USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.0912 USER MOD Single : A 12 CYS SG : rot 180:sc= -2.06 USER MOD Single : A 14 THR OG1 : rot 75:sc= 0.00527 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -160:sc= -1.09 (180deg=-1.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.39 K(o=-0.39,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -90:sc= 1.01 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-0.42) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.422 8.504 -10.836 1.00 0.00 N ATOM 2 CA GLY A 1 -9.699 8.449 -11.528 1.00 0.00 C ATOM 3 C GLY A 1 -10.751 9.292 -10.805 1.00 0.00 C ATOM 4 O GLY A 1 -10.922 10.471 -11.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.725 7.924 -11.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.090 9.489 -10.797 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.535 8.138 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.579 8.809 -12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.038 7.415 -11.592 1.00 0.00 H new ATOM 8 N SER A 2 -11.429 8.653 -9.862 1.00 0.00 N ATOM 9 CA SER A 2 -12.460 9.330 -9.094 1.00 0.00 C ATOM 10 C SER A 2 -12.915 8.442 -7.934 1.00 0.00 C ATOM 11 O SER A 2 -12.873 7.216 -8.032 1.00 0.00 O ATOM 12 CB SER A 2 -13.652 9.700 -9.978 1.00 0.00 C ATOM 13 OG SER A 2 -14.178 10.984 -9.654 1.00 0.00 O ATOM 0 H SER A 2 -11.284 7.675 -9.613 1.00 0.00 H new ATOM 0 HA SER A 2 -12.039 10.253 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.346 9.687 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.434 8.949 -9.866 1.00 0.00 H new ATOM 0 HG SER A 2 -14.936 11.185 -10.241 1.00 0.00 H new ATOM 19 N SER A 3 -13.338 9.095 -6.861 1.00 0.00 N ATOM 20 CA SER A 3 -13.800 8.380 -5.684 1.00 0.00 C ATOM 21 C SER A 3 -15.329 8.339 -5.663 1.00 0.00 C ATOM 22 O SER A 3 -15.985 9.282 -6.104 1.00 0.00 O ATOM 23 CB SER A 3 -13.269 9.027 -4.403 1.00 0.00 C ATOM 24 OG SER A 3 -13.631 8.286 -3.241 1.00 0.00 O ATOM 0 H SER A 3 -13.370 10.111 -6.783 1.00 0.00 H new ATOM 0 HA SER A 3 -13.416 7.361 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.183 9.105 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.658 10.042 -4.321 1.00 0.00 H new ATOM 0 HG SER A 3 -13.272 8.730 -2.445 1.00 0.00 H new ATOM 30 N GLY A 4 -15.853 7.237 -5.147 1.00 0.00 N ATOM 31 CA GLY A 4 -17.293 7.061 -5.063 1.00 0.00 C ATOM 32 C GLY A 4 -17.648 5.844 -4.206 1.00 0.00 C ATOM 33 O GLY A 4 -16.889 5.465 -3.316 1.00 0.00 O ATOM 0 H GLY A 4 -15.306 6.457 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.748 7.955 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.707 6.939 -6.064 1.00 0.00 H new ATOM 37 N SER A 5 -18.801 5.265 -4.506 1.00 0.00 N ATOM 38 CA SER A 5 -19.266 4.099 -3.774 1.00 0.00 C ATOM 39 C SER A 5 -18.253 2.959 -3.909 1.00 0.00 C ATOM 40 O SER A 5 -17.746 2.454 -2.909 1.00 0.00 O ATOM 41 CB SER A 5 -20.641 3.648 -4.271 1.00 0.00 C ATOM 42 OG SER A 5 -21.503 3.282 -3.197 1.00 0.00 O ATOM 0 H SER A 5 -19.427 5.582 -5.246 1.00 0.00 H new ATOM 0 HA SER A 5 -19.361 4.371 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.100 4.452 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.522 2.800 -4.946 1.00 0.00 H new ATOM 0 HG SER A 5 -22.371 3.002 -3.555 1.00 0.00 H new ATOM 48 N SER A 6 -17.990 2.589 -5.153 1.00 0.00 N ATOM 49 CA SER A 6 -17.047 1.518 -5.432 1.00 0.00 C ATOM 50 C SER A 6 -15.702 1.821 -4.769 1.00 0.00 