USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 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 -74:sc= 0.536 USER MOD Set 1.2: A 17 THR OG1 : rot 84:sc= -3.09! USER MOD Single : A 1 ALA N :NH3+ -128:sc= 0.123 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 113:sc= -0.501! USER MOD Single : A 6 THR OG1 : rot -46:sc= 0.0955 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 58:sc= 0.847 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.3!) USER MOD Single : A 30 THR OG1 : rot 45:sc= 0.427 USER MOD Single : A 32 TYR OH : rot 30:sc= -2.48 USER MOD Single : A 36 GLN : amide:sc= -0.656! C(o=-0.66!,f=-5.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -14.7! C(o=-15!,f=-17!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 60 ASN : amide:sc= -7.51! C(o=-7.5!,f=-12!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 35:sc= 0.635 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= -6.15! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.34 USER MOD Single : A 89 THR OG1 : rot 168:sc= 0.625 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.6 K(o=-1.6,f=-8.7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.58) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.07 K(o=0.07,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.806 5.635 -13.944 1.00 0.00 N ATOM 2 CA ALA A 1 11.913 5.287 -12.852 1.00 0.00 C ATOM 3 C ALA A 1 12.148 6.246 -11.683 1.00 0.00 C ATOM 4 O ALA A 1 12.686 7.336 -11.867 1.00 0.00 O ATOM 5 CB ALA A 1 12.131 3.824 -12.460 1.00 0.00 C ATOM 0 H1 ALA A 1 12.256 5.746 -14.820 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.291 6.528 -13.724 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.510 4.880 -14.070 1.00 0.00 H new ATOM 0 HA ALA A 1 10.872 5.390 -13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.461 3.563 -11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.923 3.183 -13.317 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.164 3.682 -12.143 1.00 0.00 H new ATOM 11 N ALA A 2 11.731 5.804 -10.505 1.00 0.00 N ATOM 12 CA ALA A 2 11.890 6.609 -9.306 1.00 0.00 C ATOM 13 C ALA A 2 11.864 5.697 -8.077 1.00 0.00 C ATOM 14 O ALA A 2 11.732 4.481 -8.206 1.00 0.00 O ATOM 15 CB ALA A 2 10.796 7.679 -9.260 1.00 0.00 C ATOM 0 H ALA A 2 11.284 4.900 -10.356 1.00 0.00 H new ATOM 0 HA ALA A 2 12.851 7.124 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.915 8.283 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.875 8.318 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.818 7.199 -9.247 1.00 0.00 H new ATOM 21 N PRO A 3 11.996 6.337 -6.884 1.00 0.00 N ATOM 22 CA PRO A 3 11.990 5.596 -5.634 1.00 0.00 C ATOM 23 C PRO A 3 10.574 5.142 -5.273 1.00 0.00 C ATOM 24 O PRO A 3 9.714 5.024 -6.145 1.00 0.00 O ATOM 25 CB PRO A 3 12.587 6.548 -4.610 1.00 0.00 C ATOM 26 CG PRO A 3 12.476 7.936 -5.218 1.00 0.00 C ATOM 27 CD PRO A 3 12.155 7.775 -6.694 1.00 0.00 C ATOM 0 HA PRO A 3 12.570 4.675 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.049 6.492 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.626 6.295 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.696 8.510 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.409 8.485 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.246 8.313 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.956 8.171 -7.319 1.00 0.00 H new ATOM 35 N THR A 4 10.375 4.900 -3.986 1.00 0.00 N ATOM 36 CA THR A 4 9.078 4.461 -3.499 1.00 0.00 C ATOM 37 C THR A 4 9.012 2.933 -3.459 1.00 0.00 C ATOM 38 O THR A 4 9.874 2.256 -4.017 1.00 0.00 O ATOM 39 CB THR A 4 8.002 5.093 -4.385 1.00 0.00 C ATOM 40 OG1 THR A 4 8.490 6.406 -4.641 1.00 0.00 O ATOM 41 CG2 THR A 4 6.688 5.323 -3.636 1.00 0.00 C ATOM 0 H THR A 4 11.090 4.999 -3.265 1.00 0.00 H new ATOM 0 HA THR A 4 8.909 4.789 -2.473 1.00 0.00 H new ATOM 0 HB THR A 4 7.821 4.453 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.710 6.493 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.959 5.773 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.305 4.370 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.862 5.990 -2.792 1.00 0.00 H new ATOM 49 N ALA A 5 7.981 2.435 -2.794 1.00 0.00 N ATOM 50 CA ALA A 5 7.791 0.999 -2.673 1.00 0.00 C ATOM 51 C ALA A 5 7.018 0.487 -3.890 1.00 0.00 C ATOM 52 O ALA A 5 6.195 1.207 -4.454 1.00 0.00 O ATOM 53 CB ALA A 5 7.078 0.686 -1.355 1.00 0.00 C ATOM 0 H ALA A 5 7.268 3.000 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 5 8.752 0.486 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.936 -0.391 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.682 1.043 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.108 1.183 -1.339 1.00 0.00 H new ATOM 59 N THR A 6 7.308 -0.752 -4.258 1.00 0.00 N ATOM 60 CA THR A 6 6.650 -1.368 -5.398 1.00 0.00 C ATOM 61 C THR A 6 6.556 -2.883 -5.204 1.00 0.00 C ATOM 62 O THR A 6 7.351 -3.470 -4.471 1.00 0.00 O ATOM 63 CB THR A 6 7.414 -0.963 -6.660 1.00 0.00 C ATOM 64 OG1 THR A 6 8.574 -1.791 -6.644 1.00 0.00 O ATOM 65 CG2 THR A 6 7.970 0.460 -6.577 1.00 0.00 C ATOM 0 H THR A 6 7.990 -1.346 -3.787 1.00 0.00 H new ATOM 0 HA THR A 6 5.622 -1.020 -5.498 1.00 0.00 H new ATOM 0 HB THR A 6 6.756 -1.045 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.967 -1.786 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.503 0.697 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.149 1.164 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.655 0.534 -5.732 1.00 0.00 H new ATOM 73 N VAL A 7 5.576 -3.472 -5.873 1.00 0.00 N ATOM 74 CA VAL A 7 5.368 -4.908 -5.784 1.00 0.00 C ATOM 75 C VAL A 7 5.830 -5.568 -7.085 1.00 0.00 C ATOM 76 O VAL A 7 5.485 -5.110 -8.174 1.00 0.00 O ATOM 77 CB VAL A 7 3.904 -5.204 -5.450 1.00 0.00 C ATOM 78 CG1 VAL A 7 3.733 -6.647 -4.970 1.00 0.00 C ATOM 79 CG2 VAL A 7 3.368 -4.214 -4.414 1.00 0.00 C ATOM 0 H VAL A 7 4.918 -2.982 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 7 5.964 -5.331 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 7 3.320 -5.083 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.684 -6.832 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.058 -7.332 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.335 -6.807 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.326 -4.446 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.957 -4.289 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.438 -3.200 -4.809 1.00 0.00 H new ATOM 89 N THR A 8 6.601 -6.634 -6.929 1.00 0.00 N ATOM 90 CA THR A 8 7.113 -7.362 -8.077 1.00 0.00 C ATOM 91 C THR A 8 6.068 -7.398 -9.195 1.00 0.00 C ATOM 92 O THR A 8 6.312 -6.902 -10.294 1.00 0.00 O ATOM 93 CB THR A 8 7.544 -8.751 -7.603 1.00 0.00 C ATOM 94 OG1 THR A 8 8.964 -8.665 -7.523 1.00 0.00 O ATOM 95 CG2 THR A 8 7.295 -9.833 -8.656 1.00 0.00 C ATOM 0 H THR A 8 6.884 -7.011 -6.024 1.00 0.00 H new ATOM 0 HA THR A 8 7.984 -6.865 -8.504 1.00 0.00 H new ATOM 0 HB THR A 8 7.008 -9.005 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.327 -9.524 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.619 -10.799 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.231 -9.874 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.857 -9.598 -9.560 1.00 0.00 H new ATOM 103 N PRO A 9 4.897 -8.005 -8.866 1.00 0.00 N ATOM 104 CA PRO A 9 3.814 -8.112 -9.829 1.00 0.00 C ATOM 105 C PRO A 9 3.105 -6.769 -10.011 1.00 0.00 C ATOM 106 O PRO A 9 3.669 -5.720 -9.701 1.00 0.00 O ATOM 107 CB PRO A 9 2.901 -9.195 -9.275 1.00 0.00 C ATOM 108 CG PRO A 9 3.254 -9.325 -7.803 1.00 0.00 C ATOM 109 CD PRO A 9 4.573 -8.603 -7.575 1.00 0.00 C ATOM 0 HA PRO A 9 4.164 -8.375 -10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.853 -8.925 -9.403 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.053 -10.139 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.469 -8.892 -7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.340 -10.375 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.479 -7.843 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.352 -9.294 -7.252 1.00 0.00 H new ATOM 117 N SER A 10 1.882 -6.844 -10.513 1.00 0.00 N ATOM 118 CA SER A 10 1.092 -5.645 -10.739 1.00 0.00 C ATOM 119 C SER A 10 -0.395 -6.003 -10.801 1.00 0.00 C ATOM 120 O SER A 10 -1.184 -5.288 -11.416 1.00 0.00 O ATOM 121 CB SER A 10 1.521 -4.938 -12.026 1.00 0.00 C ATOM 122 OG SER A 10 0.967 -5.555 -13.185 1.00 0.00 O ATOM 0 H SER A 10 1.418 -7.715 -10.770 1.00 0.00 H new ATOM 0 HA SER A 10 1.261 -4.962 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.209 -3.894 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.609 -4.944 -12.097 1.00 0.00 H new ATOM 0 HG SER A 10 1.263 -5.073 -13.985 1.00 0.00 H new ATOM 128 N SER A 11 -0.732 -7.110 -10.155 1.00 0.00 N ATOM 129 CA SER A 11 -2.109 -7.571 -10.128 1.00 0.00 C ATOM 130 C SER A 11 -2.257 -8.724 -9.133 1.00 0.00 C ATOM 131 O SER A 11 -2.701 -9.812 -9.499 1.00 0.00 O ATOM 132 CB SER A 11 -2.570 -8.009 -11.520 1.00 0.00 C ATOM 133 OG SER A 11 -1.948 -9.224 -11.931 1.00 0.00 O ATOM 0 H SER A 11 -0.074 -7.701 -9.646 1.00 0.00 H new ATOM 0 HA SER A 11 -2.741 -6.742 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.652 -8.138 -11.519 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.343 -7.224 -12.241 1.00 0.00 H new ATOM 0 HG SER A 11 -2.143 -9.929 -11.278 1.00 0.00 H new ATOM 139 N GLY A 12 -1.875 -8.447 -7.895 1.00 0.00 N ATOM 140 CA GLY A 12 -1.958 -9.447 -6.844 1.00 0.00 C ATOM 141 C GLY A 12 -3.316 -10.152 -6.866 1.00 0.00 C ATOM 142 O GLY A 12 -3.415 -11.327 -6.515 1.00 0.00 O ATOM 0 H GLY A 12 -1.507 -7.544 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.161 -10.180 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.805 -8.974 -5.874 1.00 0.00 H new ATOM 146 N LEU A 13 -4.329 -9.405 -7.281 1.00 0.00 N ATOM 147 CA LEU A 13 -5.676 -9.945 -7.353 1.00 0.00 C ATOM 148 C LEU A 13 -6.046 -10.561 -6.003 1.00 0.00 C ATOM 149 O LEU A 13 -6.799 -9.967 -5.231 1.00 0.00 O ATOM 150 CB LEU A 13 -5.803 -10.916 -8.528 1.00 0.00 C ATOM 151 CG LEU A 13 -5.289 -10.408 -9.877 1.00 0.00 C ATOM 152 CD1 LEU A 13 -4.368 -11.437 -10.535 1.00 0.00 C ATOM 153 CD2 LEU A 13 -6.449 -10.009 -10.791 1.00 0.00 C ATOM 0 H LEU A 13 -4.244 -8.431 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.395 -9.150 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.265 -11.830 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.853 -11.185 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.695 -9.511 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.017 -11.051 -11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.514 -11.629 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.916 -12.365 -10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.056 -9.652 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.089 -10.874 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.029 -9.217 -10.318 1.00 0.00 H new ATOM 165 N SER A 14 -5.500 -11.742 -5.757 1.00 0.00 N ATOM 166 CA SER A 14 -5.765 -12.446 -4.514 1.00 0.00 C ATOM 167 C SER A 14 -5.862 -11.447 -3.359 1.00 0.00 C ATOM 168 O SER A 14 -4.929 -10.686 -3.111 1.00 0.00 O ATOM 169 CB SER A 14 -4.678 -13.485 -4.228 1.00 0.00 C ATOM 170 OG SER A 14 -4.139 -13.345 -2.915 1.00 