 C ATOM 0 H ALA A 101 -5.310 11.874 3.282 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.409 13.846 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.629 13.538 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.735 13.857 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.550 12.201 5.635 1.00 0.00 H new ATOM 1352 N GLY A 102 -2.628 10.840 4.368 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.663 9.863 4.824 1.00 0.00 C ATOM 1354 C GLY A 102 -2.111 9.130 6.068 1.00 0.00 C ATOM 1355 O GLY A 102 -1.286 8.756 6.904 1.00 0.00 O ATOM 0 H GLY A 102 -3.091 10.601 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.481 9.141 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.715 10.362 5.024 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.412 8.915 6.197 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.955 8.221 7.357 1.00 0.00 C ATOM 1361 C ASN A 103 -4.779 7.018 6.927 1.00 0.00 C ATOM 1362 O ASN A 103 -5.240 6.945 5.784 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.804 9.171 8.203 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.017 9.787 9.344 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.967 9.240 10.447 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.389 10.925 9.090 1.00 0.00 N ATOM 0 H ASN A 103 -4.110 9.210 5.515 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.120 7.868 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.200 9.964 7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.659 8.629 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.840 11.379 9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.454 11.348 8.164 1.00 0.00 H new ATOM 1373 N GLY A 104 -4.956 6.077 7.842 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.717 4.884 7.548 1.00 0.00 C ATOM 1375 C GLY A 104 -5.258 3.702 8.379 1.00 0.00 C ATOM 1376 O GLY A 104 -4.555 3.887 9.372 1.00 0.00 O ATOM 0 H GLY A 104 -4.582 6.121 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.774 5.072 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.620 4.643 6.489 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.659 2.475 8.007 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.269 1.254 8.724 1.00 0.00 C ATOM 1382 C PRO A 105 -3.751 1.079 8.805 1.00 0.00 C ATOM 1383 O PRO A 105 -3.000 1.625 7.988 1.00 0.00 O ATOM 1384 CB PRO A 105 -5.895 0.130 7.889 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.011 0.784 7.155 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.547 2.184 6.871 1.00 0.00 C ATOM 0 HA PRO A 105 -5.606 1.271 9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.169 -0.304 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.258 -0.679 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.237 0.252 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.923 0.788 7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.019 2.249 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.381 2.884 6.821 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.309 0.325 9.798 1.00 0.00 N ATOM 1395 CA GLU A 106 -1.892 0.071 10.002 1.00 0.00 C ATOM 1396 C GLU A 106 -1.334 -0.800 8.877 1.00 0.00 C ATOM 1397 O GLU A 106 -2.025 -1.685 8.366 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.687 -0.607 11.355 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.261 -0.543 11.867 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.135 -1.103 13.264 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.358 -0.349 14.237 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.185 -2.303 13.397 1.00 0.00 O ATOM 0 H GLU A 106 -3.918 -0.126 10.481 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.355 1.019 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.346 -0.141 12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.987 -1.652 11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.391 -1.099 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.081 0.492 11.859 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.088 -0.536 8.494 1.00 0.00 N ATOM 1410 CA GLY A 107 0.548 -1.293 7.434 1.00 0.00 C ATOM 1411 C GLY A 107 0.954 -2.683 7.876 1.00 0.00 C ATOM 1412 O GLY A 107 1.375 -2.886 9.017 1.00 0.00 O ATOM 0 H GLY A 107 0.495 0.194 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.134 -1.369 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.429 -0.754 7.086 1.00 0.00 H new ATOM 1416 N VAL A 108 0.838 -3.638 6.971 1.00 0.00 N ATOM 1417 CA VAL A 108 1.175 -5.023 7.270 1.00 0.00 C ATOM 1418 C VAL A 108 2.386 -5.466 6.457 1.00 0.00 C ATOM 1419 O VAL A 108 2.465 -5.198 5.258 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.008 -5.972 6.969 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.276 -7.375 7.480 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.295 -5.440 7.576 1.00 0.00 C ATOM 0 H VAL A 108 0.512 -3.481 6.017 1.00 0.00 H new ATOM 0 HA VAL A 108 1.405 -5.076 8.334 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.130 -6.020 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.572 -8.022 7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.170 -7.766 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.434 -7.345 8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.113 -6.124 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.180 -5.355 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.517 -4.459 7.156 1.00 0.00 H new ATOM 1432 N ALA A 109 3.324 -6.137 7.111 1.00 0.00 N ATOM 1433 CA ALA A 109 4.525 -6.616 6.443 1.00 0.00 C ATOM 1434 C ALA A 109 4.318 -8.029 5.920 1.00 0.00 C ATOM 1435 O ALA A 109 3.629 -8.833 6.550 1.00 0.00 O ATOM 1436 CB ALA A 109 5.710 -6.573 7.393 1.00 0.00 C ATOM 0 H ALA A 109 3.276 -6.362 8.105 1.00 0.00 H new ATOM 0 HA ALA A 109 4.733 -5.962 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.601 -6.934 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.873 -5.548 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.507 -7.206 8.257 1.00 0.00 H new ATOM 1442 N ILE A 110 4.914 -8.334 4.774 1.00 0.00 N ATOM 1443 CA ILE A 110 4.779 -9.653 4.173 1.00 0.00 C ATOM 1444 C ILE A 110 6.133 -10.210 3.744 1.00 0.00 C ATOM 1445 O ILE A 110 6.903 -9.553 3.041 1.00 0.00 O ATOM 1446 CB ILE A 110 3.818 -9.645 2.957 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.252 -8.607 1.919 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.393 -9.371 3.411 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.497 -8.708 0.610 1.00 0.00 C ATOM 0 H ILE A 110 5.495 -7.685 4.243 1.00 0.00 H new ATOM 0 HA ILE A 110 4.354 -10.297 4.943 1.00 0.00 H new ATOM 0 HB ILE A 110 3.857 -10.629 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.111 -7.609 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.318 -8.724 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.730 -9.368 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.078 -10.147 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.349 -8.400 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.857 -7.942 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.658 -9.693 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.432 -8.561 0.792 1.00 0.00 H new ATOM 1461 N SER A 111 6.424 -11.424 4.183 1.00 0.00 N ATOM 1462 CA SER A 111 7.673 -12.077 3.845 1.00 0.00 C ATOM 1463 C SER A 111 7.441 -13.143 2.784 1.00 0.00 C ATOM 1464 O SER A 111 6.457 -13.887 2.842 1.00 0.00 O ATOM 1465 CB SER A 111 8.292 -12.712 5.092 1.00 0.00 C ATOM 1466 OG SER A 111 8.400 -11.770 6.147 1.00 0.00 O ATOM 0 H SER A 111 5.807 -11.977 4.777 1.00 0.00 H new ATOM 0 HA SER A 111 8.360 -11.328 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.682 -13.555 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.279 -13.107 4.851 1.00 0.00 H new ATOM 0 HG SER A 111 8.797 -12.202 6.932 1.00 0.00 H new ATOM 1472 N PHE A 112 8.341 -13.206 1.815 1.00 0.00 N ATOM 1473 CA PHE A 112 8.251 -14.193 0.751 1.00 0.00 C ATOM 1474 C PHE A 112 8.849 -15.515 1.231 1.00 0.00 C ATOM 1475 O PHE A 112 9.543 -15.555 2.251 1.00 0.00 O ATOM 1476 CB PHE A 112 8.985 -13.704 -0.503 1.00 0.00 C ATOM 1477 CG PHE A 112 8.560 -12.334 -0.964 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.224 -12.046 -1.196 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.497 -11.336 -1.166 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.832 -10.790 -1.620 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.112 -10.078 -1.590 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.778 -9.805 -1.817 1.00 0.00 C ATOM 0 H PHE A 112 9.145 -12.582 1.744 1.00 0.00 H new ATOM 0 HA PHE A 112 7.202 -14.342 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.057 -13.693 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.818 -14.416 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.479 -12.813 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.542 -11.543 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.787 -10.580 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.855 -9.309 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.475 -8.823 -2.148 1.00 0.00 H new ATOM 1492 N ASN A 113 8.571 -16.598 0.520 1.00 0.00 N ATOM 1493 CA ASN A 113 9.105 -17.904 0.896 1.00 0.00 C ATOM 1494 C ASN A 113 10.539 -18.050 0.417 1.00 0.00 C ATOM 1495 O ASN A 113 11.278 -18.880 0.983 1.00 0.00 O ATOM 1496 CB ASN A 113 8.247 -19.044 0.333 1.00 0.00 C ATOM 1497 CG ASN A 113 8.085 -18.965 -1.169 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.952 -19.394 -1.930 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.953 -18.446 -1.603 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.931 -17.322 -0.516 1.00 0.00 O ATOM 0 H ASN A 113 7.984 -16.602 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 113 9.083 -17.968 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.701 -19.999 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.264 -19.019 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.769 -18.389 -2.605 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.261 -18.102 -0.937 1.00 0.00 H new