C ATOM 51 O SER A 6 -15.116 2.877 -4.999 1.00 0.00 O ATOM 52 CB SER A 6 -16.865 1.323 -6.938 1.00 0.00 C ATOM 53 OG SER A 6 -16.540 2.543 -7.599 1.00 0.00 O ATOM 0 H SER A 6 -18.413 3.011 -5.980 1.00 0.00 H new ATOM 0 HA SER A 6 -17.448 0.592 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.076 0.593 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.781 0.913 -7.364 1.00 0.00 H new ATOM 0 HG SER A 6 -15.923 3.062 -7.043 1.00 0.00 H new ATOM 59 N GLY A 7 -15.251 0.873 -3.959 1.00 0.00 N ATOM 60 CA GLY A 7 -13.986 1.025 -3.261 1.00 0.00 C ATOM 61 C GLY A 7 -13.042 -0.136 -3.579 1.00 0.00 C ATOM 62 O GLY A 7 -13.361 -0.994 -4.401 1.00 0.00 O ATOM 0 H GLY A 7 -15.739 -0.003 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.519 1.967 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.163 1.071 -2.186 1.00 0.00 H new ATOM 66 N PRO A 8 -11.868 -0.127 -2.893 1.00 0.00 N ATOM 67 CA PRO A 8 -10.875 -1.169 -3.093 1.00 0.00 C ATOM 68 C PRO A 8 -11.302 -2.471 -2.413 1.00 0.00 C ATOM 69 O PRO A 8 -12.297 -2.501 -1.690 1.00 0.00 O ATOM 70 CB PRO A 8 -9.585 -0.598 -2.527 1.00 0.00 C ATOM 71 CG PRO A 8 -10.000 0.546 -1.616 1.00 0.00 C ATOM 72 CD PRO A 8 -11.455 0.872 -1.912 1.00 0.00 C ATOM 0 HA PRO A 8 -10.750 -1.435 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.032 -1.357 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.931 -0.245 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.877 0.265 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.370 1.419 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.064 0.816 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.562 1.882 -2.307 1.00 0.00 H new ATOM 80 N PRO A 9 -10.509 -3.544 -2.675 1.00 0.00 N ATOM 81 CA PRO A 9 -10.794 -4.846 -2.097 1.00 0.00 C ATOM 82 C PRO A 9 -10.413 -4.883 -0.615 1.00 0.00 C ATOM 83 O PRO A 9 -9.518 -4.158 -0.182 1.00 0.00 O ATOM 84 CB PRO A 9 -10.002 -5.833 -2.938 1.00 0.00 C ATOM 85 CG PRO A 9 -8.944 -5.012 -3.658 1.00 0.00 C ATOM 86 CD PRO A 9 -9.323 -3.546 -3.527 1.00 0.00 C ATOM 0 HA PRO A 9 -11.856 -5.091 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.543 -6.599 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.648 -6.347 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.960 -5.192 -3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.887 -5.299 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.515 -2.966 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.534 -3.103 -4.500 1.00 0.00 H new ATOM 94 N GLU A 10 -11.112 -5.734 0.121 1.00 0.00 N ATOM 95 CA GLU A 10 -10.858 -5.875 1.545 1.00 0.00 C ATOM 96 C GLU A 10 -9.757 -6.910 1.788 1.00 0.00 C ATOM 97 O GLU A 10 -8.715 -6.590 2.358 1.00 0.00 O ATOM 98 CB GLU A 10 -12.138 -6.249 2.296 1.00 0.00 C ATOM 99 CG GLU A 10 -12.563 -5.128 3.246 1.00 0.00 C ATOM 100 CD GLU A 10 -13.074 -5.697 4.571 1.00 0.00 C ATOM 101 OE1 GLU A 10 -14.060 -6.464 4.517 1.00 0.00 O ATOM 102 OE2 GLU A 10 -12.468 -5.352 5.608 1.00 0.00 O ATOM 0 H GLU A 10 -11.854 -6.333 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.518 -4.914 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.937 -6.449 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.978 -7.168 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.718 -4.465 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.343 -4.527 2.779 1.00 0.00 H new ATOM 109 N ASP A 11 -10.027 -8.129 1.345 