0.00 O ATOM 0 H SER A 14 -4.874 -12.230 -6.398 1.00 0.00 H new ATOM 0 HA SER A 14 -6.715 -12.971 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.093 -14.486 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.878 -13.384 -4.961 1.00 0.00 H new ATOM 0 HG SER A 14 -3.560 -12.555 -2.882 1.00 0.00 H new ATOM 176 N ASP A 15 -7.002 -11.483 -2.683 1.00 0.00 N ATOM 177 CA ASP A 15 -7.234 -10.591 -1.561 1.00 0.00 C ATOM 178 C ASP A 15 -6.144 -10.806 -0.509 1.00 0.00 C ATOM 179 O ASP A 15 -6.279 -11.664 0.364 1.00 0.00 O ATOM 180 CB ASP A 15 -8.587 -10.873 -0.904 1.00 0.00 C ATOM 181 CG ASP A 15 -8.721 -12.257 -0.267 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.598 -12.323 0.976 1.00 0.00 O ATOM 183 OD2 ASP A 15 -8.942 -13.217 -1.036 1.00 0.00 O ATOM 0 H ASP A 15 -7.774 -12.116 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.221 -9.568 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.766 -10.118 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.369 -10.758 -1.654 1.00 0.00 H new ATOM 189 N GLY A 16 -5.088 -10.016 -0.626 1.00 0.00 N ATOM 190 CA GLY A 16 -3.975 -10.109 0.303 1.00 0.00 C ATOM 191 C GLY A 16 -2.823 -10.914 -0.300 1.00 0.00 C ATOM 192 O GLY A 16 -2.192 -11.714 0.389 1.00 0.00 O ATOM 0 H GLY A 16 -4.979 -9.307 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.628 -9.109 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.307 -10.580 1.228 1.00 0.00 H new ATOM 196 N THR A 17 -2.583 -10.674 -1.581 1.00 0.00 N ATOM 197 CA THR A 17 -1.518 -11.367 -2.285 1.00 0.00 C ATOM 198 C THR A 17 -0.154 -10.961 -1.723 1.00 0.00 C ATOM 199 O THR A 17 0.479 -10.034 -2.227 1.00 0.00 O ATOM 200 CB THR A 17 -1.670 -11.074 -3.779 1.00 0.00 C ATOM 201 OG1 THR A 17 -2.958 -11.588 -4.105 1.00 0.00 O ATOM 202 CG2 THR A 17 -0.711 -11.900 -4.639 1.00 0.00 C ATOM 0 H THR A 17 -3.108 -10.009 -2.149 1.00 0.00 H new ATOM 0 HA THR A 17 -1.586 -12.445 -2.141 1.00 0.00 H new ATOM 0 HB THR A 17 -1.497 -10.013 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.641 -10.920 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.861 -11.653 -5.690 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.317 -11.675 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.906 -12.961 -4.484 1.00 0.00 H new ATOM 210 N VAL A 18 0.258 -11.674 -0.684 1.00 0.00 N ATOM 211 CA VAL A 18 1.535 -11.400 -0.047 1.00 0.00 C ATOM 212 C VAL A 18 2.668 -11.761 -1.010 1.00 0.00 C ATOM 213 O VAL A 18 3.291 -12.812 -0.873 1.00 0.00 O ATOM 214 CB VAL A 18 1.624 -12.142 1.288 1.00 0.00 C ATOM 215 CG1 VAL A 18 2.651 -11.486 2.213 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.252 -12.225 1.961 1.00 0.00 C ATOM 0 H VAL A 18 -0.270 -12.441 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 18 1.629 -10.338 0.181 1.00 0.00 H new ATOM 0 HB VAL A 18 1.959 -13.159 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.694 -12.033 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.632 -11.503 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.360 -10.454 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.343 -12.757 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.125 -11.219 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.441 -12.758 1.310 1.00 0.00 H new ATOM 226 N VAL A 19 2.901 -10.869 -1.961 1.00 0.00 N ATOM 227 CA VAL A 19 3.949 -11.080 -2.945 1.00 0.00 C ATOM 228 C VAL A 19 5.182 -10.265 -2.555 1.00 0.00 C ATOM 229 O VAL A 19 5.100 -9.373 -1.710 1.00 0.00 O ATOM 230 CB VAL A 19 3.427 -10.743 -4.344 1.00 0.00 C ATOM 231 CG1 VAL A 19 2.706 -11.943 -4.964 1.00 0.00 C ATOM 232 CG2 VAL A 19 2.518 -9.515 -4.309 1.00 0.00 C ATOM 0 H VAL A 19 2.382 -9.998 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 19 4.247 -12.128 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 19 4.285 -10.506 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.345 -11.677 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.397 -12.782 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.862 -12.225 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.161 -9.298 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.667 -9.711 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.077 -8.659 -3.930 1.00 0.00 H new ATOM 242 N LYS A 20 6.298 -10.598 -3.187 1.00 0.00 N ATOM 243 CA LYS A 20 7.547 -9.907 -2.916 1.00 0.00 C ATOM 244 C LYS A 20 7.386 -8.423 -3.248 1.00 0.00 C ATOM 245 O LYS A 20 6.697 -8.068 -4.204 1.00 0.00 O ATOM 246 CB LYS A 20 8.703 -10.582 -3.656 1.00 0.00 C ATOM 247 CG LYS A 20 9.785 -11.045 -2.677 1.00 0.00 C ATOM 248 CD LYS A 20 11.090 -11.360 -3.412 1.00 0.00 C ATOM 249 CE LYS A 20 12.101 -10.224 -3.243 1.00 0.00 C ATOM 250 NZ LYS A 20 12.669 -9.837 -4.554 1.00 0.00 N ATOM 0 H LYS A 20 6.363 -11.338 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 20 7.797 -9.971 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.329 -11.436 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.133 -9.887 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.961 -10.270 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.442 -11.930 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.513 -12.288 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.887 -11.516 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.616 -9.364 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.901 -10.538 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.353 -9.065 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.149 -10.656 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.905 -9.518 -5.183 1.00 0.00 H new ATOM 264 N VAL A 21 8.034 -7.594 -2.442 1.00 0.00 N ATOM 265 CA VAL A 21 7.971 -6.156 -2.639 1.00 0.00 C ATOM 266 C VAL A 21 9.309 -5.532 -2.235 1.00 0.00 C ATOM 267 O VAL A 21 9.928 -5.960 -1.262 1.00 0.00 O ATOM 268 CB VAL A 21 6.784 -5.574 -1.871 1.00 0.00 C ATOM 269 CG1 VAL A 21 6.720 -4.054 -2.031 1.00 0.00 C ATOM 270 CG2 VAL A 21 5.472 -6.227 -2.313 1.00 0.00 C ATOM 0 H VAL A 21 8.605 -7.891 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 21 7.806 -5.921 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 21 6.929 -5.794 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.867 -3.665 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.637 -3.609 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.610 -3.804 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.643 -5.795 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.319 -6.052 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.518 -7.300 -2.125 1.00 0.00 H new ATOM 280 N ALA A 22 9.714 -4.531 -3.001 1.00 0.00 N ATOM 281 CA ALA A 22 10.966 -3.843 -2.735 1.00 0.00 C ATOM 282 C ALA A 22 10.789 -2.348 -3.003 1.00 0.00 C ATOM 283 O ALA A 22 9.894 -1.948 -3.747 1.00 0.00 O ATOM 284 CB ALA A 22 12.078 -4.460 -3.585 1.00 0.00 C ATOM 0 H ALA A 22 9.197 -4.179 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 22 11.252 -3.958 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.017 -3.944 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.184 -5.516 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.827 -4.361 -4.641 1.00 0.00 H new ATOM 290 N GLY A 23 11.655 -1.561 -2.381 1.00 0.00 N ATOM 291 CA GLY A 23 11.605 -0.117 -2.543 1.00 0.00 C ATOM 292 C GLY A 23 10.947 0.547 -1.332 1.00 0.00 C ATOM 293 O GLY A 23 10.668 -0.112 -0.333 1.00 0.00 O ATOM 0 H GLY A 23 12.395 -1.896 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.614 0.273 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.048 0.132 -3.446 1.00 0.00 H new ATOM 297 N ALA A 24 10.717 1.845 -1.463 1.00 0.00 N ATOM 298 CA ALA A 24 10.096 2.608 -0.394 1.00 0.00 C ATOM 299 C ALA A 24 10.691 4.017 -0.365 1.00 0.00 C ATOM 300 O ALA A 24 11.228 4.488 -1.366 1.00 0.00 O ATOM 301 CB ALA A 24 10.282 1.869 0.934 1.00 0.00 C ATOM 0 H ALA A 24 10.950 2.388 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 24 9.024 2.707 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.816 2.441 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.816 0.886 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.346 1.754 1.140 1.00 0.00 H new ATOM 307 N GLY A 25 10.576 4.649 0.794 1.00 0.00 N ATOM 308 CA GLY A 25 11.096 5.995 0.965 1.00 0.00 C ATOM 309 C GLY A 25 12.610 6.030 0.756 1.00 0.00 C ATOM 310 O GLY A 25 13.225 7.094 0.806 1.00 0.00 O ATOM 0 H GLY A 25 10.131 4.254 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.612 6.668 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.855 6.357 1.964 1.00 0.00 H new ATOM 314 N LEU A 26 13.170 4.852 0.523 1.00 0.00 N ATOM 315 CA LEU A 26 14.602 4.733 0.304 1.00 0.00 C ATOM 316 C LEU A 26 15.345 5.512 1.392 1.00 0.00 C ATOM 317 O LEU A 26 15.983 6.524 1.108 1.00 0.00 O ATOM 318 CB LEU A 26 14.964 5.163 -1.118 1.00 0.00 C ATOM 319 CG LEU A 26 16.457 5.337 -1.407 1.00 0.00 C ATOM 320 CD1 LEU A 26 17.018 4.119 -2.142 1.00 0.00 C ATOM 321 CD2 LEU A 26 16.721 6.638 -2.167 1.00 0.00 C ATOM 0 H LEU A 26 12.658 3.971 0.481 1.00 0.00 H new ATOM 0 HA LEU A 26 14.916 3.692 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.563 4.425 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.461 6.106 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 26 16.983 5.409 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.080 4.268 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.882 3.229 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.492 3.991 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.789 6.737 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.182 6.622 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.380 7.484 -1.570 1.00 0.00 H new ATOM 333 N GLN A 27 15.239 5.010 2.613 1.00 0.00 N ATOM 334 CA GLN A 27 15.893 5.645 3.743 1.00 0.00 C ATOM 335 C GLN A 27 17.345 5.174 3.852 1.00 0.00 C ATOM 336 O GLN A 27 18.220 5.682 3.153 1.00 0.00 O ATOM 337 CB GLN A 27 15.130 5.375 5.041 1.00 0.00 C ATOM 338 CG GLN A 27 15.837 6.019 6.237 1.00 0.00 C ATOM 339 CD GLN A 27 15.602 7.531 6.263 1.00 0.00 C ATOM 340 OE1 GLN A 27 14.599 8.038 5.788 1.00 0.00 O ATOM 341 NE2 GLN A 27 16.580 8.220 6.842 1.00 0.00 N ATOM 0 H GLN A 27 14.709 4.170 2.844 1.00 0.00 H new ATOM 0 HA GLN A 27 15.894 6.722 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.116 5.767 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.045 4.300 5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 27 15.472 5.574 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.906 5.814 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.393 7.733 7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.518 9.236 6.909 1.00 0.00 H new ATOM 350 N ALA A 28 17.554 4.206 4.732 1.00 0.00 N ATOM 351 CA ALA A 28 18.884 3.659 4.940 1.00 0.00 C ATOM 352 C ALA A 28 18.923 2.917 6.277 1.00 0.00 C ATOM 353 O ALA A 28 19.402 3.453 7.276 1.00 0.00 O ATOM 354 CB ALA A 28 19.917 4.786 4.869 1.00 0.00 C ATOM 0 H ALA A 28 16.825 3.786 5.309 1.00 0.00 H new ATOM 0 HA ALA A 28 19.130 2.941 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.915 4.376 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 19.870 5.262 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.704 5.524 5.642 1.00 0.00 H new ATOM 360 N GLY A 29 18.410 1.696 6.255 1.00 0.00 N ATOM 