USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 13 CYS SG : rot -160:sc= 1.83 USER MOD Set 1.2: A 38 TYR OH : rot -141:sc= 1.36 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.194 (180deg=-0.796) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.366 (180deg=-0.408) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 1.1 (180deg=1.05) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.009 USER MOD Single : A 27 GLN : amide:sc= 0.532 K(o=0.53,f=-0.058) USER MOD Single : A 31 ASN : amide:sc= -0.497 K(o=-0.5,f=-1.7) USER MOD Single : A 35 ASN : amide:sc= 0.438 K(o=0.44,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 94:sc= 0.621 USER MOD Single : A 58 ASN : amide:sc= -0.587 K(o=-0.59,f=-0.00024) USER MOD Single : A 59 ASN : amide:sc= 0.132 K(o=0.13,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.796 19.413 5.587 1.00 0.00 N ATOM 2 CA MET A 1 -3.746 19.061 6.574 1.00 0.00 C ATOM 3 C MET A 1 -2.520 18.474 5.887 1.00 0.00 C ATOM 4 O MET A 1 -1.758 17.723 6.503 1.00 0.00 O ATOM 5 CB MET A 1 -4.290 18.047 7.585 1.00 0.00 C ATOM 6 CG MET A 1 -5.415 18.584 8.448 1.00 0.00 C ATOM 7 SD MET A 1 -6.077 17.336 9.570 1.00 0.00 S ATOM 8 CE MET A 1 -6.716 16.135 8.402 1.00 0.00 C ATOM 0 H1 MET A 1 -5.626 19.795 6.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.427 20.129 4.928 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.072 18.563 5.055 1.00 0.00 H new ATOM 0 HA MET A 1 -3.455 19.976 7.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.645 17.168 7.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.475 17.719 8.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.052 19.433 9.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.216 18.954 7.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.476 15.524 8.888 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.157 16.654 7.551 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.903 15.496 8.056 1.00 0.00 H new ATOM 20 N SER A 2 -2.326 18.821 4.613 1.00 0.00 N ATOM 21 CA SER A 2 -1.217 18.294 3.821 1.00 0.00 C ATOM 22 C SER A 2 -1.306 16.768 3.719 1.00 0.00 C ATOM 23 O SER A 2 -0.305 16.082 3.518 1.00 0.00 O ATOM 24 CB SER A 2 0.127 18.724 4.426 1.00 0.00 C ATOM 25 OG SER A 2 0.229 20.140 4.487 1.00 0.00 O ATOM 0 H SER A 2 -2.928 19.470 4.106 1.00 0.00 H new ATOM 0 HA SER A 2 -1.284 18.706 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.230 18.305 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.944 18.323 3.827 1.00 0.00 H new ATOM 0 HG SER A 2 1.093 20.389 4.877 1.00 0.00 H new ATOM 31 N LEU A 3 -2.526 16.260 3.841 1.00 0.00 N ATOM 32 CA LEU A 3 -2.781 14.827 3.863 1.00 0.00 C ATOM 33 C LEU A 3 -4.088 14.540 3.131 1.00 0.00 C ATOM 34 O LEU A 3 -4.948 15.415 3.038 1.00 0.00 O ATOM 35 CB LEU A 3 -2.859 14.335 5.314 1.00 0.00 C ATOM 36 CG LEU A 3 -3.062 12.829 5.495 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.866 12.063 4.957 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.293 12.500 6.962 1.00 0.00 C ATOM 0 H LEU A 3 -3.367 16.831 3.927 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.969 14.300 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.941 14.623 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.678 14.856 5.811 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.944 12.527 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.027 10.994 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.743 12.279 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.968 12.366 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.436 11.425 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.428 12.815 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.181 13.024 7.317 1.00 0.00 H new ATOM 50 N ASP A 4 -4.243 13.326 2.622 1.00 0.00 N ATOM 51 CA ASP A 4 -5.424 12.977 1.838 1.00 0.00 C ATOM 52 C ASP A 4 -6.278 11.928 2.551 1.00 0.00 C ATOM 53 O ASP A 4 -6.065 10.728 2.382 1.00 0.00 O ATOM 54 CB ASP A 4 -5.036 12.467 0.451 1.00 0.00 C ATOM 55 CG ASP A 4 -6.214 12.476 -0.499 1.00 0.00 C ATOM 56 OD1 ASP A 4 -7.071 11.578 -0.403 1.00 0.00 O ATOM 57 OD2 ASP A 4 -6.293 13.399 -1.345 1.00 0.00 O ATOM 0 H ASP A 4 -3.570 12.568 2.736 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.012 13.888 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.237 13.088 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.642 11.454 0.533 1.00 0.00 H new ATOM 62 N PRO A 5 -7.230 12.368 3.392 1.00 0.00 N ATOM 63 CA PRO A 5 -8.115 11.465 4.141 1.00 0.00 C ATOM 64 C PRO A 5 -9.141 10.762 3.246 1.00 0.00 C ATOM 65 O PRO A 5 -9.980 10.001 3.728 1.00 0.00 O ATOM 66 CB PRO A 5 -8.830 12.394 5.139 1.00 0.00 C ATOM 67 CG PRO A 5 -8.106 13.700 5.066 1.00 0.00 C ATOM 68 CD PRO A 5 -7.527 13.773 3.687 1.00 0.00 C ATOM 0 HA PRO A 5 -7.551 10.660 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.881 12.514 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.797 11.984 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.784 14.533 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.323 13.755 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.233 14.197 2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.631 14.392 3.656 1.00 0.00 H new ATOM 76 N GLN A 6 -9.070 11.019 1.944 1.00 0.00 N ATOM 77 CA GLN A 6 -9.968 10.385 0.989 1.00 0.00 C ATOM 78 C GLN A 6 -9.384 9.043 0.563 1.00 0.00 C ATOM 79 O GLN A 6 -10.080 8.025 0.553 1.00 0.00 O ATOM 80 CB GLN A 6 -10.187 11.309 -0.223 1.00 0.00 C ATOM 81 CG GLN A 6 -11.206 10.814 -1.248 1.00 0.00 C ATOM 82 CD GLN A 6 -10.602 9.927 -2.328 1.00 0.00 C ATOM 83 OE1 GLN A 6 -10.105 10.418 -3.341 1.00 0.00 O ATOM 84 NE2 GLN A 6 -10.676 8.619 -2.142 1.00 0.00 N ATOM 0 H GLN A 6 -8.398 11.663 1.527 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.938 10.210 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.507 12.286 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.231 11.453 -0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.990 10.260 -0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.682 11.674 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.095 8.248 -1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.314 7.982 -2.851 1.00 0.00 H new ATOM 93 N LEU A 7 -8.102 9.053 0.217 1.00 0.00 N ATOM 94 CA LEU A 7 -7.398 7.835 -0.161 1.00 0.00 C ATOM 95 C LEU A 7 -7.254 6.901 1.036 1.00 0.00 C ATOM 96 O LEU A 7 -7.203 5.679 0.882 1.00 0.00 O ATOM 97 CB LEU A 7 -6.015 8.172 -0.728 1.00 0.00 C ATOM 98 CG LEU A 7 -6.017 9.043 -1.985 1.00 0.00 C ATOM 99 CD1 LEU A 7 -4.592 9.365 -2.407 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.760 8.348 -3.117 1.00 0.00 C ATOM 0 H LEU A 7 -7.527 9.895 0.191 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.983 7.330 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.438 8.680 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.496 7.240 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.533 9.976 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.609 9.985 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.087 9.902 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.057 8.439 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.751 8.983 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.272 7.401 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.791 8.162 -2.815 1.00 0.00 H new ATOM 112 N LEU A 8 -7.197 7.483 2.226 1.00 0.00 N ATOM 113 CA LEU A 8 -7.034 6.707 