1.00 0.00 N ATOM 110 CA ASP A 11 -9.073 -9.212 1.507 1.00 0.00 C ATOM 111 C ASP A 11 -7.668 -8.703 1.176 1.00 0.00 C ATOM 112 O ASP A 11 -6.739 -8.880 1.961 1.00 0.00 O ATOM 113 CB ASP A 11 -9.390 -10.372 0.562 1.00 0.00 C ATOM 114 CG ASP A 11 -10.548 -11.270 1.005 1.00 0.00 C ATOM 115 OD1 ASP A 11 -10.373 -11.951 2.038 1.00 0.00 O ATOM 116 OD2 ASP A 11 -11.580 -11.253 0.301 1.00 0.00 O ATOM 0 H ASP A 11 -10.893 -8.390 0.874 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.132 -9.561 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.621 -9.966 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.496 -10.986 0.452 1.00 0.00 H new ATOM 121 N CYS A 12 -7.559 -8.081 0.011 1.00 0.00 N ATOM 122 CA CYS A 12 -6.284 -7.545 -0.434 1.00 0.00 C ATOM 123 C CYS A 12 -5.684 -6.722 0.707 1.00 0.00 C ATOM 124 O CYS A 12 -4.570 -6.991 1.153 1.00 0.00 O ATOM 125 CB CYS A 12 -6.432 -6.722 -1.715 1.00 0.00 C ATOM 126 SG CYS A 12 -7.070 -7.777 -3.067 1.00 0.00 S ATOM 0 H CYS A 12 -8.333 -7.936 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.610 -8.364 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.111 -5.886 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.469 -6.298 -1.998 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.194 -7.068 -4.149 1.00 0.00 H new ATOM 132 N VAL A 13 -6.450 -5.734 1.148 1.00 0.00 N ATOM 133 CA VAL A 13 -6.008 -4.870 2.229 1.00 0.00 C ATOM 134 C VAL A 13 -5.626 -5.727 3.438 1.00 0.00 C ATOM 135 O VAL A 13 -4.534 -5.584 3.985 1.00 0.00 O ATOM 136 CB VAL A 13 -7.089 -3.835 2.547 1.00 0.00 C ATOM 137 CG1 VAL A 13 -6.833 -3.174 3.903 1.00 0.00 C ATOM 138 CG2 VAL A 13 -7.190 -2.788 1.436 1.00 0.00 C ATOM 0 H VAL A 13 -7.374 -5.513 0.776 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.120 -4.312 1.933 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.045 -4.356 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.616 -2.443 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.836 -3.934 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.865 -2.674 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.966 -2.065 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.234 -2.274 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.442 -3.278 0.496 1.00 0.00 H new ATOM 148 N THR A 14 -6.548 -6.598 3.820 1.00 0.00 N ATOM 149 CA THR A 14 -6.322 -7.478 4.954 1.00 0.00 C ATOM 150 C THR A 14 -4.924 -8.096 4.880 1.00 0.00 C ATOM 151 O THR A 14 -4.084 -7.845 5.743 1.00 0.00 O ATOM 152 CB THR A 14 -7.445 -8.517 4.977 1.00 0.00 C ATOM 153 OG1 THR A 14 -8.596 -7.776 5.372 1.00 0.00 O ATOM 154 CG2 THR A 14 -7.265 -9.549 6.093 1.00 0.00 C ATOM 0 H THR A 14 -7.453 -6.713 3.364 1.00 0.00 H new ATOM 0 HA THR A 14 -6.350 -6.927 5.894 1.00 0.00 H new ATOM 0 HB THR A 14 -7.487 -9.027 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.912 -7.236 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.088 -10.263 6.065 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.322 -10.077 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.256 -9.043 7.058 1.00 0.00 H new ATOM 162 N THR A 15 -4.718 -8.891 3.840 1.00 0.00 N ATOM 163 CA THR A 15 -3.437 -9.546 3.642 1.00 0.00 C ATOM 164 C THR A 15 -2.292 -8.606 4.024 1.00 0.00 C ATOM 165 O THR A 15 -1.395 -8.987 4.774 1.00 0.00 O ATOM 166 CB THR A 15 -3.370 -10.026 2.191 1.00 0.00 C ATOM 167 OG1 THR A 15 -4.283 -11.119 2.144 1.00 0.00 