361 CA GLY A 29 18.379 0.874 7.453 1.00 0.00 C ATOM 362 C GLY A 29 17.444 1.474 8.504 1.00 0.00 C ATOM 363 O GLY A 29 17.897 1.963 9.538 1.00 0.00 O ATOM 0 H GLY A 29 18.012 1.255 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.048 -0.133 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.385 0.785 7.864 1.00 0.00 H new ATOM 367 N THR A 30 16.154 1.414 8.204 1.00 0.00 N ATOM 368 CA THR A 30 15.150 1.945 9.111 1.00 0.00 C ATOM 369 C THR A 30 13.817 1.221 8.914 1.00 0.00 C ATOM 370 O THR A 30 13.540 0.708 7.831 1.00 0.00 O ATOM 371 CB THR A 30 15.060 3.456 8.885 1.00 0.00 C ATOM 372 OG1 THR A 30 15.828 4.013 9.948 1.00 0.00 O ATOM 373 CG2 THR A 30 13.649 4.000 9.119 1.00 0.00 C ATOM 0 H THR A 30 15.782 1.006 7.346 1.00 0.00 H new ATOM 0 HA THR A 30 15.427 1.773 10.151 1.00 0.00 H new ATOM 0 HB THR A 30 15.375 3.690 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.667 3.515 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.640 5.076 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.954 3.516 8.433 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.346 3.796 10.146 1.00 0.00 H new ATOM 381 N ALA A 31 13.027 1.202 9.978 1.00 0.00 N ATOM 382 CA ALA A 31 11.730 0.549 9.936 1.00 0.00 C ATOM 383 C ALA A 31 10.909 1.129 8.782 1.00 0.00 C ATOM 384 O ALA A 31 11.084 2.289 8.413 1.00 0.00 O ATOM 385 CB ALA A 31 11.032 0.712 11.288 1.00 0.00 C ATOM 0 H ALA A 31 13.261 1.629 10.875 1.00 0.00 H new ATOM 0 HA ALA A 31 11.844 -0.520 9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.059 0.222 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.642 0.258 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.898 1.772 11.503 1.00 0.00 H new ATOM 391 N TYR A 32 10.031 0.294 8.244 1.00 0.00 N ATOM 392 CA TYR A 32 9.183 0.710 7.140 1.00 0.00 C ATOM 393 C TYR A 32 7.852 -0.043 7.159 1.00 0.00 C ATOM 394 O TYR A 32 7.668 -1.005 6.413 1.00 0.00 O ATOM 395 CB TYR A 32 9.944 0.345 5.864 1.00 0.00 C ATOM 396 CG TYR A 32 10.724 1.510 5.251 1.00 0.00 C ATOM 397 CD1 TYR A 32 10.051 2.526 4.604 1.00 0.00 C ATOM 398 CD2 TYR A 32 12.101 1.543 5.343 1.00 0.00 C ATOM 399 CE1 TYR A 32 10.786 3.622 4.027 1.00 0.00 C ATOM 400 CE2 TYR A 32 12.835 2.639 4.765 1.00 0.00 C ATOM 401 CZ TYR A 32 12.141 3.624 4.136 1.00 0.00 C ATOM 402 OH TYR A 32 12.834 4.660 3.590 1.00 0.00 O ATOM 0 H TYR A 32 9.889 -0.668 8.552 1.00 0.00 H new ATOM 0 HA TYR A 32 8.962 1.775 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.637 -0.466 6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.236 -0.033 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.974 2.499 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.628 0.747 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.272 4.425 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.912 2.677 4.830 1.00 0.00 H new ATOM 0 HH TYR A 32 12.282 5.469 3.609 1.00 0.00 H new ATOM 412 N ASP A 33 6.957 0.421 8.017 1.00 0.00 N ATOM 413 CA ASP A 33 5.648 -0.195 8.143 1.00 0.00 C ATOM 414 C ASP A 33 4.915 -0.105 6.803 1.00 0.00 C ATOM 415 O ASP A 33 4.672 0.990 6.298 1.00 0.00 O ATOM 416 CB ASP A 33 4.799 0.521 9.196 1.00 0.00 C ATOM 417 CG ASP A 33 3.377 -0.020 9.356 1.00 0.00 C ATOM 418 OD1 ASP A 33 3.167 -0.787 10.320 1.00 0.00 O ATOM 419 OD2 ASP A 33 2.531 0.348 8.513 1.00 0.00 O ATOM 0 H ASP A 33 7.113 1.219 8.633 1.00 0.00 H new ATOM 0 HA ASP A 33 5.793 -1.233 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.307 0.454 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.743 1.579 8.938 1.00 0.00 H new ATOM 425 N VAL A 34 4.584 -1.269 6.265 1.00 0.00 N ATOM 426 CA VAL A 34 3.885 -1.335 4.994 1.00 0.00 C ATOM 427 C VAL A 34 2.590 -0.525 5.086 1.00 0.00 C ATOM 428 O VAL A 34 2.090 -0.270 6.181 1.00 0.00 O ATOM 429 CB VAL A 34 3.651 -2.794 4.599 1.00 0.00 C ATOM 430 CG1 VAL A 34 2.782 -2.890 3.344 1.00 0.00 C ATOM 431 CG2 VAL A 34 4.978 -3.529 4.404 1.00 0.00 C ATOM 0 H VAL A 34 4.787 -2.175 6.687 1.00 0.00 H new ATOM 0 HA VAL A 34 4.490 -0.892 4.203 1.00 0.00 H new ATOM 0 HB VAL A 34 3.116 -3.280 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.631 -3.938 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.817 -2.420 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.278 -2.380 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.783 -4.564 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.552 -3.042 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.547 -3.506 5.334 1.00 0.00 H new ATOM 441 N GLY A 35 2.084 -0.143 3.923 1.00 0.00 N ATOM 442 CA GLY A 35 0.856 0.633 3.859 1.00 0.00 C ATOM 443 C GLY A 35 0.012 0.225 2.650 1.00 0.00 C ATOM 444 O GLY A 35 0.550 -0.165 1.616 1.00 0.00 O ATOM 0 H GLY A 35 2.502 -0.356 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.282 0.487 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.095 1.695 3.798 1.00 0.00 H new ATOM 448 N GLN A 36 -1.298 0.329 2.822 1.00 0.00 N ATOM 449 CA GLN A 36 -2.222 -0.024 1.757 1.00 0.00 C ATOM 450 C GLN A 36 -3.368 0.989 1.691 1.00 0.00 C ATOM 451 O GLN A 36 -4.195 1.054 2.598 1.00 0.00 O ATOM 452 CB GLN A 36 -2.756 -1.445 1.944 1.00 0.00 C ATOM 453 CG GLN A 36 -1.991 -2.438 1.066 1.00 0.00 C ATOM 454 CD GLN A 36 -2.942 -3.186 0.129 1.00 0.00 C ATOM 455 OE1 GLN A 36 -3.122 -4.390 0.218 1.00 0.00 O ATOM 456 NE2 GLN A 36 -3.537 -2.410 -0.771 1.00 0.00 N ATOM 0 H GLN A 36 -1.741 0.652 3.682 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.683 0.005 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.667 -1.736 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.816 -1.475 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.240 -1.908 0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.459 -3.151 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.341 -1.409 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.189 -2.815 -1.442 1.00 0.00 H new ATOM 465 N CYS A 37 -3.378 1.753 0.609 1.00 0.00 N ATOM 466 CA CYS A 37 -4.408 2.758 0.413 1.00 0.00 C ATOM 467 C CYS A 37 -5.098 2.484 -0.925 1.00 0.00 C ATOM 468 O CYS A 37 -4.754 1.532 -1.622 1.00 0.00 O ATOM 469 CB CYS A 37 -3.836 4.175 0.480 1.00 0.00 C ATOM 470 SG CYS A 37 -2.749 4.497 1.917 1.00 0.00 S ATOM 0 H CYS A 37 -2.689 1.696 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.140 2.694 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.274 4.368 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.663 4.885 0.502 1.00 0.00 H new ATOM 475 N ALA A 38 -6.061 3.337 -1.243 1.00 0.00 N ATOM 476 CA ALA A 38 -6.802 3.200 -2.485 1.00 0.00 C ATOM 477 C ALA A 38 -7.163 4.589 -3.015 1.00 0.00 C ATOM 478 O ALA A 38 -8.100 5.220 -2.526 1.00 0.00 O ATOM 479 CB ALA A 38 -8.037 2.327 -2.248 1.00 0.00 C ATOM 0 H ALA A 38 -6.345 4.126 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.193 2.707 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.594 2.224 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.725 1.342 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.673 2.793 -1.495 1.00 0.00 H new ATOM 485 N TRP A 39 -6.402 5.025 -4.008 1.00 0.00 N ATOM 486 CA TRP A 39 -6.630 6.328 -4.610 1.00 0.00 C ATOM 487 C TRP A 39 -7.901 6.241 -5.456 1.00 0.00 C ATOM 488 O TRP A 39 -8.065 5.310 -6.243 1.00 0.00 O ATOM 489 CB TRP A 39 -5.408 6.783 -5.410 1.00 0.00 C ATOM 490 CG TRP A 39 -5.752 7.569 -6.677 1.00 0.00 C ATOM 491 CD1 TRP A 39 -6.622 8.580 -6.810 1.00 0.00 C ATOM 492 CD2 TRP A 39 -5.194 7.366 -7.992 1.00 0.00 C ATOM 493 NE1 TRP A 39 -6.665 9.041 -8.110 1.00 0.00 N ATOM 494 CE2 TRP A 39 -5.769 8.279 -8.852 1.00 0.00 C ATOM 495 CE3 TRP A 39 -4.235 6.441 -8.441 1.00 0.00 C ATOM 496 CZ2 TRP A 39 -5.451 8.357 -10.213 1.00 0.00 C ATOM 497 CZ3 TRP A 39 -3.927 6.531 -9.804 1.00 0.00 C ATOM 498 CH2 TRP A 39 -4.497 7.446 -10.682 1.00 0.00 C ATOM 0 H TRP A 39 -5.627 4.499 -4.411 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.774 7.089 -3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.778 7.401 -4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.820 5.907 -5.686 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.214 8.983 -6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.247 9.801 -8.462 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.772 5.718 -7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.916 9.081 -10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.196 5.842 -10.201 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.205 7.454 -11.722 1.00 0.00 H new ATOM 509 N VAL A 40 -8.768 7.225 -5.267 1.00 0.00 N ATOM 510 CA VAL A 40 -10.020 7.272 -6.003 1.00 0.00 C ATOM 511 C VAL A 40 -10.127 8.612 -6.733 1.00 0.00 C ATOM 512 O VAL A 40 -9.378 8.874 -7.674 1.00 0.00 O ATOM 513 CB VAL A 40 -11.194 7.010 -5.058 1.00 0.00 C ATOM 514 CG1 VAL A 40 -12.521 7.007 -5.819 1.00 0.00 C ATOM 515 CG2 VAL A 40 -10.999 5.700 -4.291 1.00 0.00 C ATOM 0 H VAL A 40 -8.628 7.996 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.048 6.487 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.226 7.822 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -13.339 6.818 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.668 7.975 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.503 6.225 -6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.848 5.538 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.927 4.872 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.083 5.756 -3.703 1.00 0.00 H new ATOM 525 N ASP A 41 -11.065 9.427 -6.273 1.00 0.00 N ATOM 526 CA ASP A 41 -11.280 10.734 -6.870 1.00 0.00 C ATOM 527 C ASP A 41 -9.998 11.561 -6.753 1.00 0.00 C ATOM 528 O ASP A 41 -8.989 11.080 -6.237 1.00 0.00 O ATOM 529 CB ASP A 41 -12.398 11.490 -6.150 1.00 0.00 C ATOM 530 CG ASP A 41 -13.590 11.873 -7.030 1.00 0.00 C ATOM 531 OD1 ASP A 41 -13.547 12.990 -7.590 1.00 0.00 O ATOM 532 OD2 ASP A 41 -14.517 11.040 -7.123 1.00 0.00 O ATOM 0 H ASP A 41 -11.685 9.207 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.558 10.587 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.758 10.876 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.980 12.398 -5.715 1.00 0.00 H new ATOM 538 N THR A 42 -10.078 12.791 -7.239 1.00 0.00 N ATOM 539 CA THR A 42 -8.937 13.689 -7.195 1.00 0.00 C ATOM 540 C THR A 42 -8.676 14.149 -5.759 1.00 0.00 C ATOM 541 O THR A 42 -9.194 15.179 -5.329 1.00 0.00 O ATOM 542 CB THR A 42 -9.205 14.842 -8.163 1.00 0.00 C ATOM 543 OG1 THR A 42 -9.165 14.233 -9.449 1.00 0.00 O ATOM 544 CG2 THR A 42 -8.062 15.858 -8.196 1.00 0.00 C ATOM 0 H THR A 42 -10.916 13.187 -7.665 1.00 0.00 H new ATOM 0 HA THR A 42 -8.024 13.185 -7.513 1.00 0.00 H new ATOM 0 HB THR A 42 -10.129 15.345 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.331 14.911 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.304 16.655 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.923 16.281 -7.201 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.144 15.363 -8.511 1.00 0.00 H new ATOM 552 N GLY A 43 -7.873 13.364 -5.057 1.00 0.00 N ATOM 553 CA GLY A 43 -7.536 13.677 -3.678 1.00 0.00 C ATOM 554 C GLY A 43 -8.252 12.732 -2.710 1.00 0.00 C ATOM 555 O GLY A 43 -7.954 12.718 -1.517 1.00 0.00 O ATOM 0 H GLY A 43 -7.445 12.511 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.458 13.599 