3.446 1.00 0.00 C ATOM 114 C LEU A 8 -8.368 6.141 3.920 1.00 0.00 C ATOM 115 O LEU A 8 -9.207 6.862 4.458 1.00 0.00 O ATOM 116 CB LEU A 8 -6.411 7.567 4.551 1.00 0.00 C ATOM 117 CG LEU A 8 -5.036 8.154 4.227 1.00 0.00 C ATOM 118 CD1 LEU A 8 -4.543 9.011 5.383 1.00 0.00 C ATOM 119 CD2 LEU A 8 -4.040 7.045 3.921 1.00 0.00 C ATOM 0 H LEU A 8 -7.261 8.490 2.372 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.366 5.875 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.093 8.386 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.326 6.963 5.454 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.128 8.784 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.564 9.422 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.246 9.826 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.466 8.400 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.068 7.482 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.949 6.389 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.389 6.469 3.064 1.00 0.00 H new ATOM 131 N GLU A 9 -8.550 4.847 3.707 1.00 0.00 N ATOM 132 CA GLU A 9 -9.739 4.143 4.172 1.00 0.00 C ATOM 133 C GLU A 9 -9.347 3.029 5.134 1.00 0.00 C ATOM 134 O GLU A 9 -8.161 2.804 5.384 1.00 0.00 O ATOM 135 CB GLU A 9 -10.518 3.557 2.990 1.00 0.00 C ATOM 136 CG GLU A 9 -11.312 4.588 2.205 1.00 0.00 C ATOM 137 CD GLU A 9 -12.480 5.144 2.994 1.00 0.00 C ATOM 138 OE1 GLU A 9 -12.261 6.019 3.857 1.00 0.00 O ATOM 139 OE2 GLU A 9 -13.630 4.715 2.752 1.00 0.00 O ATOM 0 H GLU A 9 -7.883 4.256 3.210 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.378 4.857 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.819 3.061 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.200 2.792 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.652 5.405 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.682 4.134 1.286 1.00 0.00 H new ATOM 146 N VAL A 10 -10.344 2.339 5.674 1.00 0.00 N ATOM 147 CA VAL A 10 -10.096 1.206 6.554 1.00 0.00 C ATOM 148 C VAL A 10 -9.599 0.018 5.740 1.00 0.00 C ATOM 149 O VAL A 10 -10.377 -0.674 5.081 1.00 0.00 O ATOM 150 CB VAL A 10 -11.362 0.800 7.339 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.051 -0.323 8.320 1.00 0.00 C ATOM 152 CG2 VAL A 10 -11.948 2.000 8.066 1.00 0.00 C ATOM 0 H VAL A 10 -11.331 2.545 5.518 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.336 1.509 7.275 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.103 0.435 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.957 -0.593 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.682 -1.191 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.291 0.011 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.839 1.694 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.212 2.397 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.214 2.770 7.342 1.00 0.00 H new ATOM 162 N LEU A 11 -8.293 -0.189 5.764 1.00 0.00 N ATOM 163 CA LEU A 11 -7.673 -1.253 4.992 1.00 0.00 C ATOM 164 C LEU A 11 -7.131 -2.342 5.913 1.00 0.00 C ATOM 165 O LEU A 11 -6.318 -2.076 6.802 1.00 0.00 O ATOM 166 CB LEU A 11 -6.557 -0.675 4.120 1.00 0.00 C ATOM 167 CG LEU A 11 -7.014 0.408 3.134 1.00 0.00 C ATOM 168 CD1 LEU A 11 -5.825 1.038 2.431 1.00 0.00 C ATOM 169 CD2 LEU A 11 -7.988 -0.169 2.116 1.00 0.00 C ATOM 0 H LEU A 11 -7.639 0.369 6.313 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.425 -1.706 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.787 -0.256 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.094 -1.487 3.559 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.526 1.185 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.175 1.802 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.165 1.493 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.280 0.271 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.300 0.615 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.501 -0.969 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.862 -0.566 2.633 1.00 0.00 H new ATOM 181 N ALA A 12 -7.588 -3.567 5.697 1.00 0.00 N ATOM 182 CA ALA A 12 -7.196 -4.688 6.538 1.00 0.00 C ATOM 183 C ALA A 12 -6.797 -5.888 5.691 1.00 0.00 C ATOM 184 O ALA A 12 -7.217 -6.016 4.539 1.00 0.00 O ATOM 185 CB ALA A 12 -8.328 -5.060 7.485 1.00 0.00 C ATOM 0 H ALA A 12 -8.232 -3.810 4.944 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.331 -4.386 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.020 -5.900 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.567 -4.206 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.209 -5.340 6.907 1.00 0.00 H new ATOM 191 N CYS A 13 -5.968 -6.751 6.264 1.00 0.00 N ATOM 192 CA CYS A 13 -5.520 -7.964 5.588 1.00 0.00 C ATOM 193 C CYS A 13 -6.707 -8.868 5.261 1.00 0.00 C ATOM 194 O CYS A 13 -7.557 -9.114 6.112 1.00 0.00 O ATOM 195 CB CYS A 13 -4.511 -8.711 6.466 1.00 0.00 C ATOM 196 SG CYS A 13 -3.957 -10.297 5.787 1.00 0.00 S ATOM 0 H CYS A 13 -5.589 -6.632 7.203 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.036 -7.682 4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.641 -8.073 6.622 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.958 -8.885 7.445 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.464 -11.029 6.741 1.00 0.00 H new ATOM 202 N PRO A 14 -6.776 -9.376 4.021 1.00 0.00 N ATOM 203 CA PRO A 14 -7.876 -10.243 3.578 1.00 0.00 C ATOM 204 C PRO A 14 -7.977 -11.537 4.389 1.00 0.00 C ATOM 205 O PRO A 14 -9.068 -12.079 4.585 1.00 0.00 O ATOM 206 CB PRO A 14 -7.530 -10.557 2.115 1.00 0.00 C ATOM 207 CG PRO A 14 -6.077 -10.250 1.982 1.00 0.00 C ATOM 208 CD PRO A 14 -5.803 -9.131 2.945 1.00 0.00 C ATOM 0 HA PRO A 14 -8.842 -9.754 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.735 -11.601 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.125 -9.951 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.470 -11.124 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.832 -9.956 0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.778 -9.158 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.950 -8.155 2.482 1.00 0.00 H new ATOM 216 N LYS A 15 -6.837 -12.030 4.865 1.00 0.00 N ATOM 217 CA LYS A 15 -6.804 -13.272 5.625 1.00 0.00 C ATOM 218 C LYS A 15 -6.936 -13.004 7.120 1.00 0.00 C ATOM 219 O LYS A 15 -7.803 -13.566 7.785 1.00 0.00 O ATOM 220 CB LYS A 15 -5.503 -14.039 5.357 1.00 0.00 C ATOM 221 CG LYS A 15 -5.447 -15.386 6.069 1.00 0.00 C ATOM 222 CD LYS A 15 -4.082 -16.048 5.959 1.00 0.00 C ATOM 223 CE LYS A 15 -3.701 -16.344 4.517 1.00 0.00 C ATOM 224 NZ LYS A 15 -2.479 -17.188 4.433 1.00 0.00 N ATOM 0 H LYS A 15 -5.927 -11.588 4.737 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.650 -13.877 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.396 -14.197 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.657 -13.430 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.696 -15.248 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.203 -16.048 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.329 -15.399 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.083 -16.976 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.528 -16.850 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.534 -15.407 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.250 -17.369 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.684 -16.694 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.647 -18.092 4.919 