O ATOM 168 CG2 THR A 15 -2.019 -10.654 1.843 1.00 0.00 C ATOM 0 H THR A 15 -5.417 -9.096 3.126 1.00 0.00 H new ATOM 0 HA THR A 15 -3.333 -10.415 4.292 1.00 0.00 H new ATOM 0 HB THR A 15 -3.563 -9.187 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.303 -11.489 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.025 -10.977 0.802 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.228 -9.919 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.840 -11.514 2.489 1.00 0.00 H new ATOM 176 N ILE A 16 -2.361 -7.395 3.491 1.00 0.00 N ATOM 177 CA ILE A 16 -1.341 -6.397 3.767 1.00 0.00 C ATOM 178 C ILE A 16 -1.283 -6.137 5.273 1.00 0.00 C ATOM 179 O ILE A 16 -0.336 -6.549 5.942 1.00 0.00 O ATOM 180 CB ILE A 16 -1.586 -5.137 2.934 1.00 0.00 C ATOM 181 CG1 ILE A 16 -1.373 -5.414 1.445 1.00 0.00 C ATOM 182 CG2 ILE A 16 -0.722 -3.975 3.430 1.00 0.00 C ATOM 183 CD1 ILE A 16 -2.100 -4.378 0.585 1.00 0.00 C ATOM 0 H ILE A 16 -3.107 -7.082 2.870 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.359 -6.763 3.468 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.627 -4.841 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.307 -5.398 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.736 -6.413 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.915 -3.092 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.965 -3.759 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.331 -4.246 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.932 -4.598 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.168 -4.414 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.718 -3.383 0.813 1.00 0.00 H new ATOM 195 N VAL A 17 -2.307 -5.455 5.764 1.00 0.00 N ATOM 196 CA VAL A 17 -2.384 -5.135 7.179 1.00 0.00 C ATOM 197 C VAL A 17 -1.943 -6.350 7.997 1.00 0.00 C ATOM 198 O VAL A 17 -1.164 -6.219 8.940 1.00 0.00 O ATOM 199 CB VAL A 17 -3.794 -4.656 7.532 1.00 0.00 C ATOM 200 CG1 VAL A 17 -3.926 -4.398 9.034 1.00 0.00 C ATOM 201 CG2 VAL A 17 -4.167 -3.410 6.726 1.00 0.00 C ATOM 0 H VAL A 17 -3.091 -5.115 5.207 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.707 -4.316 7.422 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.493 -5.449 7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.937 -4.059 9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.723 -5.319 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.211 -3.632 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.174 -3.090 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.461 -2.609 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.133 -3.642 5.661 1.00 0.00 H new ATOM 211 N SER A 18 -2.461 -7.506 7.607 1.00 0.00 N ATOM 212 CA SER A 18 -2.131 -8.744 8.292 1.00 0.00 C ATOM 213 C SER A 18 -0.618 -8.841 8.496 1.00 0.00 C ATOM 214 O SER A 18 -0.156 -9.221 9.571 1.00 0.00 O ATOM 215 CB SER A 18 -2.640 -9.958 7.512 1.00 0.00 C ATOM 216 OG SER A 18 -3.969 -10.313 7.885 1.00 0.00 O ATOM 0 H SER A 18 -3.107 -7.611 6.825 1.00 0.00 H new ATOM 0 HA SER A 18 -2.623 -8.739 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.609 -9.742 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.976 -10.805 7.686 1.00 0.00 H new ATOM 0 HG SER A 18 -4.258 -11.091 7.364 1.00 0.00 H new ATOM 222 N MET A 19 0.113 -8.491 7.448 1.00 0.00 N ATOM 223 CA MET A 19 1.564 -8.534 7.499 1.00 0.00 C ATOM 224 C MET A 19 2.104 -7.583 8.569 1.00 0.00 C ATOM 