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.813 14.708 -3.457 1.00 0.00 H new ATOM 559 N VAL A 44 -9.182 11.966 -3.261 1.00 0.00 N ATOM 560 CA VAL A 44 -9.941 11.021 -2.462 1.00 0.00 C ATOM 561 C VAL A 44 -9.221 9.671 -2.452 1.00 0.00 C ATOM 562 O VAL A 44 -9.511 8.803 -3.274 1.00 0.00 O ATOM 563 CB VAL A 44 -11.377 10.928 -2.984 1.00 0.00 C ATOM 564 CG1 VAL A 44 -12.280 10.206 -1.983 1.00 0.00 C ATOM 565 CG2 VAL A 44 -11.929 12.315 -3.320 1.00 0.00 C ATOM 0 H VAL A 44 -9.427 11.981 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.006 11.362 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.361 10.342 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.294 10.154 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.904 9.197 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.287 10.752 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.950 12.221 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.922 12.936 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.308 12.778 -4.087 1.00 0.00 H new ATOM 575 N LEU A 45 -8.295 9.537 -1.514 1.00 0.00 N ATOM 576 CA LEU A 45 -7.530 8.308 -1.387 1.00 0.00 C ATOM 577 C LEU A 45 -7.883 7.629 -0.062 1.00 0.00 C ATOM 578 O LEU A 45 -7.608 8.168 1.008 1.00 0.00 O ATOM 579 CB LEU A 45 -6.036 8.588 -1.556 1.00 0.00 C ATOM 580 CG LEU A 45 -5.107 7.381 -1.411 1.00 0.00 C ATOM 581 CD1 LEU A 45 -3.981 7.426 -2.446 1.00 0.00 C ATOM 582 CD2 LEU A 45 -4.568 7.273 0.017 1.00 0.00 C ATOM 0 H LEU A 45 -8.057 10.259 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.792 7.611 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.878 9.027 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.742 9.338 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.687 6.479 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.336 6.556 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.408 7.419 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.396 8.335 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.910 6.407 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.009 8.176 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.400 7.159 0.712 1.00 0.00 H new ATOM 594 N ALA A 46 -8.485 6.454 -0.178 1.00 0.00 N ATOM 595 CA ALA A 46 -8.878 5.695 0.996 1.00 0.00 C ATOM 596 C ALA A 46 -7.673 4.907 1.514 1.00 0.00 C ATOM 597 O ALA A 46 -7.367 3.828 1.007 1.00 0.00 O ATOM 598 CB ALA A 46 -10.061 4.790 0.647 1.00 0.00 C ATOM 0 H ALA A 46 -8.710 6.009 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.204 6.362 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.356 4.220 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.900 5.400 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.772 4.103 -0.149 1.00 0.00 H new ATOM 604 N CYS A 47 -7.022 5.475 2.518 1.00 0.00 N ATOM 605 CA CYS A 47 -5.857 4.840 3.111 1.00 0.00 C ATOM 606 C CYS A 47 -6.342 3.790 4.113 1.00 0.00 C ATOM 607 O CYS A 47 -7.335 4.000 4.807 1.00 0.00 O ATOM 608 CB CYS A 47 -4.924 5.862 3.762 1.00 0.00 C ATOM 609 SG CYS A 47 -3.436 6.276 2.781 1.00 0.00 S ATOM 0 H CYS A 47 -7.279 6.369 2.936 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.268 4.355 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.485 6.778 3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.607 5.478 4.732 1.00 0.00 H new ATOM 614 N ASN A 48 -5.617 2.681 4.158 1.00 0.00 N ATOM 615 CA ASN A 48 -5.960 1.598 5.063 1.00 0.00 C ATOM 616 C ASN A 48 -4.907 1.512 6.169 1.00 0.00 C ATOM 617 O ASN A 48 -3.853 0.905 5.983 1.00 0.00 O ATOM 618 CB ASN A 48 -5.987 0.256 4.330 1.00 0.00 C ATOM 619 CG ASN A 48 -6.851 -0.761 5.080 1.00 0.00 C ATOM 620 OD1 ASN A 48 -6.378 -1.530 5.900 1.00 0.00 O ATOM 621 ND2 ASN A 48 -8.140 -0.720 4.755 1.00 0.00 N ATOM 0 H ASN A 48 -4.793 2.510 3.582 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.948 1.803 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.376 0.396 3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.972 -0.128 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.799 -1.358 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.470 -0.051 4.060 1.00 0.00 H new ATOM 628 N PRO A 49 -5.237 2.144 7.327 1.00 0.00 N ATOM 629 CA PRO A 49 -4.332 2.143 8.464 1.00 0.00 C ATOM 630 C PRO A 49 -4.333 0.784 9.166 1.00 0.00 C ATOM 631 O PRO A 49 -4.208 0.712 10.388 1.00 0.00 O ATOM 632 CB PRO A 49 -4.822 3.273 9.357 1.00 0.00 C ATOM 633 CG PRO A 49 -6.250 3.558 8.922 1.00 0.00 C ATOM 634 CD PRO A 49 -6.477 2.873 7.585 1.00 0.00 C ATOM 0 HA PRO A 49 -3.293 2.302 8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.784 2.985 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.196 4.158 9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.956 3.188 9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.415 4.632 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.332 2.198 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.681 3.599 6.798 1.00 0.00 H new ATOM 642 N ALA A 50 -4.474 -0.260 8.362 1.00 0.00 N ATOM 643 CA ALA A 50 -4.492 -1.613 8.892 1.00 0.00 C ATOM 644 C ALA A 50 -3.464 -2.463 8.142 1.00 0.00 C ATOM 645 O ALA A 50 -3.332 -3.658 8.402 1.00 0.00 O ATOM 646 CB ALA A 50 -5.907 -2.184 8.785 1.00 0.00 C ATOM 0 H ALA A 50 -4.577 -0.196 7.349 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.217 -1.616 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.921 -3.199 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.595 -1.561 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.215 -2.200 7.740 1.00 0.00 H new ATOM 652 N ASP A 51 -2.760 -1.812 7.227 1.00 0.00 N ATOM 653 CA ASP A 51 -1.747 -2.493 6.438 1.00 0.00 C ATOM 654 C ASP A 51 -1.036 -3.528 7.313 1.00 0.00 C ATOM 655 O ASP A 51 -0.706 -4.617 6.847 1.00 0.00 O ATOM 656 CB ASP A 51 -0.695 -1.507 5.925 1.00 0.00 C ATOM 657 CG ASP A 51 -0.359 -0.362 6.881 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.391 -0.628 7.845 1.00 0.00 O ATOM 659 OD2 ASP A 51 -0.861 0.755 6.627 1.00 0.00 O ATOM 0 H ASP A 51 -2.871 -0.821 7.015 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.242 -2.968 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.220 -2.057 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.045 -1.083 4.984 1.00 0.00 H new ATOM 665 N PHE A 52 -0.822 -3.152 8.566 1.00 0.00 N ATOM 666 CA PHE A 52 -0.157 -4.034 9.508 1.00 0.00 C ATOM 667 C PHE A 52 1.269 -4.346 9.055 1.00 0.00 C ATOM 668 O PHE A 52 2.231 -4.020 9.748 1.00 0.00 O ATOM 669 CB PHE A 52 -0.963 -5.334 9.549 1.00 0.00 C ATOM 670 CG PHE A 52 -2.294 -5.218 10.297 1.00 0.00 C ATOM 671 CD1 PHE A 52 -2.357 -4.535 11.471 1.00 0.00 C ATOM 672 CD2 PHE A 52 -3.413 -5.797 9.785 1.00 0.00 C ATOM 673 CE1 PHE A 52 -3.592 -4.427 12.164 1.00 0.00 C ATOM 674 CE2 PHE A 52 -4.648 -5.689 10.478 1.00 0.00 C ATOM 675 CZ PHE A 52 -4.712 -5.006 11.652 1.00 0.00 C ATOM 0 H PHE A 52 -1.098 -2.248 8.950 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.102 -3.558 10.487 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.159 -5.660 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.359 -6.109 10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.468 -4.075 11.876 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.363 -6.339 8.852 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.642 -3.885 13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.537 -6.150 10.072 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.652 -4.923 12.178 1.00 0.00 H new ATOM 685 N SER A 53 1.362 -4.976 7.892 1.00 0.00 N ATOM 686 CA SER A 53 2.656 -5.337 7.338 1.00 0.00 C ATOM 687 C SER A 53 3.700 -4.285 7.718 1.00 0.00 C ATOM 688 O SER A 53 3.387 -3.099 7.809 1.00 0.00 O ATOM 689 CB SER A 53 2.581 -5.485 5.816 1.00 0.00 C ATOM 690 OG SER A 53 2.237 -6.812 5.426 1.00 0.00 O ATOM 0 H SER A 53 0.562 -5.245 7.319 1.00 0.00 H new ATOM 0 HA SER A 53 2.951 -6.300 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.843 -4.788 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.542 -5.216 5.378 1.00 0.00 H new ATOM 0 HG SER A 53 2.197 -6.866 4.448 1.00 0.00 H new ATOM 696 N SER A 54 4.919 -4.758 7.930 1.00 0.00 N ATOM 697 CA SER A 54 6.011 -3.874 8.298 1.00 0.00 C ATOM 698 C SER A 54 7.353 -4.565 8.046 1.00 0.00 C ATOM 699 O SER A 54 7.502 -5.755 8.318 1.00 0.00 O ATOM 700 CB SER A 54 5.902 -3.443 9.763 1.00 0.00 C ATOM 701 OG SER A 54 5.682 -4.552 10.629 1.00 0.00 O ATOM 0 H SER A 54 5.174 -5.743 7.854 1.00 0.00 H new ATOM 0 HA SER A 54 5.949 -2.979 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.816 -2.928 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.085 -2.730 9.872 1.00 0.00 H new ATOM 0 HG SER A 54 5.620 -4.237 11.555 1.00 0.00 H new ATOM 707 N VAL A 55 8.295 -3.789 7.530 1.00 0.00 N ATOM 708 CA VAL A 55 9.619 -4.312 7.239 1.00 0.00 C ATOM 709 C VAL A 55 10.664 -3.232 7.525 1.00 0.00 C ATOM 710 O VAL A 55 10.428 -2.334 8.333 1.00 0.00 O ATOM 711 CB VAL A 55 9.672 -4.829 5.800 1.00 0.00 C ATOM 712 CG1 VAL A 55 9.924 -3.685 4.815 1.00 0.00 C ATOM 713 CG2 VAL A 55 10.729 -5.924 5.650 1.00 0.00 C ATOM 0 H VAL A 55 8.168 -2.802 7.306 1.00 0.00 H new ATOM 0 HA VAL A 55 9.845 -5.161 7.884 1.00 0.00 H new ATOM 0 HB VAL A 55 8.701 -5.266 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.957 -4.080 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.120 -2.953 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.875 -3.206 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.746 -6.274 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.708 -5.523 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.487 -6.756 6.311 1.00 0.00 H new ATOM 723 N THR A 56 11.795 -3.353 6.847 1.00 0.00 N ATOM 724 CA THR A 56 12.877 -2.398 7.018 1.00 0.00 C ATOM 725 C THR A 56 13.598 -2.166 5.689 1.00 0.00 C ATOM 726 O THR A 56 13.481 -2.970 4.766 1.00 0.00 O ATOM 727 CB THR A 56 13.795 -2.918 8.126 1.00 0.00 C ATOM 728 OG1 THR A 56 13.297 -2.300 9.310 1.00 0.00 O ATOM 729 CG2 THR A 56 15.223 -2.384 8.001 1.00 0.00 C ATOM 0 H THR A 56 11.986 -4.098 6.177 1.00 0.00 H new ATOM 0 HA THR A 56 12.499 -1.421 7.321 1.00 0.00 H new ATOM 0 HB THR A 56 13.810 -4.008 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.835 -2.584 10.078 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.833 -2.783 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.644 -2.692 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.211 -1.296 8.059 1.00 0.00 H new ATOM 737 N ALA A 57 14.329 -1.062 5.635 1.00 0.00 N ATOM 738 CA ALA A 57 15.070 -0.714 4.434 1.00 0.00 C ATOM 739 C ALA A 57 16.255 -1.670 4.276 1.00 0.00 C ATOM 740 O ALA A 57 16.449 -2.565 5.097 1.00 0.00 O ATOM 741 CB ALA A 57 15.509 0.750 4.512 1.00 0.00 C ATOM 0 H ALA A 57 14.424 -0.397 6.403 1.00 0.00 H new ATOM 0 HA ALA A 57 14.441 -0.820 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 57 16.065 1.012 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.630 1.389 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 57 16.145 0.893 5.385 1.00 0.00 H new ATOM 747 N ASP A 58 17.014 -1.448 3.214 1.00 0.00 N ATOM 748 CA ASP A 58 18.174 -2.278 2.936 1.00 0.00 C ATOM 749 C ASP A 58 19.341 -1.389 2.502 1.00 0.00 C ATOM 750 O ASP A 58 19.169 -0.489 1.683 1.00 0.00 O ATOM 751 CB ASP A 