1.00 0.00 H new ATOM 238 N ASP A 16 -6.078 -12.132 7.634 1.00 0.00 N ATOM 239 CA ASP A 16 -5.975 -11.908 9.076 1.00 0.00 C ATOM 240 C ASP A 16 -7.000 -10.892 9.576 1.00 0.00 C ATOM 241 O ASP A 16 -7.371 -10.906 10.749 1.00 0.00 O ATOM 242 CB ASP A 16 -4.558 -11.439 9.415 1.00 0.00 C ATOM 243 CG ASP A 16 -4.364 -11.133 10.887 1.00 0.00 C ATOM 244 OD1 ASP A 16 -4.198 -12.082 11.680 1.00 0.00 O ATOM 245 OD2 ASP A 16 -4.366 -9.944 11.254 1.00 0.00 O ATOM 0 H ASP A 16 -5.440 -11.565 7.075 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.187 -12.851 9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.846 -12.208 9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.329 -10.547 8.832 1.00 0.00 H new ATOM 250 N LYS A 17 -7.458 -10.025 8.676 1.00 0.00 N ATOM 251 CA LYS A 17 -8.382 -8.936 9.019 1.00 0.00 C ATOM 252 C LYS A 17 -7.721 -7.915 9.939 1.00 0.00 C ATOM 253 O LYS A 17 -8.394 -7.067 10.524 1.00 0.00 O ATOM 254 CB LYS A 17 -9.680 -9.457 9.656 1.00 0.00 C ATOM 255 CG LYS A 17 -10.755 -9.844 8.653 1.00 0.00 C ATOM 256 CD LYS A 17 -10.386 -11.081 7.856 1.00 0.00 C ATOM 257 CE LYS A 17 -11.514 -11.492 6.929 1.00 0.00 C ATOM 258 NZ LYS A 17 -11.238 -12.792 6.268 1.00 0.00 N ATOM 0 H LYS A 17 -7.202 -10.054 7.689 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.643 -8.445 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.446 -10.324 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.078 -8.691 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.692 -10.021 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.926 -9.013 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.485 -10.886 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.154 -11.900 8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.443 -11.562 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.660 -10.723 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.078 -13.097 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.435 -12.686 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.007 -13.506 6.988 1.00 0.00 H new ATOM 272 N GLY A 18 -6.402 -7.993 10.049 1.00 0.00 N ATOM 273 CA GLY A 18 -5.672 -7.041 10.853 1.00 0.00 C ATOM 274 C GLY A 18 -5.409 -5.753 10.105 1.00 0.00 C ATOM 275 O GLY A 18 -5.253 -5.770 8.879 1.00 0.00 O ATOM 0 H GLY A 18 -5.826 -8.701 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.236 -6.825 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.724 -7.480 11.164 1.00 0.00 H new ATOM 279 N PRO A 19 -5.367 -4.616 10.818 1.00 0.00 N ATOM 280 CA PRO A 19 -5.128 -3.304 10.211 1.00 0.00 C ATOM 281 C PRO A 19 -3.765 -3.227 9.534 1.00 0.00 C ATOM 282 O PRO A 19 -2.733 -3.521 10.145 1.00 0.00 O ATOM 283 CB PRO A 19 -5.192 -2.331 11.398 1.00 0.00 C ATOM 284 CG PRO A 19 -5.902 -3.076 12.475 1.00 0.00 C ATOM 285 CD PRO A 19 -5.552 -4.522 12.274 1.00 0.00 C ATOM 0 HA PRO A 19 -5.854 -3.081 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.193 -2.033 11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.727 -1.419 11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.588 -2.731 13.460 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.979 -2.922 12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.647 -4.797 12.815 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.346 -5.182 12.624 1.00 0.00 H new ATOM 293 N LEU A 20 -3.773 -2.845 8.265 1.00 0.00 N ATOM 294 CA LEU A 20 -2.547 -2.729 7.492 1.00 0.00 C ATOM 295 C LEU A 20 -1.900 -1.373 7.731 1.00 0.00 C ATOM 296 O LEU A 20 -2.593 -0.359 7.830 1.00 0.00 O ATOM 297 CB LEU A 20 -2.853 -2.903 6.001 1.00 0.00 C ATOM 298 CG LEU A 20 -3.492 -4.240 5.620 1.00 0.00 C ATOM 299 CD1 LEU A 20 -3.886 -4.250 4.152 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.544 -5.386 5.923 1.00 0.00 C ATOM 0 H LEU A 20 -4.620 -2.609 7.748 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.856 -3.510 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.517 -2.098 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.925 -2.789 5.440 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.395 -4.369 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.338 -5.210 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.603 -3.451 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.000 -4.096 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.014 -6.330 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.624 -5.258 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.312 -5.395 6.988 1.00 0.00 H new ATOM 312 N ARG A 21 -0.579 -1.352 7.836 1.00 0.00 N ATOM 313 CA ARG A 21 0.138 -0.098 7.997 1.00 0.00 C ATOM 314 C ARG A 21 0.387 0.517 6.626 1.00 0.00 C ATOM 315 O ARG A 21 0.965 -0.123 5.748 1.00 0.00 O ATOM 316 CB ARG A 21 1.456 -0.314 8.746 1.00 0.00 C ATOM 317 CG ARG A 21 2.169 0.983 9.092 1.00 0.00 C ATOM 318 CD ARG A 21 3.455 0.743 9.871 1.00 0.00 C ATOM 319 NE ARG A 21 3.219 0.078 11.155 1.00 0.00 N ATOM 320 CZ ARG A 21 3.061 0.720 12.316 1.00 0.00 C ATOM 321 NH1 ARG A 21 3.014 2.044 12.358 1.00 0.00 N ATOM 322 NH2 ARG A 21 2.926 0.027 13.440 1.00 0.00 N ATOM 0 H ARG A 21 0.013 -2.182 7.813 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.467 0.586 8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.258 -0.868 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.115 -0.932 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.398 1.526 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.503 1.616 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.132 0.135 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.953 1.697 10.046 1.00 0.00 H new ATOM 0 HE ARG A 21 3.172 -0.941 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.099 2.585 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.893 2.522 13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.943 -0.993 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.805 0.514 14.328 1.00 0.00 H new ATOM 336 N TYR A 22 -0.061 1.752 6.449 1.00 0.00 N ATOM 337 CA TYR A 22 -0.012 2.405 5.150 1.00 0.00 C ATOM 338 C TYR A 22 1.339 3.084 4.938 1.00 0.00 C ATOM 339 O TYR A 22 1.667 4.059 5.611 1.00 0.00 O ATOM 340 CB TYR A 22 -1.142 3.438 5.041 1.00 0.00 C ATOM 341 CG TYR A 22 -1.418 3.922 3.630 1.00 0.00 C ATOM 342 CD1 TYR A 22 -0.550 4.792 2.980 1.00 0.00 C ATOM 343 CD2 TYR A 22 -2.559 3.512 2.949 1.00 0.00 C ATOM 344 CE1 TYR A 22 -0.810 5.236 1.697 1.00 0.00 C ATOM 345 CE2 TYR A 22 -2.822 3.949 1.665 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.945 4.811 1.043 1.00 0.00 C ATOM 347 OH TYR A 22 -2.206 5.253 -0.236 1.00 0.00 O ATOM 0 H TYR A 22 -0.464 2.323 7.192 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.142 1.648 4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.055 3.003 5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.893 4.297 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.343 5.127 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.252 2.840 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.125 5.914 1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.712 3.616 1.151 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.045 4.858 -0.554 1.00 0.00 H new ATOM 357 N LEU A 23 2.123 2.545 4.017 1.00 0.00 N ATOM 358 CA LEU A 23 3.369 3.174 3.604 1.00 0.00 C ATOM 359 C LEU A 23 3.091 4.120 2.447 1.00 0.00 C ATOM 360 O LEU A 23 2.948 3.692 1.301 1.00 0.00 O ATOM 361 CB LEU A 23 4.419 2.126 3.197 1.00 0.00 C ATOM 362 CG LEU A 23 5.166 1.438 