58 17.886 -3.266 1.804 1.00 0.00 C ATOM 752 CG ASP A 58 17.519 -2.626 0.465 1.00 0.00 C ATOM 753 OD1 ASP A 58 17.473 -1.377 0.426 1.00 0.00 O ATOM 754 OD2 ASP A 58 17.291 -3.399 -0.491 1.00 0.00 O ATOM 0 H ASP A 58 16.849 -0.705 2.535 1.00 0.00 H new ATOM 0 HA ASP A 58 18.418 -2.830 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.764 -3.896 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.071 -3.921 2.112 1.00 0.00 H new ATOM 760 N ALA A 59 20.504 -1.674 3.071 1.00 0.00 N ATOM 761 CA ALA A 59 21.699 -0.911 2.753 1.00 0.00 C ATOM 762 C ALA A 59 21.407 0.015 1.572 1.00 0.00 C ATOM 763 O ALA A 59 21.722 -0.313 0.429 1.00 0.00 O ATOM 764 CB ALA A 59 22.857 -1.870 2.471 1.00 0.00 C ATOM 0 H ALA A 59 20.644 -2.422 3.750 1.00 0.00 H new ATOM 0 HA ALA A 59 21.992 -0.286 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 59 23.753 -1.298 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.043 -2.485 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 59 22.601 -2.512 1.628 1.00 0.00 H new ATOM 770 N ASN A 60 20.810 1.155 1.887 1.00 0.00 N ATOM 771 CA ASN A 60 20.473 2.131 0.865 1.00 0.00 C ATOM 772 C ASN A 60 19.173 2.840 1.252 1.00 0.00 C ATOM 773 O ASN A 60 19.007 4.029 0.986 1.00 0.00 O ATOM 774 CB ASN A 60 20.259 1.458 -0.491 1.00 0.00 C ATOM 775 CG ASN A 60 19.473 2.368 -1.438 1.00 0.00 C ATOM 776 OD1 ASN A 60 19.578 3.583 -1.401 1.00 0.00 O ATOM 777 ND2 ASN A 60 18.683 1.714 -2.284 1.00 0.00 N ATOM 0 H ASN A 60 20.551 1.425 2.836 1.00 0.00 H new ATOM 0 HA ASN A 60 21.299 2.838 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.224 1.212 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.722 0.519 -0.354 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.117 2.231 -2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.643 0.695 -2.261 1.00 0.00 H new ATOM 784 N GLY A 61 18.284 2.079 1.874 1.00 0.00 N ATOM 785 CA GLY A 61 17.004 2.619 2.300 1.00 0.00 C ATOM 786 C GLY A 61 15.848 1.921 1.581 1.00 0.00 C ATOM 787 O GLY A 61 14.682 2.192 1.864 1.00 0.00 O ATOM 0 H GLY A 61 18.425 1.093 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.894 2.496 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.971 3.689 2.096 1.00 0.00 H new ATOM 791 N SER A 62 16.211 1.036 0.665 1.00 0.00 N ATOM 792 CA SER A 62 15.218 0.297 -0.097 1.00 0.00 C ATOM 793 C SER A 62 14.623 -0.819 0.764 1.00 0.00 C ATOM 794 O SER A 62 15.357 -1.624 1.337 1.00 0.00 O ATOM 795 CB SER A 62 15.825 -0.285 -1.375 1.00 0.00 C ATOM 796 OG SER A 62 15.222 0.255 -2.547 1.00 0.00 O ATOM 0 H SER A 62 17.179 0.814 0.433 1.00 0.00 H new ATOM 0 HA SER A 62 14.425 0.987 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.896 -0.083 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.705 -1.368 -1.372 1.00 0.00 H new ATOM 0 HG SER A 62 15.638 -0.141 -3.341 1.00 0.00 H new ATOM 802 N ALA A 63 13.300 -0.832 0.828 1.00 0.00 N ATOM 803 CA ALA A 63 12.599 -1.836 1.609 1.00 0.00 C ATOM 804 C ALA A 63 12.567 -3.153 0.829 1.00 0.00 C ATOM 805 O ALA A 63 12.720 -3.159 -0.391 1.00 0.00 O ATOM 806 CB ALA A 63 11.197 -1.329 1.952 1.00 0.00 C ATOM 0 H ALA A 63 12.695 -0.163 0.352 1.00 0.00 H new ATOM 0 HA ALA A 63 13.118 -2.022 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.671 -2.083 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.274 -0.408 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.645 -1.134 1.032 1.00 0.00 H new ATOM 812 N SER A 64 12.369 -4.236 1.567 1.00 0.00 N ATOM 813 CA SER A 64 12.316 -5.555 0.960 1.00 0.00 C ATOM 814 C SER A 64 11.470 -6.493 1.822 1.00 0.00 C ATOM 815 O SER A 64 11.852 -6.824 2.944 1.00 0.00 O ATOM 816 CB SER A 64 13.720 -6.130 0.769 1.00 0.00 C ATOM 817 OG SER A 64 14.391 -6.324 2.011 1.00 0.00 O ATOM 0 H SER A 64 12.243 -4.227 2.579 1.00 0.00 H new ATOM 0 HA SER A 64 11.855 -5.461 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.653 -7.081 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.305 -5.457 0.142 1.00 0.00 H new ATOM 0 HG SER A 64 13.743 -6.597 2.694 1.00 0.00 H new ATOM 823 N THR A 65 10.337 -6.897 1.266 1.00 0.00 N ATOM 824 CA THR A 65 9.435 -7.792 1.970 1.00 0.00 C ATOM 825 C THR A 65 8.186 -8.061 1.128 1.00 0.00 C ATOM 826 O THR A 65 7.963 -7.402 0.114 1.00 0.00 O ATOM 827 CB THR A 65 9.126 -7.173 3.336 1.00 0.00 C ATOM 828 OG1 THR A 65 9.189 -8.275 4.237 1.00 0.00 O ATOM 829 CG2 THR A 65 7.679 -6.686 3.443 1.00 0.00 C ATOM 0 H THR A 65 10.023 -6.621 0.336 1.00 0.00 H new ATOM 0 HA THR A 65 9.893 -8.767 2.135 1.00 0.00 H new ATOM 0 HB THR A 65 9.804 -6.340 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.003 -7.964 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.512 -6.256 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.493 -5.929 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.000 -7.526 3.294 1.00 0.00 H new ATOM 837 N SER A 66 7.405 -9.031 1.580 1.00 0.00 N ATOM 838 CA SER A 66 6.183 -9.395 0.881 1.00 0.00 C ATOM 839 C SER A 66 4.993 -8.647 1.483 1.00 0.00 C ATOM 840 O SER A 66 4.760 -8.711 2.689 1.00 0.00 O ATOM 841 CB SER A 66 5.946 -10.906 0.939 1.00 0.00 C ATOM 842 OG SER A 66 7.118 -11.645 0.605 1.00 0.00 O ATOM 0 H SER A 66 7.594 -9.576 2.421 1.00 0.00 H new ATOM 0 HA SER A 66 6.289 -9.111 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.616 -11.183 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.142 -11.173 0.254 1.00 0.00 H new ATOM 0 HG SER A 66 6.925 -12.605 0.656 1.00 0.00 H new ATOM 848 N LEU A 67 4.270 -7.956 0.614 1.00 0.00 N ATOM 849 CA LEU A 67 3.108 -7.196 1.045 1.00 0.00 C ATOM 850 C LEU A 67 1.837 -7.915 0.590 1.00 0.00 C ATOM 851 O LEU A 67 1.777 -8.436 -0.523 1.00 0.00 O ATOM 852 CB LEU A 67 3.204 -5.749 0.557 1.00 0.00 C ATOM 853 CG LEU A 67 4.557 -5.063 0.755 1.00 0.00 C ATOM 854 CD1 LEU A 67 4.395 -3.544 0.839 1.00 0.00 C ATOM 855 CD2 LEU A 67 5.286 -5.628 1.976 1.00 0.00 C ATOM 0 H LEU A 67 4.466 -7.906 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 67 3.071 -7.140 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.960 -5.728 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.443 -5.162 1.071 1.00 0.00 H new ATOM 0 HG LEU A 67 5.176 -5.274 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.372 -3.081 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.948 -3.174 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.750 -3.293 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.245 -5.123 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.680 -5.468 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.453 -6.696 1.838 1.00 0.00 H new ATOM 867 N THR A 68 0.850 -7.921 1.475 1.00 0.00 N ATOM 868 CA THR A 68 -0.417 -8.567 1.178 1.00 0.00 C ATOM 869 C THR A 68 -1.313 -7.634 0.361 1.00 0.00 C ATOM 870 O THR A 68 -1.896 -6.695 0.902 1.00 0.00 O ATOM 871 CB THR A 68 -1.045 -9.007 2.502 1.00 0.00 C ATOM 872 OG1 THR A 68 -2.390 -9.329 2.159 1.00 0.00 O ATOM 873 CG2 THR A 68 -1.181 -7.853 3.498 1.00 0.00 C ATOM 0 H THR A 68 0.903 -7.489 2.397 1.00 0.00 H new ATOM 0 HA THR A 68 -0.274 -9.453 0.559 1.00 0.00 H new ATOM 0 HB THR A 68 -0.441 -9.799 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.870 -9.626 2.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.632 -8.220 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.195 -7.441 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.813 -7.075 3.069 1.00 0.00 H new ATOM 881 N VAL A 69 -1.396 -7.924 -0.929 1.00 0.00 N ATOM 882 CA VAL A 69 -2.212 -7.124 -1.826 1.00 0.00 C ATOM 883 C VAL A 69 -3.690 -7.362 -1.514 1.00 0.00 C ATOM 884 O VAL A 69 -4.429 -7.882 -2.349 1.00 0.00 O ATOM 885 CB VAL A 69 -1.850 -7.435 -3.280 1.00 0.00 C ATOM 886 CG1 VAL A 69 -2.340 -6.328 -4.216 1.00 0.00 C ATOM 887 CG2 VAL A 69 -0.344 -7.657 -3.435 1.00 0.00 C ATOM 0 H VAL A 69 -0.911 -8.703 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.016 -6.062 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.355 -8.359 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.070 -6.574 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.423 -6.238 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.876 -5.382 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.114 -7.876 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.190 -6.758 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.034 -8.495 -2.811 1.00 0.00 H new ATOM 897 N ARG A 70 -4.078 -6.971 -0.309 1.00 0.00 N ATOM 898 CA ARG A 70 -5.455 -7.135 0.124 1.00 0.00 C ATOM 899 C ARG A 70 -6.386 -6.265 -0.724 1.00 0.00 C ATOM 900 O ARG A 70 -6.163 -5.063 -0.862 1.00 0.00 O ATOM 901 CB ARG A 70 -5.618 -6.758 1.598 1.00 0.00 C ATOM 902 CG ARG A 70 -4.619 -7.517 2.473 1.00 0.00 C ATOM 903 CD ARG A 70 -4.329 -6.753 3.765 1.00 0.00 C ATOM 904 NE ARG A 70 -3.097 -5.948 3.613 1.00 0.00 N ATOM 905 CZ ARG A 70 -2.354 -5.510 4.638 1.00 0.00 C ATOM 906 NH1 ARG A 70 -2.714 -5.796 5.897 1.00 0.00 N ATOM 907 NH2 ARG A 70 -1.250 -4.787 4.405 1.00 0.00 N ATOM 0 H ARG A 70 -3.462 -6.541 0.381 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.719 -8.185 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.472 -5.685 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.634 -6.981 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.016 -8.504 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.691 -7.671 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.170 -6.103 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.216 -7.453 4.593 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.794 -5.712 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.554 -6.347 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.148 -5.463 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.975 -4.570 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.685 -4.454 5.186 1.00 0.00 H new ATOM 921 N ARG A 71 -7.409 -6.907 -1.270 1.00 0.00 N ATOM 922 CA ARG A 71 -8.374 -6.208 -2.102 1.00 0.00 C ATOM 923 C ARG A 71 -9.453 -5.561 -1.231 1.00 0.00 C ATOM 924 O ARG A 71 -9.442 -4.350 -1.019 1.00 0.00 O ATOM 925 CB ARG A 71 -9.035 -7.160 -3.099 1.00 0.00 C ATOM 926 CG ARG A 71 -9.353 -8.505 -2.444 1.00 0.00 C ATOM 927 CD ARG A 71 -10.824 -8.876 -2.638 1.00 0.00 C ATOM 928 NE ARG A 71 -11.372 -9.446 -1.386 1.00 0.00 N ATOM 929 CZ ARG A 71 -12.597 -9.980 -1.277 1.00 0.00 C ATOM 930 NH1 ARG A 71 -13.408 -10.019 -2.342 1.00 0.00 N ATOM 931 NH2 ARG A 71 -13.010 -10.473 -0.101 1.00 0.00 N ATOM 0 H ARG A 71 -7.590 -7.904 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.838 -5.437 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.952 -6.712 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.375 -7.314 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.719 -9.281 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.124 -8.458 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.395 -7.993 -2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.922 -9.598 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.781 -9.431 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.094 -9.642 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.340 -10.425 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.392 -10.442 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.942 -10.879 -0.017 1.00 