4.348 1.00 0.00 C ATOM 363 CD1 LEU A 23 5.895 2.465 5.202 1.00 0.00 C ATOM 364 CD2 LEU A 23 4.223 0.601 5.202 1.00 0.00 C ATOM 0 H LEU A 23 1.917 1.668 3.539 1.00 0.00 H new ATOM 0 HA LEU A 23 3.774 3.732 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.925 1.359 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.153 2.608 2.551 1.00 0.00 H new ATOM 0 HG LEU A 23 5.903 0.764 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.419 1.958 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.615 3.005 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.175 3.169 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.785 0.128 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.450 1.242 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.758 -0.167 4.584 1.00 0.00 H new ATOM 376 N GLU A 24 3.005 5.402 2.761 1.00 0.00 N ATOM 377 CA GLU A 24 2.583 6.413 1.801 1.00 0.00 C ATOM 378 C GLU A 24 3.599 6.552 0.674 1.00 0.00 C ATOM 379 O GLU A 24 3.235 6.638 -0.498 1.00 0.00 O ATOM 380 CB GLU A 24 2.397 7.753 2.515 1.00 0.00 C ATOM 381 CG GLU A 24 1.507 7.660 3.746 1.00 0.00 C ATOM 382 CD GLU A 24 1.439 8.958 4.526 1.00 0.00 C ATOM 383 OE1 GLU A 24 2.479 9.642 4.647 1.00 0.00 O ATOM 384 OE2 GLU A 24 0.350 9.294 5.036 1.00 0.00 O ATOM 0 H GLU A 24 3.225 5.772 3.686 1.00 0.00 H new ATOM 0 HA GLU A 24 1.635 6.103 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.373 8.139 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.967 8.472 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.501 7.373 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.879 6.870 4.398 1.00 0.00 H new ATOM 391 N SER A 25 4.870 6.537 1.043 1.00 0.00 N ATOM 392 CA SER A 25 5.962 6.756 0.103 1.00 0.00 C ATOM 393 C SER A 25 5.991 5.704 -1.010 1.00 0.00 C ATOM 394 O SER A 25 6.361 6.003 -2.146 1.00 0.00 O ATOM 395 CB SER A 25 7.283 6.740 0.868 1.00 0.00 C ATOM 396 OG SER A 25 7.194 7.539 2.038 1.00 0.00 O ATOM 0 H SER A 25 5.175 6.373 2.002 1.00 0.00 H new ATOM 0 HA SER A 25 5.808 7.723 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.540 5.716 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.084 7.111 0.228 1.00 0.00 H new ATOM 0 HG SER A 25 8.049 7.515 2.516 1.00 0.00 H new ATOM 402 N GLU A 26 5.588 4.480 -0.689 1.00 0.00 N ATOM 403 CA GLU A 26 5.701 3.379 -1.639 1.00 0.00 C ATOM 404 C GLU A 26 4.338 2.848 -2.067 1.00 0.00 C ATOM 405 O GLU A 26 4.262 1.935 -2.888 1.00 0.00 O ATOM 406 CB GLU A 26 6.522 2.244 -1.031 1.00 0.00 C ATOM 407 CG GLU A 26 7.947 2.641 -0.685 1.00 0.00 C ATOM 408 CD GLU A 26 8.708 3.175 -1.882 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.992 2.386 -2.811 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.033 4.380 -1.895 1.00 0.00 O ATOM 0 H GLU A 26 5.184 4.226 0.212 1.00 0.00 H new ATOM 0 HA GLU A 26 6.202 3.768 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.024 1.889 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.546 1.409 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.930 3.399 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.473 1.777 -0.280 1.00 0.00 H new ATOM 417 N GLN A 27 3.272 3.421 -1.512 1.00 0.00 N ATOM 418 CA GLN A 27 1.906 2.970 -1.803 1.00 0.00 C ATOM 419 C GLN A 27 1.726 1.508 -1.384 1.00 0.00 C ATOM 420 O GLN A 27 1.071 0.728 -2.077 1.00 0.00 O ATOM 421 CB GLN A 27 1.585 3.123 -3.297 1.00 0.00 C ATOM 422 CG GLN A 27 1.603 4.557 -3.805 1.00 0.00 C ATOM 423 CD GLN A 27 0.524 5.418 -3.181 1.00 0.00 C ATOM 424 OE1 GLN A 27 -0.606 5.468 -3.669 1.00 0.00 O ATOM 425 NE2 GLN A 27 0.870 6.129 -2.118 1.00 0.00 N ATOM 0 H GLN A 27 3.325 4.201 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 27 1.218 3.594 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.304 2.539 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.601 2.696 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.578 4.998 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.478 4.555 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.816 6.060 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.190 6.746 -1.674 1.00 0.00 H new ATOM 434 N LEU A 28 2.283 1.149 -0.233 1.00 0.00 N ATOM 435 CA LEU A 28 2.271 -0.238 0.215 1.00 0.00 C ATOM 436 C LEU A 28 1.510 -0.396 1.526 1.00 0.00 C ATOM 437 O LEU A 28 1.541 0.482 2.386 1.00 0.00 O ATOM 438 CB LEU A 28 3.701 -0.755 0.398 1.00 0.00 C ATOM 439 CG LEU A 28 4.545 -0.836 -0.875 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.946 -1.332 -0.547 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.882 -1.750 -1.896 1.00 0.00 C ATOM 0 H LEU A 28 2.747 1.796 0.404 1.00 0.00 H new ATOM 0 HA LEU A 28 1.765 -0.822 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.213 -0.109 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.654 -1.748 0.845 1.00 0.00 H new ATOM 0 HG LEU A 28 4.621 0.162 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.537 -1.385 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.421 -0.644 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.885 -2.323 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.496 -1.796 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.778 -2.750 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.897 -1.359 -2.149 1.00 0.00 H new ATOM 453 N LEU A 29 0.818 -1.516 1.652 1.00 0.00 N ATOM 454 CA LEU A 29 0.130 -1.876 2.881 1.00 0.00 C ATOM 455 C LEU A 29 0.827 -3.064 3.520 1.00 0.00 C ATOM 456 O LEU A 29 0.790 -4.170 2.986 1.00 0.00 O ATOM 457 CB LEU A 29 -1.327 -2.236 2.587 1.00 0.00 C ATOM 458 CG LEU A 29 -2.185 -1.098 2.036 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.554 -1.622 1.621 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.326 0.004 3.075 1.00 0.00 C ATOM 0 H LEU A 29 0.717 -2.202 0.904 1.00 0.00 H new ATOM 0 HA LEU A 29 0.153 -1.025 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.343 -3.059 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.786 -2.602 3.506 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.695 -0.682 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.155 -0.801 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.434 -2.383 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.054 -2.058 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.939 0.809 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.800 -0.399 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.340 0.392 3.330 1.00 0.00 H new ATOM 472 N VAL A 30 1.471 -2.843 4.649 1.00 0.00 N ATOM 473 CA VAL A 30 2.243 -3.898 5.287 1.00 0.00 C ATOM 474 C VAL A 30 1.575 -4.357 6.575 1.00 0.00 C ATOM 475 O VAL A 30 1.263 -3.544 7.448 1.00 0.00 O ATOM 476 CB VAL A 30 3.687 -3.440 5.591 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.489 -4.559 6.243 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.374 -2.962 4.322 1.00 0.00 C ATOM 0 H VAL A 30 1.477 -1.950 5.143 1.00 0.00 H new ATOM 0 HA VAL A 30 2.284 -4.732 4.587 1.00 0.00 H new ATOM 0 HB VAL A 30 3.636 -2.607 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.501 -4.210 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.011 -4.852 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.529 -5.417 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.390 -2.643 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.407 -3.776 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.819 -2.124 3.901 1.00 0.00 H new ATOM 488 N ASN A 31 1.334 -5.657 6.677 1.00 0.00 N ATOM 489 CA ASN