0.00 H new ATOM 945 N SER A 72 -10.361 -6.398 -0.750 1.00 0.00 N ATOM 946 CA SER A 72 -11.445 -5.924 0.093 1.00 0.00 C ATOM 947 C SER A 72 -10.879 -5.170 1.298 1.00 0.00 C ATOM 948 O SER A 72 -10.447 -5.785 2.273 1.00 0.00 O ATOM 949 CB SER A 72 -12.328 -7.083 0.558 1.00 0.00 C ATOM 950 OG SER A 72 -13.384 -6.642 1.408 1.00 0.00 O ATOM 0 H SER A 72 -10.368 -7.402 -0.928 1.00 0.00 H new ATOM 0 HA SER A 72 -12.064 -5.245 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.749 -7.589 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.717 -7.814 1.088 1.00 0.00 H new ATOM 0 HG SER A 72 -13.926 -7.411 1.682 1.00 0.00 H new ATOM 956 N PHE A 73 -10.901 -3.849 1.194 1.00 0.00 N ATOM 957 CA PHE A 73 -10.395 -3.005 2.263 1.00 0.00 C ATOM 958 C PHE A 73 -11.318 -1.808 2.498 1.00 0.00 C ATOM 959 O PHE A 73 -12.158 -1.492 1.657 1.00 0.00 O ATOM 960 CB PHE A 73 -9.022 -2.497 1.820 1.00 0.00 C ATOM 961 CG PHE A 73 -7.868 -2.977 2.701 1.00 0.00 C ATOM 962 CD1 PHE A 73 -7.980 -4.141 3.396 1.00 0.00 C ATOM 963 CD2 PHE A 73 -6.727 -2.240 2.790 1.00 0.00 C ATOM 964 CE1 PHE A 73 -6.908 -4.587 4.214 1.00 0.00 C ATOM 965 CE2 PHE A 73 -5.656 -2.687 3.608 1.00 0.00 C ATOM 966 CZ PHE A 73 -5.769 -3.850 4.302 1.00 0.00 C ATOM 0 H PHE A 73 -11.262 -3.343 0.385 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.338 -3.573 3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.841 -2.818 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.033 -1.407 1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.885 -4.726 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.636 -1.316 2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.998 -5.511 4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.751 -2.102 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.954 -4.189 4.924 1.00 0.00 H new ATOM 976 N GLU A 74 -11.131 -1.173 3.646 1.00 0.00 N ATOM 977 CA GLU A 74 -11.935 -0.017 4.003 1.00 0.00 C ATOM 978 C GLU A 74 -11.040 1.201 4.237 1.00 0.00 C ATOM 979 O GLU A 74 -10.881 1.651 5.371 1.00 0.00 O ATOM 980 CB GLU A 74 -12.798 -0.308 5.233 1.00 0.00 C ATOM 981 CG GLU A 74 -11.989 -1.033 6.310 1.00 0.00 C ATOM 982 CD GLU A 74 -12.380 -0.547 7.709 1.00 0.00 C ATOM 983 OE1 GLU A 74 -13.287 -1.177 8.294 1.00 0.00 O ATOM 984 OE2 GLU A 74 -11.763 0.441 8.159 1.00 0.00 O ATOM 0 H GLU A 74 -10.433 -1.438 4.341 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.606 0.204 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.191 0.626 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.655 -0.917 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.156 -2.107 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.925 -0.864 6.146 1.00 0.00 H new ATOM 992 N GLY A 75 -10.478 1.700 3.146 1.00 0.00 N ATOM 993 CA GLY A 75 -9.603 2.858 3.218 1.00 0.00 C ATOM 994 C GLY A 75 -10.333 4.062 3.817 1.00 0.00 C ATOM 995 O GLY A 75 -11.553 4.035 3.977 1.00 0.00 O ATOM 0 H GLY A 75 -10.611 1.324 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.729 2.620 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.241 3.107 2.220 1.00 0.00 H new ATOM 999 N PHE A 76 -9.557 5.088 4.132 1.00 0.00 N ATOM 1000 CA PHE A 76 -10.115 6.299 4.709 1.00 0.00 C ATOM 1001 C PHE A 76 -9.861 7.506 3.804 1.00 0.00 C ATOM 1002 O PHE A 76 -8.734 7.730 3.365 1.00 0.00 O ATOM 1003 CB PHE A 76 -9.408 6.523 6.048 1.00 0.00 C ATOM 1004 CG PHE A 76 -9.901 5.608 7.172 1.00 0.00 C ATOM 1005 CD1 PHE A 76 -9.894 4.259 7.003 1.00 0.00 C ATOM 1006 CD2 PHE A 76 -10.346 6.146 8.339 1.00 0.00 C ATOM 1007 CE1 PHE A 76 -10.350 3.410 8.046 1.00 0.00 C ATOM 1008 CE2 PHE A 76 -10.803 5.297 9.383 1.00 0.00 C ATOM 1009 CZ PHE A 76 -10.795 3.948 9.214 1.00 0.00 C ATOM 0 H PHE A 76 -8.546 5.106 3.999 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.193 6.191 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.337 6.370 5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.546 7.561 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.542 3.833 6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.352 7.218 8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.344 2.338 7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -11.157 5.723 10.310 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.142 3.303 10.007 1.00 0.00 H new ATOM 1019 N LEU A 77 -10.927 8.251 3.552 1.00 0.00 N ATOM 1020 CA LEU A 77 -10.834 9.429 2.707 1.00 0.00 C ATOM 1021 C LEU A 77 -9.459 10.076 2.891 1.00 0.00 C ATOM 1022 O LEU A 77 -8.678 10.163 1.945 1.00 0.00 O ATOM 1023 CB LEU A 77 -12.001 10.379 2.980 1.00 0.00 C ATOM 1024 CG LEU A 77 -13.282 10.113 2.186 1.00 0.00 C ATOM 1025 CD1 LEU A 77 -13.173 10.674 0.767 1.00 0.00 C ATOM 1026 CD2 LEU A 77 -13.629 8.622 2.188 1.00 0.00 C ATOM 0 H LEU A 77 -11.860 8.062 3.918 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.919 9.151 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.240 10.334 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.672 11.397 2.770 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.103 10.635 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.096 10.472 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.007 11.750 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.338 10.200 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.543 8.460 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.814 8.058 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.777 8.284 3.214 1.00 0.00 H new ATOM 1038 N PHE A 78 -9.206 10.514 4.115 1.00 0.00 N ATOM 1039 CA PHE A 78 -7.939 11.150 4.436 1.00 0.00 C ATOM 1040 C PHE A 78 -8.064 12.022 5.686 1.00 0.00 C ATOM 1041 O PHE A 78 -7.072 12.292 6.362 1.00 0.00 O ATOM 1042 CB PHE A 78 -7.570 12.036 3.245 1.00 0.00 C ATOM 1043 CG PHE A 78 -6.656 13.210 3.603 1.00 0.00 C ATOM 1044 CD1 PHE A 78 -7.138 14.247 4.338 1.00 0.00 C ATOM 1045 CD2 PHE A 78 -5.362 13.216 3.185 1.00 0.00 C ATOM 1046 CE1 PHE A 78 -6.289 15.337 4.670 1.00 0.00 C ATOM 1047 CE2 PHE A 78 -4.513 14.305 3.517 1.00 0.00 C ATOM 1048 CZ PHE A 78 -4.996 15.342 4.253 1.00 0.00 C ATOM 0 H PHE A 78 -9.857 10.441 4.897 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.180 10.392 4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.079 11.424 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.485 12.424 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.166 14.242 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.980 12.392 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.671 16.161 5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.485 14.310 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.351 16.170 4.506 1.00 0.00 H new ATOM 1058 N ASP A 79 -9.293 12.439 5.957 1.00 0.00 N ATOM 1059 CA ASP A 79 -9.561 13.275 7.114 1.00 0.00 C ATOM 1060 C ASP A 79 -9.985 12.392 8.290 1.00 0.00 C ATOM 1061 O ASP A 79 -9.283 12.314 9.297 1.00 0.00 O ATOM 1062 CB ASP A 79 -10.696 14.261 6.830 1.00 0.00 C ATOM 1063 CG ASP A 79 -10.279 15.732 6.786 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -10.239 16.277 5.662 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -10.010 16.279 7.878 1.00 0.00 O ATOM 0 H ASP A 79 -10.113 12.213 5.395 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.652 13.829 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.153 14.000 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.463 14.139 7.595 1.00 0.00 H new ATOM 1071 N GLY A 80 -11.132 11.749 8.122 1.00 0.00 N ATOM 1072 CA GLY A 80 -11.657 10.874 9.156 1.00 0.00 C ATOM 1073 C GLY A 80 -12.932 10.172 8.684 1.00 0.00 C ATOM 1074 O GLY A 80 -13.874 10.002 9.456 1.00 0.00 O ATOM 0 H GLY A 80 -11.712 11.817 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.906 10.131 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.868 11.453 10.055 1.00 0.00 H new ATOM 1078 N THR A 81 -12.921 9.782 7.418 1.00 0.00 N ATOM 1079 CA THR A 81 -14.063 9.101 6.834 1.00 0.00 C ATOM 1080 C THR A 81 -13.642 7.747 6.260 1.00 0.00 C ATOM 1081 O THR A 81 -12.792 7.682 5.374 1.00 0.00 O ATOM 1082 CB THR A 81 -14.689 10.034 5.794 1.00 0.00 C ATOM 1083 OG1 THR A 81 -15.165 11.137 6.560 1.00 0.00 O ATOM 1084 CG2 THR A 81 -15.951 9.445 5.164 1.00 0.00 C ATOM 0 H THR A 81 -12.138 9.925 6.780 1.00 0.00 H new ATOM 0 HA THR A 81 -14.818 8.878 7.588 1.00 0.00 H new ATOM 0 HB THR A 81 -13.960 10.248 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 81 -15.585 11.792 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 81 -16.355 10.147 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.706 8.506 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.694 9.262 5.940 1.00 0.00 H new ATOM 1092 N ARG A 82 -14.257 6.699 6.789 1.00 0.00 N ATOM 1093 CA ARG A 82 -13.956 5.351 6.341 1.00 0.00 C ATOM 1094 C ARG A 82 -14.761 5.018 5.083 1.00 0.00 C ATOM 1095 O ARG A 82 -15.985 4.902 5.137 1.00 0.00 O ATOM 1096 CB ARG A 82 -14.277 4.324 7.428 1.00 0.00 C ATOM 1097 CG ARG A 82 -15.701 4.508 7.954 1.00 0.00 C ATOM 1098 CD ARG A 82 -15.693 4.952 9.419 1.00 0.00 C ATOM 1099 NE ARG A 82 -17.069 4.926 9.963 1.00 0.00 N ATOM 1100 CZ ARG A 82 -17.673 3.823 10.424 1.00 0.00 C ATOM 1101 NH1 ARG A 82 -17.028 2.649 10.409 1.00 0.00 N ATOM 1102 NH2 ARG A 82 -18.924 3.893 10.900 1.00 0.00 N ATOM 0 H ARG A 82 -14.962 6.757 7.524 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.890 5.307 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.161 3.317 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.567 4.424 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.223 5.249 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.252 3.572 7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.050 4.294 10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.280 5.957 9.501 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.590 5.803 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.076 2.595 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.489 1.809 10.760 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.416 4.786 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.384 3.053 11.251 1.00 0.00 H new ATOM 1116 N TRP A 83 -14.042 4.874 3.979 1.00 0.00 N ATOM 1117 CA TRP A 83 -14.673 4.556 2.710 1.00 0.00 C ATOM 1118 C TRP A 83 -15.628 3.381 2.937 1.00 0.00 C ATOM 1119 O TRP A 83 -16.832 3.576 3.088 1.00 0.00 O ATOM 1120 CB TRP A 83 -13.626 4.276 1.631 1.00 0.00 C ATOM 1121 CG TRP A 83 -13.614 5.300 0.494 1.00 0.00 C ATOM 1122 CD1 TRP A 83 -12.690 6.234 0.235 1.00 0.00 C ATOM 1123 CD2 TRP A 83 -14.615 5.454 -0.535 1.00 0.00 C ATOM 1124 NE1 TRP A 83 -13.020 6.977 -0.881 1.00 0.00 N ATOM 1125 CE2 TRP A 83 -14.228 6.488 -1.363 1.00 0.00 C ATOM 1126 CE3 TRP A 83 -15.807 4.744 -0.757 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 -14.977 6.904 -2.470 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 -16.546 5.172 -1.867 1.00 0.00 C ATOM 1129 CH2 TRP A 83 -16.170 6.211 -2.711 1.00 0.00 C ATOM 0 H TRP A 83 -13.028 4.972 3.938 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.248 5.406 2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.640 4.251 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -13.806 3.286 1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.798 6.387 0.825 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.477 7.744 -1.278 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -16.128 3.932 -0.