A 31 0.786 -6.240 7.893 1.00 0.00 C ATOM 490 C ASN A 31 1.914 -6.822 8.732 1.00 0.00 C ATOM 491 O ASN A 31 2.571 -7.782 8.321 1.00 0.00 O ATOM 492 CB ASN A 31 -0.244 -7.328 7.564 1.00 0.00 C ATOM 493 CG ASN A 31 -0.816 -7.990 8.808 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.853 -7.399 9.885 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.272 -9.224 8.661 1.00 0.00 N ATOM 0 H ASN A 31 1.510 -6.329 5.930 1.00 0.00 H new ATOM 0 HA ASN A 31 0.280 -5.457 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.057 -6.890 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.223 -8.087 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.672 -9.718 9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.223 -9.681 7.750 1.00 0.00 H new ATOM 502 N GLU A 32 2.118 -6.257 9.911 1.00 0.00 N ATOM 503 CA GLU A 32 3.233 -6.640 10.770 1.00 0.00 C ATOM 504 C GLU A 32 3.014 -8.019 11.381 1.00 0.00 C ATOM 505 O GLU A 32 3.946 -8.637 11.898 1.00 0.00 O ATOM 506 CB GLU A 32 3.420 -5.598 11.872 1.00 0.00 C ATOM 507 CG GLU A 32 3.765 -4.220 11.335 1.00 0.00 C ATOM 508 CD GLU A 32 3.853 -3.175 12.424 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.937 -3.021 13.022 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.842 -2.487 12.670 1.00 0.00 O ATOM 0 H GLU A 32 1.522 -5.526 10.300 1.00 0.00 H new ATOM 0 HA GLU A 32 4.134 -6.685 10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.506 -5.533 12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.211 -5.928 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.717 -4.269 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.011 -3.919 10.608 1.00 0.00 H new ATOM 517 N ARG A 33 1.783 -8.503 11.317 1.00 0.00 N ATOM 518 CA ARG A 33 1.451 -9.811 11.864 1.00 0.00 C ATOM 519 C ARG A 33 1.940 -10.933 10.954 1.00 0.00 C ATOM 520 O ARG A 33 2.229 -12.032 11.420 1.00 0.00 O ATOM 521 CB ARG A 33 -0.056 -9.935 12.064 1.00 0.00 C ATOM 522 CG ARG A 33 -0.628 -8.915 13.030 1.00 0.00 C ATOM 523 CD ARG A 33 -2.135 -9.036 13.119 1.00 0.00 C ATOM 524 NE ARG A 33 -2.709 -8.084 14.064 1.00 0.00 N ATOM 525 CZ ARG A 33 -4.014 -7.905 14.232 1.00 0.00 C ATOM 526 NH1 ARG A 33 -4.882 -8.567 13.483 1.00 0.00 N ATOM 527 NH2 ARG A 33 -4.447 -7.039 15.135 1.00 0.00 N ATOM 0 H ARG A 33 0.997 -8.011 10.892 1.00 0.00 H new ATOM 0 HA ARG A 33 1.954 -9.904 12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.552 -9.827 11.099 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.284 -10.936 12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.189 -9.058 14.017 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.359 -7.910 12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.570 -8.874 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.399 -10.049 13.421 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.071 -7.523 14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.550 -9.219 12.772 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.883 -8.425 13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.779 -6.513 15.698 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.449 -6.898 15.267 1.00 0.00 H new ATOM 541 N LEU A 34 2.031 -10.651 9.656 1.00 0.00 N ATOM 542 CA LEU A 34 2.395 -11.680 8.680 1.00 0.00 C ATOM 543 C LEU A 34 3.666 -11.313 7.916 1.00 0.00 C ATOM 544 O LEU A 34 4.184 -12.123 7.149 1.00 0.00 O ATOM 545 CB LEU A 34 1.243 -11.912 7.693 1.00 0.00 C ATOM 546 CG LEU A 34 -0.077 -12.364 8.320 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.140 -12.548 7.247 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.113 -13.652 9.106 1.00 0.00 C ATOM 0 H LEU A 34 1.860 -9.728 9.257 1.00 0.00 H new ATOM 0 HA LEU A 34 2.589 -12.599 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.067 -10.988 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.556 -12.661 6.966 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.411 -11.589 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.073 -12.870 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.300 -11.603 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.810 -13.303 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.838 -13.955 9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.472 -14.436 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.842 -13.490 9.900 1.00 0.00 H new ATOM 560 N ASN A 35 4.155 -10.091 8.132 1.00 0.00 N ATOM 561 CA ASN A 35 5.361 -9.588 7.461 1.00 0.00 C ATOM 562 C ASN A 35 5.150 -9.566 5.944 1.00 0.00 C ATOM 563 O ASN A 35 6.083 -9.753 5.163 1.00 0.00 O ATOM 564 CB ASN A 35 6.583 -10.449 7.817 1.00 0.00 C ATOM 565 CG ASN A 35 7.897 -9.682 7.736 1.00 0.00 C ATOM 566 OD1 ASN A 35 8.396 -9.174 8.740 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.460 -9.584 6.544 1.00 0.00 N ATOM 0 H ASN A 35 3.730 -9.422 8.774 1.00 0.00 H new ATOM 0 HA ASN A 35 5.548 -8.571 7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.461 -10.844 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.626 -11.305 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.337 -9.074 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.018 -10.018 5.734 1.00 0.00 H new ATOM 574 N LEU A 36 3.915 -9.309 5.533 1.00 0.00 N ATOM 575 CA LEU A 36 3.558 -9.307 4.120 1.00 0.00 C ATOM 576 C LEU A 36 3.074 -7.926 3.697 1.00 0.00 C ATOM 577 O LEU A 36 2.459 -7.206 4.488 1.00 0.00 O ATOM 578 CB LEU A 36 2.467 -10.347 3.836 1.00 0.00 C ATOM 579 CG LEU A 36 2.864 -11.805 4.086 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.682 -12.725 3.836 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.034 -12.201 3.199 1.00 0.00 C ATOM 0 H LEU A 36 3.140 -9.098 6.162 1.00 0.00 H new ATOM 0 HA LEU A 36 4.448 -9.565 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.599 -10.114 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.156 -10.247 2.796 1.00 0.00 H new ATOM 0 HG LEU A 36 3.171 -11.903 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.980 -13.758 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.866 -12.459 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.351 -12.619 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.301 -13.240 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.752 -12.087 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.889 -11.560 3.417 1.00 0.00 H new ATOM 593 N ALA A 37 3.344 -7.565 2.452 1.00 0.00 N ATOM 594 CA ALA A 37 2.984 -6.254 1.948 1.00 0.00 C ATOM 595 C ALA A 37 2.093 -6.360 0.721 1.00 0.00 C ATOM 596 O ALA A 37 2.340 -7.173 -0.172 1.00 0.00 O ATOM 597 CB ALA A 37 4.234 -5.458 1.618 1.00 0.00 C ATOM 0 H ALA A 37 3.812 -8.165 1.773 1.00 0.00 H new ATOM 0 HA ALA A 37 2.425 -5.736 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.951 -4.476 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.839 -5.341 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.811 -5.986 0.859 1.00 0.00 H new ATOM 603 N TYR A 38 1.054 -5.543 0.697 1.00 0.00 N ATOM 604 CA TYR A 38 0.153 -5.461 -0.438 1.00 0.00 C ATOM 605 C TYR A 38 0.365 -4.130 -1.145 1.00 0.00 C ATOM 606 O TYR A 38 0.569 -3.107 -0.494 1.00 0.00 O ATOM 607 CB TYR A 38 -1.299 -5.572 0.030 1.00 0.00 C ATOM 608 CG TYR A 38 -1.578 -6.788 0.887 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.877 -8.017 0.315 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.546 -6.702 2.273 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.133 -9.125 1.098 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.801 -7.805 3.064 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.094 -9.014 2.472 1.00 0.00 C ATOM 614 OH TYR A 38 -2.344 -10.118 3.254 1.00 0.00 O ATOM 0 H TYR A 38 0.812 -4.917 1.465 1.00 0.00 H new ATOM 0 HA TYR A 38 0.361 -6.282 -1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.558 -4.676 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.951 -5.598 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.910 -8.108 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.318 -5.756 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.363 -10.074 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.771 -7.720 4.140 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.876 -9.853 4.033 1.00 0.00 H new ATOM 624 N ARG A 39 0.328 -4.140 -2.463 1.00 0.00 N ATOM 625 CA ARG A 39 0.580 -2.933 -3.236 1.00 0.00 C ATOM 626 C ARG A 39 -0.727 -2.266 -3.644 1.00 0.00 C ATOM 627 O ARG A 39 -1.714 -2.940 -3.932 1.00 0.00 O ATOM 628 CB ARG A 39 1.410 -3.262 -4.480 1.00 0.00 C ATOM 629 CG ARG A 39 0.800 -4.349 -5.354 1.00 0.00 C ATOM 630 CD ARG A 39 1.627 -4.604 -6.604 1.00 0.00 C ATOM 631 NE ARG A 39 2.985 -5.048 -6.295 1.00 0.00 N ATOM 632 CZ ARG A 39 3.403 -6.309 -6.420 1.00 0.00 C ATOM 633 NH1 ARG A 39 2.557 -7.267 -6.783 1.00 0.00 N ATOM 634 NH2 ARG A 39 4.672 -6.615 -6.182 1.00 0.00 N ATOM 0 H ARG A 39 0.126 -4.968 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 39 1.140 -2.240 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.532 -2.356 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.406 -3.575 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.716 -5.272 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.211 -4.059 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.132 -5.358 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.673 -3.691 -7.198 1.00 0.00 H new ATOM 0 HE ARG A 39 3.653 -4.352 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.580 -7.041 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.885 -8.228 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.329 -5.886 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.991 -7.579 -6.278 1.00 0.00 H new ATOM 648 N ILE A 40 -0.733 -0.945 -3.648 1.00 0.00 N ATOM 649 CA ILE A 40 -1.891 -0.187 -4.095 1.00 0.00 C ATOM 650 C ILE A 40 -1.596 0.478 -5.432 1.00 0.00 C ATOM 651 O ILE A 40 -0.578 1.158 -5.580 1.00 0.00 O ATOM 652 CB ILE A 40 -2.289 0.900 -3.074 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.542 0.274 -1.703 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.524 1.657 -3.552 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.867 1.288 -0.625 1.00 0.00 C ATOM 0 H ILE A 40 0.054 -0.371 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.719 -0.888 -4.197 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.466 1.609 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.365 -0.436 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.661 -0.293 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.790 2.419 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.311 2.132 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.355 0.961 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.035 0.773 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.035 1.983 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.766 1.838 -0.902 1.00 0.00 H new ATOM 667 N ASP A 41 -2.467 0.271 -6.406 1.00 0.00 N ATOM 668 CA ASP A 41 -2.304 0.907 -7.704 1.00 0.00 C ATOM 669 C ASP A 41 -3.512 1.790 -8.010 1.00 0.00 C ATOM 670 O ASP A 41 -4.530 1.311 -8.507 1.00 0.00 O ATOM 671 CB ASP A 41 -2.121 -0.142 -8.800 1.00 0.00 C ATOM 672 CG ASP A 41 -1.731 0.469 -10.131 1.00 0.00 C ATOM 673 OD1 ASP A 41 -0.517 0.640 -10.379 1.00 0.00 O ATOM 674 OD2 ASP A 41 -2.629 0.765 -10.945 1.00 0.00 O ATOM 0 H ASP A 41 -3.289 -0.328 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.410 1.530 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.355 -0.854 -8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.048 -0.703 -8.919 1.00 0.00 H new ATOM 679 N ASP A 42 -3.383 3.068 -7.653 1.00 0.00 N ATOM 680 CA ASP A 42 -4.405 4.095 -7.894 1.00 0.00 C ATOM 681 C ASP A 42 -5.806 3.608 -7.543 1.00 0.00 C ATOM 682 O ASP A 42 -6.612 3.285 -8.418 1.00 0.00 O ATOM 683 CB ASP A 42 -4.371 4.611 -9.337 1.00 0.00 C ATOM 684 CG ASP A 42 -5.333 5.767 -9.547 1.00 0.00 C ATOM 685 OD1 ASP A 42 -5.290 6.732 -8.757 1.00 0.00 O ATOM 686 OD2 ASP A 42 -6.148 5.712 -10.491 1.00 0.00 O ATOM 0 H ASP A 42 -2.554 3.428 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.161 4.924 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.359 4.931 -9.584 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.624 3.799 -10.019 1.00 0.00 H new ATOM 691 N GLY A 43 -6.072 3.516 -6.253 1.00 0.00 N ATOM 692 CA GLY A 43 -7.407 3.183 -5.793 1.00 0.00 C ATOM 693 C GLY A 43 -7.665 1.691 -5.734 1.00 0.00 C ATOM 694 O GLY A 43 -8.656 1.254 -5.152 1.00 0.00 O ATOM 0 H GLY A 43 -5.388 3.666 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.560 3.611 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.138 3.645 -6.456 1.00 0.00 H new ATOM 698 N ILE A 44 -6.780 0.904 -6.331 1.00 0.00 N ATOM 699 CA ILE A 44 -6.925 -0.543 -6.319 1.00 0.00 C ATOM 700 C ILE A 44 -5.891 -1.178 -5.395 1.00 0.00 C ATOM 701 O ILE A 44 -4.704 -1.242 -5.722 1.00 0.00 O ATOM 702 CB ILE A 44 -6.778 -1.152 -7.733 1.00 0.00 C ATOM 703 CG1 ILE A 44 -7.828 -0.565 -8.681 1.00 0.00 C ATOM 704 CG2 ILE A 44 -6.903 -2.673 -7.673 1.00 0.00 C ATOM 705 CD1 ILE A 44 -7.742 -1.107 -10.093 1.00 0.00 C ATOM 0 H ILE A 44 -5.957 1.243 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.930 -0.756 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.789 -0.901 -8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.821 -0.771 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.714 0.519 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.797 -3.087 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.121 -3.077 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.880 -2.942 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.516 -0.646 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.762 -0.878 -10.512 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.886 -2.187 -10.077 1.00 0.00 H new ATOM 717 N PRO A 45 -6.326 -1.622 -4.208 1.00 0.00 N ATOM 718 CA PRO A 45 -5.472 -2.323 -3.263 1.00 0.00 C ATOM 719 C PRO A 45 -5.346 -3.795 -3.628 1.00 0.00 C ATOM 720 O PRO A 45 -6.325 -4.541 -3.574 1.00 0.00 O ATOM 721 CB PRO A 45 -6.195 -2.162 -1.914 1.00 0.00 C ATOM 722 CG PRO A 45 -7.443 -1.380 -2.199 1.00 0.00 C ATOM 723 CD PRO A 45 -7.683 -1.476 -3.679 1.00 0.00 C ATOM 0 HA PRO A 45 -4.457 -1.927 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.435 -3.134 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.564 -1.640 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.289 -1.784 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.327 -0.341 -1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.312 -2.329 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.178 -0.586 -4.069 1.00 0.00 H new ATOM 731 N VAL A 46 -4.149 -4.206 -4.018 1.00 0.00 N ATOM 732 CA VAL A 46 -3.903 -5.593 -4.377 1.00 0.00 C ATOM 733 C VAL A 46 -3.820 -6.453 -3.122 1.00 0.00 C ATOM 734 O VAL A 46 -2.742 -6.664 -2.565 1.00 0.00 O ATOM 735 CB VAL A 46 -2.607 -5.740 -5.208 1.00 0.00 C ATOM 736 CG1 VAL A 46 -2.374 -7.186 -5.620 1.00 0.00 C ATOM 737 CG2 VAL A 46 -2.660 -4.834 -6.429 1.00 0.00 C ATOM 0 H VAL A 46 -3.333 -3.598 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.737 -5.933 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.767 -5.437 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.455 -7.255 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.287 -7.808 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.213 -7.532 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.742 -4.947 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.514 -5.108 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.762 -3.797 -6.109 1.00 0.00 H new ATOM 747 N LEU A 47 -4.969 -6.926 -2.672 1.00 0.00 N ATOM 748 CA LEU A 47 -5.047 -7.735 -1.470 1.00 0.00 C ATOM 749 C LEU A 47 -5.038 -9.211 -1.830 1.00 0.00 C ATOM 750 O LEU A 47 -5.757 -10.020 -1.244 1.00 0.00 O ATOM 751 CB LEU A 47 -6.304 -7.380 -0.676 1.00 0.00 C ATOM 752 CG LEU A 47 -6.385 -5.925 -0.207 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.704 -5.672 0.502 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.218 -5.595 0.712 1.00 0.00 C ATOM 0 H LEU A 47 -5.867 -6.761 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.177 -7.528 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.177 -7.596 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.360 -8.031 0.197 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.329 -5.277 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.747 -4.633 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.529 -5.871 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.784 -6.329 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.292 -4.557 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.245 -6.249 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.280 -5.742 0.176 1.00 0.00 H new ATOM 766 N LEU A 48 -4.206 -9.552 -2.798 1.00 0.00 N ATOM 767 CA LEU A 48 -4.044 -10.931 -3.222 1.00 0.00 C ATOM 768 C LEU A 48 -3.030 -11.624 -2.326 1.00 0.00 C ATOM 769 O LEU A 48 -1.930 -11.116 -2.111 1.00 0.00 O ATOM 770 CB LEU A 48 -3.597 -11.002 -4.687 1.00 0.00 C ATOM 771 CG LEU A 48 -4.693 -10.767 -5.734 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.835 -11.749 -5.540 1.00 0.00 C ATOM 773 CD2 LEU A 48 -5.207 -9.335 -5.690 1.00 0.00 C ATOM 0 H LEU A 48 -3.627 -8.886 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.005 -11.439 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.809 -10.265 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.156 -11.983 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.253 -10.932 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.603 -11.567 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.461 -12.767 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.262 -11.618 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.982 -9.203 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.622 -9.127 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.385 -8.647 -5.890 1.00 0.00 H new ATOM 785 N ILE A 49 -3.396 -12.791 -1.816 1.00 0.00 N ATOM 786 CA ILE A 49 -2.580 -13.482 -0.828 1.00 0.00 C ATOM 787 C ILE A 49 -1.395 -14.184 -1.490 1.00 0.00 C ATOM 788 O ILE A 49 -0.302 -14.254 -0.923 1.00 0.00 O ATOM 789 CB ILE A 49 -3.424 -14.508 -0.039 1.00 0.00 C ATOM 790 CG1 ILE A 49 -4.660 -13.822 0.547 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.597 -15.144 1.071 1.00 0.00 C ATOM 792 CD1 ILE A 49 -5.597 -14.760 1.279 1.00 0.00 C ATOM 0 H ILE A 49 -4.254 -13.280 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.198 -12.733 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.743 -15.296 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.337 -13.039 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.208 -13.334 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.210 -15.863 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.737 -15.654 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.252 -14.370 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.447 -14.197 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.952 -15.529 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.067 -15.230 2.108 1.00 0.00 H new ATOM 804 N ASP A 50 -1.610 -14.684 -2.699 1.00 0.00 N ATOM 805 CA ASP A 50 -0.556 -15.378 -3.434 1.00 0.00 C ATOM 806 C ASP A 50 0.388 -14.380 -4.100 1.00 0.00 C ATOM 807 O ASP A 50 1.572 -14.660 -4.306 1.00 0.00 O ATOM 808 CB ASP A 50 -1.161 -16.319 -4.484 1.00 0.00 C ATOM 809 CG ASP A 50 -0.106 -17.041 -5.301 1.00 0.00 C ATOM 810 OD1 ASP A 50 0.591 -17.917 -4.741 1.00 0.00 O ATOM 811 OD2 ASP A 50 0.035 -16.740 -6.504 1.00 0.00 O ATOM 0 H ASP A 50 -2.501 -14.624 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 50 0.018 -15.972 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.794 -17.053 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.803 -15.746 -5.153 1.00 0.00 H new ATOM 816 N GLU A 51 -0.136 -13.205 -4.414 1.00 0.00 N ATOM 817 CA GLU A 51 0.646 -12.174 -5.080 1.00 0.00 C ATOM 818 C GLU A 51 1.400 -11.322 -4.057 1.00 0.00 C ATOM 819 O GLU A 51 2.372 -10.646 -4.397 1.00 0.00 O ATOM 820 CB GLU A 51 -0.263 -11.296 -5.942 1.00 0.00 C ATOM 821 CG GLU A 51 0.490 -10.383 -6.893 1.00 0.00 C ATOM 822 CD GLU A 51 -0.434 -9.606 -7.805 1.00 0.00 C ATOM 823 OE1 GLU A 51 -1.274 -10.239 -8.484 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.311 -8.365 -7.872 1.00 0.00 O ATOM 0 H GLU A 51 -1.102 -12.941 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 51 1.379 -12.658 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.930 -11.936 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.890 -10.688 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.097 -9.685 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.175 -10.978 -7.497 1.00 0.00 H new ATOM 831 N ALA A 52 0.954 -11.372 -2.806 1.00 0.00 N ATOM 832 CA ALA A 52 1.588 -10.615 -1.731 1.00 0.00 C ATOM 833 C ALA A 52 3.047 -11.025 -1.558 1.00 0.00 C ATOM 834 O ALA A 52 3.404 -12.191 -1.737 1.00 0.00 O ATOM 835 CB ALA A 52 0.832 -10.816 -0.427 1.00 0.00 C ATOM 0 H ALA A 52 0.153 -11.931 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 52 1.559 -9.559 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.316 -10.246 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.196 -10.473 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.833 -11.874 -0.165 1.00 0.00 H new ATOM 841 N THR A 53 3.883 -10.064 -1.209 1.00 0.00 N ATOM 842 CA THR A 53 5.301 -10.314 -1.032 1.00 0.00 C ATOM 843 C THR A 53 5.727 -9.912 0.368 1.00 0.00 C ATOM 844 O THR A 53 5.208 -8.939 0.916 1.00 0.00 O ATOM 845 CB THR A 53 6.133 -9.527 -2.063 1.00 0.00 C ATOM 846 OG1 THR A 53 5.691 -8.164 -2.110 1.00 0.00 O ATOM 847 CG2 THR A 53 6.021 -10.158 -3.442 1.00 0.00 C ATOM 0 H THR A 53 3.602 -9.098 -1.042 1.00 0.00 H new ATOM 0 HA THR A 53 5.477 -11.379 -1.180 1.00 0.00 H new ATOM 0 HB THR A 53 7.179 -9.555 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.225 -7.669 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.616 -9.586 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.388 -11.184 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.978 -10.158 -3.759 1.00 0.00 H new ATOM 855 N GLU A 54 6.643 -10.664 0.959 1.00 0.00 N ATOM 856 CA GLU A 54 7.156 -10.321 2.276 1.00 0.00 C ATOM 857 C GLU A 54 8.114 -9.135 2.177 1.00 0.00 C ATOM 858 O GLU A 54 9.083 -9.163 1.419 1.00 