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -14.652 7.716 -3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -17.472 4.660 -2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -16.795 6.482 -3.549 1.00 0.00 H new ATOM 1140 N GLY A 84 -15.052 2.188 2.954 1.00 0.00 N ATOM 1141 CA GLY A 84 -15.836 0.982 3.160 1.00 0.00 C ATOM 1142 C GLY A 84 -15.050 -0.261 2.737 1.00 0.00 C ATOM 1143 O GLY A 84 -14.260 -0.210 1.796 1.00 0.00 O ATOM 0 H GLY A 84 -14.052 2.031 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.115 0.900 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.762 1.044 2.588 1.00 0.00 H new ATOM 1147 N THR A 85 -15.295 -1.349 3.453 1.00 0.00 N ATOM 1148 CA THR A 85 -14.621 -2.602 3.165 1.00 0.00 C ATOM 1149 C THR A 85 -15.110 -3.177 1.833 1.00 0.00 C ATOM 1150 O THR A 85 -15.803 -4.192 1.809 1.00 0.00 O ATOM 1151 CB THR A 85 -14.844 -3.544 4.351 1.00 0.00 C ATOM 1152 OG1 THR A 85 -13.969 -3.045 5.359 1.00 0.00 O ATOM 1153 CG2 THR A 85 -14.330 -4.959 4.080 1.00 0.00 C ATOM 0 H THR A 85 -15.952 -1.388 4.232 1.00 0.00 H new ATOM 0 HA THR A 85 -13.548 -2.454 3.046 1.00 0.00 H new ATOM 0 HB THR A 85 -15.907 -3.583 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.050 -3.596 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.513 -5.586 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.850 -5.376 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 85 -13.260 -4.925 3.876 1.00 0.00 H new ATOM 1161 N VAL A 86 -14.728 -2.502 0.759 1.00 0.00 N ATOM 1162 CA VAL A 86 -15.119 -2.932 -0.573 1.00 0.00 C ATOM 1163 C VAL A 86 -13.870 -3.326 -1.363 1.00 0.00 C ATOM 1164 O VAL A 86 -12.748 -3.090 -0.917 1.00 0.00 O ATOM 1165 CB VAL A 86 -15.938 -1.835 -1.258 1.00 0.00 C ATOM 1166 CG1 VAL A 86 -15.049 -0.657 -1.659 1.00 0.00 C ATOM 1167 CG2 VAL A 86 -16.693 -2.391 -2.467 1.00 0.00 C ATOM 0 H VAL A 86 -14.152 -1.661 0.784 1.00 0.00 H new ATOM 0 HA VAL A 86 -15.761 -3.811 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.674 -1.469 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.656 0.108 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.578 -0.238 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.279 -1.001 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -17.267 -1.592 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.981 -2.796 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -17.370 -3.181 -2.142 1.00 0.00 H new ATOM 1177 N ASP A 87 -14.106 -3.921 -2.523 1.00 0.00 N ATOM 1178 CA ASP A 87 -13.014 -4.350 -3.380 1.00 0.00 C ATOM 1179 C ASP A 87 -12.178 -3.134 -3.783 1.00 0.00 C ATOM 1180 O ASP A 87 -12.447 -2.501 -4.803 1.00 0.00 O ATOM 1181 CB ASP A 87 -13.541 -5.006 -4.658 1.00 0.00 C ATOM 1182 CG ASP A 87 -13.487 -6.534 -4.671 1.00 0.00 C ATOM 1183 OD1 ASP A 87 -13.649 -7.098 -5.775 1.00 0.00 O ATOM 1184 OD2 ASP A 87 -13.286 -7.104 -3.577 1.00 0.00 O ATOM 0 H ASP A 87 -15.038 -4.116 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.415 -5.072 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.574 -4.693 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.967 -4.630 -5.505 1.00 0.00 H new ATOM 1190 N CYS A 88 -11.181 -2.843 -2.961 1.00 0.00 N ATOM 1191 CA CYS A 88 -10.305 -1.713 -3.218 1.00 0.00 C ATOM 1192 C CYS A 88 -9.831 -1.794 -4.671 1.00 0.00 C ATOM 1193 O CYS A 88 -9.477 -0.779 -5.270 1.00 0.00 O ATOM 1194 CB CYS A 88 -9.131 -1.672 -2.237 1.00 0.00 C ATOM 1195 SG CYS A 88 -7.806 -2.889 -2.574 1.00 0.00 S ATOM 0 H CYS A 88 -10.960 -3.370 -2.116 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.853 -0.783 -3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -8.698 -0.672 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.512 -1.840 -1.230 1.00 0.00 H new ATOM 1200 N THR A 89 -9.840 -3.010 -5.196 1.00 0.00 N ATOM 1201 CA THR A 89 -9.415 -3.237 -6.567 1.00 0.00 C ATOM 1202 C THR A 89 -10.163 -2.300 -7.518 1.00 0.00 C ATOM 1203 O THR A 89 -9.656 -1.961 -8.586 1.00 0.00 O ATOM 1204 CB THR A 89 -9.621 -4.719 -6.887 1.00 0.00 C ATOM 1205 OG1 THR A 89 -9.158 -4.853 -8.228 1.00 0.00 O ATOM 1206 CG2 THR A 89 -11.101 -5.101 -6.964 1.00 0.00 C ATOM 0 H THR A 89 -10.135 -3.849 -4.697 1.00 0.00 H new ATOM 0 HA THR A 89 -8.358 -3.006 -6.697 1.00 0.00 H new ATOM 0 HB THR A 89 -9.128 -5.326 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.071 -5.803 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.191 -6.163 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.580 -4.895 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.587 -4.518 -7.746 1.00 0.00 H new ATOM 1214 N THR A 90 -11.357 -1.910 -7.096 1.00 0.00 N ATOM 1215 CA THR A 90 -12.179 -1.019 -7.897 1.00 0.00 C ATOM 1216 C THR A 90 -11.539 0.368 -7.979 1.00 0.00 C ATOM 1217 O THR A 90 -11.774 1.108 -8.934 1.00 0.00 O ATOM 1218 CB THR A 90 -13.585 -1.005 -7.294 1.00 0.00 C ATOM 1219 OG1 THR A 90 -14.344 -1.841 -8.163 1.00 0.00 O ATOM 1220 CG2 THR A 90 -14.259 0.364 -7.412 1.00 0.00 C ATOM 0 H THR A 90 -11.775 -2.195 -6.210 1.00 0.00 H new ATOM 0 HA THR A 90 -12.254 -1.368 -8.927 1.00 0.00 H new ATOM 0 HB THR A 90 -13.533 -1.295 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 90 -15.270 -1.889 -7.844 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.254 0.319 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.662 1.110 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.342 0.639 -8.463 1.00 0.00 H new ATOM 1228 N ALA A 91 -10.743 0.679 -6.967 1.00 0.00 N ATOM 1229 CA ALA A 91 -10.068 1.964 -6.913 1.00 0.00 C ATOM 1230 C ALA A 91 -8.563 1.753 -7.096 1.00 0.00 C ATOM 1231 O ALA A 91 -7.757 2.512 -6.562 1.00 0.00 O ATOM 1232 CB ALA A 91 -10.402 2.661 -5.593 1.00 0.00 C ATOM 0 H ALA A 91 -10.550 0.063 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.411 2.612 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.895 3.625 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.479 2.814 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.070 2.041 -4.760 1.00 0.00 H new ATOM 1238 N ALA A 92 -8.232 0.717 -7.853 1.00 0.00 N ATOM 1239 CA ALA A 92 -6.839 0.396 -8.115 1.00 0.00 C ATOM 1240 C ALA A 92 -6.017 0.648 -6.849 1.00 0.00 C ATOM 1241 O ALA A 92 -5.051 1.410 -6.872 1.00 0.00 O ATOM 1242 CB ALA A 92 -6.340 1.216 -9.306 1.00 0.00 C ATOM 0 H ALA A 92 -8.904 0.089 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.730 -0.657 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.295 0.975 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.938 0.980 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.431 2.278 -9.080 1.00 0.00 H new ATOM 1248 N CYS A 93 -6.428 -0.008 -5.774 1.00 0.00 N ATOM 1249 CA CYS A 93 -5.742 0.135 -4.502 1.00 0.00 C ATOM 1250 C CYS A 93 -4.235 0.111 -4.763 1.00 0.00 C ATOM 1251 O CYS A 93 -3.792 -0.332 -5.822 1.00 0.00 O ATOM 1252 CB CYS A 93 -6.165 -0.947 -3.506 1.00 0.00 C ATOM 1253 SG CYS A 93 -6.993 -2.398 -4.255 1.00 0.00 S ATOM 0 H CYS A 93 -7.228 -0.640 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.016 1.086 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.282 -1.289 -2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.836 -0.502 -2.771 1.00 0.00 H new ATOM 1258 N GLN A 94 -3.488 0.595 -3.782 1.00 0.00 N ATOM 1259 CA GLN A 94 -2.040 0.636 -3.893 1.00 0.00 C ATOM 1260 C GLN A 94 -1.394 0.158 -2.590 1.00 0.00 C ATOM 1261 O GLN A 94 -1.973 0.308 -1.514 1.00 0.00 O ATOM 1262 CB GLN A 94 -1.557 2.040 -4.261 1.00 0.00 C ATOM 1263 CG GLN A 94 -1.582 2.965 -3.043 1.00 0.00 C ATOM 1264 CD GLN A 94 -2.540 4.137 -3.265 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -3.629 4.195 -2.718 1.00 0.00 O ATOM 1266 NE2 GLN A 94 -2.074 5.068 -4.093 1.00 0.00 N ATOM 0 H GLN A 94 -3.859 0.962 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.738 -0.038 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.544 1.987 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.189 2.451 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.888 2.403 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.578 3.343 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.153 4.958 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.638 5.892 -4.303 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.204 -0.408 -2.730 1.00 0.00 N ATOM 1276 CA VAL A 95 0.526 -0.909 -1.578 1.00 0.00 C ATOM 1277 C VAL A 95 1.976 -0.426 -1.650 1.00 0.00 C ATOM 1278 O VAL A 95 2.702 -0.767 -2.583 1.00 0.00 O ATOM 1279 CB VAL A 95 0.406 -2.433 -1.504 1.00 0.00 C ATOM 1280 CG1 VAL A 95 0.993 -3.090 -2.754 1.00 0.00 C ATOM 1281 CG2 VAL A 95 1.071 -2.973 -0.237 1.00 0.00 C ATOM 0 H VAL A 95 0.273 -0.531 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 95 0.098 -0.518 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.654 -2.685 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.895 -4.173 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.456 -2.740 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.047 -2.826 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.972 -4.058 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.128 -2.705 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.588 -2.541 0.640 1.00 0.00 H new ATOM 1291 N GLY A 96 2.355 0.360 -0.653 1.00 0.00 N ATOM 1292 CA GLY A 96 3.705 0.893 -0.592 1.00 0.00 C ATOM 1293 C GLY A 96 4.307 0.701 0.801 1.00 0.00 C ATOM 1294 O GLY A 96 3.893 -0.188 1.544 1.00 0.00 O ATOM 0 H GLY A 96 1.750 0.641 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.330 0.396 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.693 1.953 -0.844 1.00 0.00 H new ATOM 1298 N LEU A 97 5.275 1.550 1.116 1.00 0.00 N ATOM 1299 CA LEU A 97 5.939 1.485 2.406 1.00 0.00 C ATOM 1300 C LEU A 97 5.581 2.729 3.221 1.00 0.00 C ATOM 1301 O LEU A 97 5.321 3.791 2.658 1.00 0.00 O ATOM 1302 CB LEU A 97 7.445 1.280 2.225 1.00 0.00 C ATOM 1303 CG LEU A 97 7.967 -0.131 2.499 1.00 0.00 C ATOM 1304 CD1 LEU A 97 7.359 -0.702 3.782 1.00 0.00 C ATOM 1305 CD2 LEU A 97 7.730 -1.047 1.296 1.00 0.00 C ATOM 0 H LEU A 97 5.615 2.287 0.499 1.00 0.00 H new ATOM 0 HA LEU A 97 5.590 0.621 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.708 1.551 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.968 1.974 2.883 1.00 0.00 H new ATOM 0 HG LEU A 97 9.045 -0.072 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.747 -1.706 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.622 -0.063 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.274 -0.744 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.111 -2.044 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.662 -1.104 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.249 -0.646 0.425 1.00 0.00 H new ATOM 1317 N SER A 98 5.580 2.557 4.535 1.00 0.00 N ATOM 1318 CA SER A 98 5.259 3.652 5.434 1.00 0.00 C ATOM 1319 C SER A 98 6.256 3.687 6.593 1.00 0.00 C ATOM 1320 O SER A 98 6.824 2.659 6.960 1.00 0.00 O ATOM 1321 CB SER A 98 3.830 3.527 5.966 1.00 0.00 C ATOM 1322 OG SER A 98 3.157 4.783 5.989 1.00 0.00 O ATOM 0 H SER A 98 5.797 1.675 4.999 1.00 0.00 H new ATOM 0 HA SER A 98 5.329 4.585 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.271 