0.00 O ATOM 859 CB GLU A 54 7.828 -11.537 2.933 1.00 0.00 C ATOM 860 CG GLU A 54 8.861 -12.236 2.061 1.00 0.00 C ATOM 861 CD GLU A 54 9.323 -13.556 2.648 1.00 0.00 C ATOM 862 OE1 GLU A 54 10.263 -13.559 3.467 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.749 -14.607 2.283 1.00 0.00 O ATOM 0 H GLU A 54 7.044 -11.509 0.552 1.00 0.00 H new ATOM 0 HA GLU A 54 6.322 -10.027 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.309 -11.215 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.057 -12.257 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.438 -12.411 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.722 -11.581 1.928 1.00 0.00 H new ATOM 870 N TRP A 55 7.820 -8.091 2.935 1.00 0.00 N ATOM 871 CA TRP A 55 8.586 -6.857 2.875 1.00 0.00 C ATOM 872 C TRP A 55 9.369 -6.660 4.160 1.00 0.00 C ATOM 873 O TRP A 55 8.790 -6.622 5.244 1.00 0.00 O ATOM 874 CB TRP A 55 7.650 -5.668 2.631 1.00 0.00 C ATOM 875 CG TRP A 55 8.326 -4.334 2.721 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.300 -3.482 3.784 1.00 0.00 C ATOM 877 CD2 TRP A 55 9.122 -3.698 1.716 1.00 0.00 C ATOM 878 NE1 TRP A 55 9.037 -2.360 3.508 1.00 0.00 N ATOM 879 CE2 TRP A 55 9.548 -2.464 2.242 1.00 0.00 C ATOM 880 CE3 TRP A 55 9.517 -4.050 0.420 1.00 0.00 C ATOM 881 CZ2 TRP A 55 10.347 -1.587 1.521 1.00 0.00 C ATOM 882 CZ3 TRP A 55 10.308 -3.175 -0.294 1.00 0.00 C ATOM 883 CH2 TRP A 55 10.717 -1.955 0.258 1.00 0.00 C ATOM 0 H TRP A 55 7.050 -8.074 3.604 1.00 0.00 H new ATOM 0 HA TRP A 55 9.292 -6.921 2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 55 7.199 -5.770 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.838 -5.702 3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.775 -3.664 4.710 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.181 -1.575 4.143 1.00 0.00 H new ATOM 0 HE3 TRP A 55 9.208 -4.990 -0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.665 -0.646 1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 10.617 -3.435 -1.296 1.00 0.00 H new ATOM 0 HH2 TRP A 55 11.337 -1.291 -0.326 1.00 0.00 H new ATOM 894 N THR A 56 10.682 -6.533 4.017 1.00 0.00 N ATOM 895 CA THR A 56 11.583 -6.366 5.149 1.00 0.00 C ATOM 896 C THR A 56 11.443 -7.523 6.144 1.00 0.00 C ATOM 897 O THR A 56 10.637 -7.472 7.074 1.00 0.00 O ATOM 898 CB THR A 56 11.343 -5.021 5.860 1.00 0.00 C ATOM 899 OG1 THR A 56 11.432 -3.947 4.909 1.00 0.00 O ATOM 900 CG2 THR A 56 12.355 -4.798 6.976 1.00 0.00 C ATOM 0 H THR A 56 11.152 -6.543 3.112 1.00 0.00 H new ATOM 0 HA THR A 56 12.600 -6.370 4.757 1.00 0.00 H new ATOM 0 HB THR A 56 10.346 -5.044 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.536 -3.730 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.159 -3.840 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.269 -5.599 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.362 -4.795 6.559 1.00 0.00 H new ATOM 908 N PRO A 57 12.205 -8.608 5.931 1.00 0.00 N ATOM 909 CA PRO A 57 12.176 -9.774 6.813 1.00 0.00 C ATOM 910 C PRO A 57 12.715 -9.449 8.202 1.00 0.00 C ATOM 911 O PRO A 57 13.920 -9.549 8.455 1.00 0.00 O ATOM 912 CB PRO A 57 13.077 -10.799 6.109 1.00 0.00 C ATOM 913 CG PRO A 57 13.251 -10.284 4.721 1.00 0.00 C ATOM 914 CD PRO A 57 13.141 -8.791 4.815 1.00 0.00 C ATOM 0 HA PRO A 57 11.161 -10.137 6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.037 -10.893 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.620 -11.788 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.218 -10.579 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.489 -10.690 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.106 -8.325 5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.761 -8.354 3.892 1.00 0.00 H new ATOM 922 N ASN A 58 11.817 -9.021 9.084 1.00 0.00 N ATOM 923 CA ASN A 58 12.183 -8.689 10.454 1.00 0.00 C ATOM 924 C ASN A 58 12.512 -9.956 11.218 1.00 0.00 C ATOM 925 O ASN A 58 13.441 -10.005 12.027 1.00 0.00 O ATOM 926 CB ASN A 58 11.039 -7.940 11.150 1.00 0.00 C ATOM 927 CG ASN A 58 11.416 -7.428 12.532 1.00 0.00 C ATOM 928 OD1 ASN A 58 10.617 -7.494 13.466 1.00 0.00 O ATOM 929 ND2 ASN A 58 12.612 -6.876 12.662 1.00 0.00 N ATOM 0 H ASN A 58 10.827 -8.896 8.872 1.00 0.00 H new ATOM 0 HA ASN A 58 13.060 -8.042 10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.732 -7.099 10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.178 -8.603 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.899 -6.486 13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.247 -6.840 11.864 1.00 0.00 H new ATOM 936 N ASN A 59 11.751 -10.979 10.918 1.00 0.00 N ATOM 937 CA ASN A 59 11.893 -12.277 11.560 1.00 0.00 C ATOM 938 C ASN A 59 12.371 -13.319 10.555 1.00 0.00 C ATOM 939 O ASN A 59 12.030 -13.264 9.371 1.00 0.00 O ATOM 940 CB ASN A 59 10.556 -12.724 12.177 1.00 0.00 C ATOM 941 CG ASN A 59 9.481 -13.027 11.137 1.00 0.00 C ATOM 942 OD1 ASN A 59 9.444 -12.434 10.057 1.00 0.00 O ATOM 943 ND2 ASN A 59 8.600 -13.964 11.454 1.00 0.00 N ATOM 0 H ASN A 59 11.009 -10.942 10.219 1.00 0.00 H new ATOM 0 HA ASN A 59 12.634 -12.184 12.354 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.724 -13.613 12.785 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.194 -11.944 12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.862 -14.214 10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.659 -14.435 12.357 1.00 0.00 H new ATOM 950 N LEU A 60 13.172 -14.259 11.026 1.00 0.00 N ATOM 951 CA LEU A 60 13.613 -15.366 10.190 1.00 0.00 C ATOM 952 C LEU A 60 12.774 -16.598 10.503 1.00 0.00 C ATOM 953 O LEU A 60 11.998 -16.586 11.459 1.00 0.00 O ATOM 954 CB LEU A 60 15.107 -15.672 10.392 1.00 0.00 C ATOM 955 CG LEU A 60 15.488 -16.414 11.683 1.00 0.00 C ATOM 956 CD1 LEU A 60 16.924 -16.904 11.603 1.00 0.00 C ATOM 957 CD2 LEU A 60 15.316 -15.532 12.913 1.00 0.00 C ATOM 0 H LEU A 60 13.531 -14.280 11.981 1.00 0.00 H new ATOM 0 HA LEU A 60 13.479 -15.083 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 15.451 -16.264 9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.655 -14.730 10.366 1.00 0.00 H new ATOM 0 HG LEU A 60 14.815 -17.266 11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 60 17.182 -17.428 12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 17.030 -17.583 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 60 17.592 -16.053 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.595 -16.093 13.805 1.00 0.00 H new ATOM 0 HD22 LEU A 60 15.954 -14.653 12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.275 -15.218 12.993 1.00 0.00 H new ATOM 969 N GLU A 61 12.936 -17.643 9.696 1.00 0.00 N ATOM 970 CA GLU A 61 12.182 -18.885 9.859 1.00 0.00 C ATOM 971 C GLU A 61 10.686 -18.658 9.671 1.00 0.00 C ATOM 972 O GLU A 61 9.957 -18.338 10.609 1.00 0.00 O ATOM 973 CB GLU A 61 12.470 -19.536 11.218 1.00 0.00 C ATOM 974 CG GLU A 61 13.875 -20.101 11.330 1.00 0.00 C ATOM 975 CD GLU A 61 14.144 -21.166 10.288 1.00 0.00 C ATOM 976 OE1 GLU A 61 13.612 -22.288 10.434 1.00 0.00 O ATOM 977 OE2 GLU A 61 14.884 -20.889 9.318 1.00 0.00 O ATOM 0 H GLU A 61 13.590 -17.654 8.914 1.00 0.00 H new ATOM 0 HA GLU A 61 12.514 -19.572 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.319 -18.798 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.750 -20.336 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.600 -19.294 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.018 -20.523 12.325 1.00 0.00 H new TER 984 GLU A 61