2.828 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.853 3.110 6.973 1.00 0.00 H new ATOM 0 HG SER A 98 2.248 4.661 6.333 1.00 0.00 H new ATOM 1328 N ASP A 99 6.439 4.881 7.140 1.00 0.00 N ATOM 1329 CA ASP A 99 7.357 5.063 8.251 1.00 0.00 C ATOM 1330 C ASP A 99 6.616 4.812 9.565 1.00 0.00 C ATOM 1331 O ASP A 99 5.413 4.556 9.565 1.00 0.00 O ATOM 1332 CB ASP A 99 7.907 6.490 8.283 1.00 0.00 C ATOM 1333 CG ASP A 99 7.616 7.323 7.031 1.00 0.00 C ATOM 1334 OD1 ASP A 99 6.432 7.353 6.632 1.00 0.00 O ATOM 1335 OD2 ASP A 99 8.585 7.910 6.503 1.00 0.00 O ATOM 0 H ASP A 99 5.967 5.732 6.834 1.00 0.00 H new ATOM 0 HA ASP A 99 8.182 4.362 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 99 7.490 7.005 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.986 6.444 8.428 1.00 0.00 H new ATOM 1341 N ALA A 100 7.366 4.896 10.655 1.00 0.00 N ATOM 1342 CA ALA A 100 6.795 4.682 11.975 1.00 0.00 C ATOM 1343 C ALA A 100 6.053 5.946 12.416 1.00 0.00 C ATOM 1344 O ALA A 100 5.608 6.041 13.558 1.00 0.00 O ATOM 1345 CB ALA A 100 7.903 4.285 12.952 1.00 0.00 C ATOM 0 H ALA A 100 8.363 5.109 10.651 1.00 0.00 H new ATOM 0 HA ALA A 100 6.072 3.866 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.475 4.125 13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.379 3.366 12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.646 5.081 13.003 1.00 0.00 H new ATOM 1351 N ALA A 101 5.943 6.883 11.486 1.00 0.00 N ATOM 1352 CA ALA A 101 5.263 8.137 11.765 1.00 0.00 C ATOM 1353 C ALA A 101 4.085 8.299 10.802 1.00 0.00 C ATOM 1354 O ALA A 101 3.271 9.207 10.958 1.00 0.00 O ATOM 1355 CB ALA A 101 6.260 9.292 11.666 1.00 0.00 C ATOM 0 H ALA A 101 6.313 6.799 10.539 1.00 0.00 H new ATOM 0 HA ALA A 101 4.863 8.139 12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.750 10.232 11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.061 9.145 12.391 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.681 9.324 10.661 1.00 0.00 H new ATOM 1361 N GLY A 102 4.033 7.403 9.826 1.00 0.00 N ATOM 1362 CA GLY A 102 2.969 7.436 8.838 1.00 0.00 C ATOM 1363 C GLY A 102 3.110 8.651 7.919 1.00 0.00 C ATOM 1364 O GLY A 102 2.120 9.296 7.580 1.00 0.00 O ATOM 0 H GLY A 102 4.710 6.651 9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.991 6.522 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.002 7.466 9.341 1.00 0.00 H new ATOM 1368 N ASN A 103 4.350 8.928 7.543 1.00 0.00 N ATOM 1369 CA ASN A 103 4.634 10.055 6.671 1.00 0.00 C ATOM 1370 C ASN A 103 3.812 9.922 5.388 1.00 0.00 C ATOM 1371 O ASN A 103 2.858 9.146 5.336 1.00 0.00 O ATOM 1372 CB ASN A 103 6.114 10.091 6.282 1.00 0.00 C ATOM 1373 CG ASN A 103 6.642 11.527 6.273 1.00 0.00 C ATOM 1374 OD1 ASN A 103 6.478 12.283 7.216 1.00 0.00 O ATOM 1375 ND2 ASN A 103 7.286 11.859 5.156 1.00 0.00 N ATOM 0 H ASN A 103 5.170 8.391 7.826 1.00 0.00 H new ATOM 0 HA ASN A 103 4.379 10.969 7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 103 6.693 9.491 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.246 9.645 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 103 7.678 12.795 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 103 7.388 11.177 4.404 1.00 0.00 H new ATOM 1382 N GLY A 104 4.209 10.690 4.385 1.00 0.00 N ATOM 1383 CA GLY A 104 3.520 10.667 3.106 1.00 0.00 C ATOM 1384 C GLY A 104 3.288 9.230 2.634 1.00 0.00 C ATOM 1385 O GLY A 104 4.191 8.397 2.703 1.00 0.00 O ATOM 0 H GLY A 104 5.000 11.333 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.564 11.183 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.107 11.207 2.363 1.00 0.00 H new ATOM 1389 N PRO A 105 2.043 8.977 2.151 1.00 0.00 N ATOM 1390 CA PRO A 105 1.681 7.656 1.666 1.00 0.00 C ATOM 1391 C PRO A 105 2.304 7.385 0.296 1.00 0.00 C ATOM 1392 O PRO A 105 3.347 7.945 -0.037 1.00 0.00 O ATOM 1393 CB PRO A 105 0.161 7.649 1.640 1.00 0.00 C ATOM 1394 CG PRO A 105 -0.263 9.109 1.664 1.00 0.00 C ATOM 1395 CD PRO A 105 0.949 9.939 2.053 1.00 0.00 C ATOM 0 HA PRO A 105 2.059 6.856 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.212 7.149 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.242 7.111 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.637 9.414 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.074 9.260 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.161 10.704 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.789 10.454 3.000 1.00 0.00 H new ATOM 1403 N GLU A 106 1.639 6.524 -0.461 1.00 0.00 N ATOM 1404 CA GLU A 106 2.114 6.171 -1.788 1.00 0.00 C ATOM 1405 C GLU A 106 2.757 4.783 -1.770 1.00 0.00 C ATOM 1406 O GLU A 106 3.304 4.361 -0.752 1.00 0.00 O ATOM 1407 CB GLU A 106 3.094 7.221 -2.316 1.00 0.00 C ATOM 1408 CG GLU A 106 3.228 7.130 -3.838 1.00 0.00 C ATOM 1409 CD GLU A 106 3.524 8.502 -4.445 1.00 0.00 C ATOM 1410 OE1 GLU A 106 4.718 8.873 -4.456 1.00 0.00 O ATOM 1411 OE2 GLU A 106 2.550 9.151 -4.885 1.00 0.00 O ATOM 0 H GLU A 106 0.775 6.061 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 106 1.259 6.146 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.751 8.217 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.070 7.078 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.027 6.434 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.308 6.731 -4.264 1.00 0.00 H new ATOM 1419 N GLY A 107 2.666 4.110 -2.907 1.00 0.00 N ATOM 1420 CA GLY A 107 3.231 2.777 -3.035 1.00 0.00 C ATOM 1421 C GLY A 107 3.261 2.332 -4.499 1.00 0.00 C ATOM 1422 O GLY A 107 4.290 2.441 -5.163 1.00 0.00 O ATOM 0 H GLY A 107 2.210 4.462 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.242 2.766 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.643 2.071 -2.449 1.00 0.00 H new ATOM 1426 N VAL A 108 2.120 1.841 -4.958 1.00 0.00 N ATOM 1427 CA VAL A 108 2.002 1.379 -6.331 1.00 0.00 C ATOM 1428 C VAL A 108 0.588 0.842 -6.565 1.00 0.00 C ATOM 1429 O VAL A 108 0.072 0.071 -5.758 1.00 0.00 O ATOM 1430 CB VAL A 108 3.091 0.346 -6.631 1.00 0.00 C ATOM 1431 CG1 VAL A 108 3.288 -0.601 -5.445 1.00 0.00 C ATOM 1432 CG2 VAL A 108 2.771 -0.433 -7.907 1.00 0.00 C ATOM 0 H VAL A 108 1.268 1.753 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 108 2.155 2.205 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 108 4.027 0.882 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.067 -1.325 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.583 -0.027 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.355 -1.126 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.561 -1.160 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.820 -0.953 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.704 0.258 -8.748 1.00 0.00 H new ATOM 1442 N ALA A 109 0.002 1.273 -7.672 1.00 0.00 N ATOM 1443 CA ALA A 109 -1.342 0.846 -8.022 1.00 0.00 C ATOM 1444 C ALA A 109 -1.283 -0.554 -8.638 1.00 0.00 C ATOM 1445 O ALA A 109 -0.826 -0.720 -9.768 1.00 0.00 O ATOM 1446 CB ALA A 109 -1.974 1.872 -8.965 1.00 0.00 C ATOM 0 H ALA A 109 0.433 1.914 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.971 0.789 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.982 1.552 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.019 2.842 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.372 1.954 -9.870 1.00 0.00 H new ATOM 1452 N ILE A 110 -1.752 -1.524 -7.867 1.00 0.00 N ATOM 1453 CA ILE A 110 -1.758 -2.904 -8.322 1.00 0.00 C ATOM 1454 C ILE A 110 -3.195 -3.325 -8.637 1.00 0.00 C ATOM 1455 O ILE A 110 -4.145 -2.710 -8.156 1.00 0.00 O ATOM 1456 CB ILE A 110 -1.062 -3.808 -7.304 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.447 -3.550 -7.282 1.00 0.00 C ATOM 1458 CG2 ILE A 110 -1.388 -5.280 -7.563 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.900 -3.053 -5.908 1.00 0.00 C ATOM 0 H ILE A 110 -2.130 -1.382 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 110 -1.186 -3.003 -9.244 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.445 -3.564 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.980 -4.467 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.704 -2.812 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.880 -5.901 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.465 -5.433 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -1.052 -5.557 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.976 -2.878 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.384 -2.123 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.664 -3.803 -5.154 1.00 0.00 H new ATOM 1471 N SER A 111 -3.308 -4.371 -9.442 1.00 0.00 N ATOM 1472 CA SER A 111 -4.612 -4.883 -9.826 1.00 0.00 C ATOM 1473 C SER A 111 -5.087 -5.924 -8.811 1.00 0.00 C ATOM 1474 O SER A 111 -4.859 -7.119 -8.990 1.00 0.00 O ATOM 1475 CB SER A 111 -4.575 -5.489 -11.231 1.00 0.00 C ATOM 1476 OG SER A 111 -4.979 -4.555 -12.227 1.00 0.00 O ATOM 0 H SER A 111 -2.517 -4.878 -9.839 1.00 0.00 H new ATOM 0 HA SER A 111 -5.315 -4.050 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.565 -5.837 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.227 -6.361 -11.267 1.00 0.00 H new ATOM 0 HG SER A 111 -4.940 -4.980 -13.109 1.00 0.00 H new ATOM 1482 N PHE A 112 -5.738 -5.432 -7.767 1.00 0.00 N ATOM 1483 CA PHE A 112 -6.246 -6.305 -6.723 1.00 0.00 C ATOM 1484 C PHE A 112 -7.455 -7.103 -7.216 1.00 0.00 C ATOM 1485 O PHE A 112 -7.974 -6.844 -8.300 1.00 0.00 O ATOM 1486 CB PHE A 112 -6.681 -5.408 -5.562 1.00 0.00 C ATOM 1487 CG PHE A 112 -5.518 -4.829 -4.754 1.00 0.00 C ATOM 1488 CD1 PHE A 112 -4.693 -3.906 -5.315 1.00 0.00 C ATOM 1489 CD2 PHE A 112 -5.309 -5.239 -3.473 1.00 0.00 C ATOM 1490 CE1 PHE A 112 -3.614 -3.369 -4.565 1.00 0.00 C ATOM 1491 CE2 PHE A 112 -4.230 -4.703 -2.723 1.00 0.00 C ATOM 1492 CZ PHE A 112 -3.405 -3.779 -3.285 1.00 0.00 C ATOM 0 H PHE A 112 -5.925 -4.440 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 112 -5.474 -7.014 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.281 -4.587 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.324 -5.981 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.858 -3.581 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.965 -5.972 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.959 -2.635 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.064 -5.029 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.584 -3.371 -2.715 1.00 0.00 H new ATOM 1502 N ASN A 113 -7.869 -8.057 -6.394 1.00 0.00 N ATOM 1503 CA ASN A 113 -9.007 -8.895 -6.733 1.00 0.00 C ATOM 1504 C ASN A 113 -8.841 -9.421 -8.159 1.00 0.00 C ATOM 1505 O ASN A 113 -9.406 -8.865 -9.100 1.00 0.00 O ATOM 1506 CB ASN A 113 -10.313 -8.100 -6.670 1.00 0.00 C ATOM 1507 CG ASN A 113 -11.524 -9.033 -6.714 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -12.056 -9.450 -5.698 1.00 0.00 O ATOM 1509 ND2 ASN A 113 -11.929 -9.337 -7.944 1.00 0.00 N ATOM 0 H ASN A 113 -7.437 -8.268 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.049 -9.715 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -10.339 -7.508 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -10.358 -7.400 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -12.730 -9.954 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -11.438 -8.953 -8.752 1.00 0.00 H new TER 1516 ASN A 113