225 O MET A 19 3.201 -7.784 9.087 1.00 0.00 O ATOM 226 CB MET A 19 2.135 -8.144 6.134 1.00 0.00 C ATOM 227 CG MET A 19 1.341 -8.796 5.001 1.00 0.00 C ATOM 228 SD MET A 19 2.447 -9.309 3.697 1.00 0.00 S ATOM 229 CE MET A 19 1.695 -8.479 2.308 1.00 0.00 C ATOM 0 H MET A 19 -0.273 -8.176 6.558 1.00 0.00 H new ATOM 0 HA MET A 19 1.870 -9.549 7.754 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.112 -7.060 6.022 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.180 -8.448 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.789 -9.656 5.381 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.606 -8.093 4.610 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.020 -8.953 1.382 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.610 -8.545 2.388 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.995 -7.431 2.304 1.00 0.00 H new ATOM 239 N GLY A 20 1.307 -6.567 8.869 1.00 0.00 N ATOM 240 CA GLY A 20 1.691 -5.585 9.868 1.00 0.00 C ATOM 241 C GLY A 20 1.886 -4.206 9.234 1.00 0.00 C ATOM 242 O GLY A 20 2.664 -3.394 9.733 1.00 0.00 O ATOM 0 H GLY A 20 0.397 -6.403 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.925 -5.529 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.614 -5.899 10.356 1.00 0.00 H new ATOM 246 N PHE A 21 1.166 -3.983 8.144 1.00 0.00 N ATOM 247 CA PHE A 21 1.250 -2.717 7.437 1.00 0.00 C ATOM 248 C PHE A 21 0.100 -1.790 7.835 1.00 0.00 C ATOM 249 O PHE A 21 -0.896 -2.237 8.403 1.00 0.00 O ATOM 250 CB PHE A 21 1.143 -3.031 5.944 1.00 0.00 C ATOM 251 CG PHE A 21 2.381 -3.716 5.362 1.00 0.00 C ATOM 252 CD1 PHE A 21 3.561 -3.043 5.291 1.00 0.00 C ATOM 253 CD2 PHE A 21 2.302 -4.998 4.916 1.00 0.00 C ATOM 254 CE1 PHE A 21 4.710 -3.680 4.751 1.00 0.00 C ATOM 255 CE2 PHE A 21 3.451 -5.635 4.376 1.00 0.00 C ATOM 256 CZ PHE A 21 4.630 -4.962 4.305 1.00 0.00 C ATOM 0 H PHE A 21 0.522 -4.659 7.733 1.00 0.00 H new ATOM 0 HA PHE A 21 2.187 -2.216 7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.275 -3.670 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.964 -2.104 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.624 -2.025 5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.365 -5.532 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.647 -3.146 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.388 -6.653 4.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.504 -5.446 3.894 1.00 0.00 H new ATOM 266 N SER A 22 0.275 -0.514 7.521 1.00 0.00 N ATOM 267 CA SER A 22 -0.736 0.480 7.838 1.00 0.00 C ATOM 268 C SER A 22 -1.851 0.446 6.791 1.00 0.00 C ATOM 269 O SER A 22 -1.586 0.275 5.602 1.00 0.00 O ATOM 270 CB SER A 22 -0.126 1.881 7.918 1.00 0.00 C ATOM 271 OG SER A 22 1.177 1.863 8.496 1.00 0.00 O ATOM 0 H SER A 22 1.102 -0.146 7.050 1.00 0.00 H new ATOM 0 HA SER A 22 -1.156 0.240 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.073 2.311 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.776 2.526 8.509 1.00 0.00 H new ATOM 0 HG SER A 22 1.533 2.775 8.528 1.00 0.00 H new ATOM 277 N ARG A 23 -3.075 0.610 7.271 1.00 0.00 N ATOM 278 CA ARG A 23 -4.231 0.600 6.391 1.00 0.00 C ATOM 279 C ARG A 23 -4.034 1.593 5.244 1.00 0.00 C ATOM 280 O ARG A 23 -4.208 1.243 4.077 1.00 0.00 O ATOM 281 CB ARG A 23 -5.508 0.961 7.154 1.00 0.00 C ATOM 282 CG ARG A 23 -6.718 0.223 6.577 1.00 0.00 C ATOM 283 CD ARG A 23 -8.007 1.009 6.824 1.00 0.00 C ATOM 284 NE ARG A 23 -8.979 0.169 7.559 1.00 0.00 N ATOM 285 CZ ARG A 23 -10.184 0.594 7.963 1.00 0.00 C ATOM 286 NH1 ARG A 23 -10.573 1.850 7.707 1.00 0.00 N ATOM 287 NH2 ARG A 23 -11.000 -0.238 8.625 1.00 0.00 N ATOM 0 H ARG A 23 -3.291 0.751 8.258 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.333 -0.408 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.391 0.707 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.675 2.037 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.580 0.071 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.797 -0.765 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.789 1.911 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.435 1.329 5.874 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.715 -0.793 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.952 2.484 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.490 2.173 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.704 -1.194 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.917 0.085 8.933 1.00 0.00 H new ATOM 301 N ASP A 24 -3.673 2.813 5.615 1.00 0.00 N ATOM 302 CA ASP A 24 -3.451 3.859 4.631 1.00 0.00 C ATOM 303 C ASP A 24 -2.478 3.351 3.564 1.00 0.00 C ATOM 304 O ASP A 24 -2.733 3.493 2.369 1.00 0.00 O ATOM 305 CB ASP A 24 -2.836 5.102 5.278 1.00 0.00 C ATOM 306 CG ASP A 24 -3.656 5.711 6.417 1.00 0.00 C ATOM 307 OD1 ASP A 24 -4.088 4.926 7.288 1.00 0.00 O ATOM 308 OD2 ASP A 24 -3.833 6.948 6.390 1.00 0.00 O ATOM 0 H ASP A 24 -3.529 3.100 6.583 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.414 4.120 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.848 4.844 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.692 5.860 4.508 1.00 0.00 H new ATOM 313 N GLN A 25 -1.384 2.770 4.035 1.00 0.00 N ATOM 314 CA GLN A 25 -0.373 2.241 3.136 1.00 0.00 C ATOM 315 C GLN A 25 -1.005 1.267 2.140 1.00 0.00 C ATOM 316 O GLN A 25 -0.859 1.430 0.929 1.00 0.00 O ATOM 317 CB GLN A 25 0.757 1.568 3.918 1.00 0.00 C ATOM 318 CG GLN A 25 1.611 2.606 4.649 1.00 0.00 C ATOM 319 CD GLN A 25 3.078 2.504 4.228 1.00 0.00 C ATOM 320 OE1 GLN A 25 3.436 1.803 3.295 1.00 0.00 O ATOM 321 NE2 GLN A 25 3.905 3.241 4.964 1.00 0.00 N ATOM 0 H GLN A 25 -1.176 2.654 5.027 1.00 0.00 H new ATOM 0 HA GLN A 25 0.059 3.072 2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.338 0.865 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.383 0.992 3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.236 3.607 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.527 2.458 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.540 3.805 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.905 3.242 4.761 1.00 0.00 H new ATOM 330 N ALA A 26 -1.695 0.276 2.686 1.00 0.00 N ATOM 331 CA ALA A 26 -2.351 -0.723 1.860 1.00 0.00 C ATOM 332 C ALA A 26 -3.218 -0.024 0.811 1.00 0.00 C ATOM 333 O ALA A 26 -3.098 -0.298 -0.382 1.00 0.00 O ATOM 334 CB ALA A 26 -3.160 -1.670 2.749 1.00 0.00 C ATOM 0 H ALA A 26 -1.814 0.144 3.690 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.614 -1.325 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.652 -2.419 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.493 -2.164 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.912 -1.102 3.297 1.00 0.00 H new ATOM 340 N LEU A 27 -4.072 0.866 1.295 1.00 0.00 N ATOM 341 CA LEU A 27 -4.959 1.607 0.414 1.00 0.00 C ATOM 342 C LEU A 27 -4.134 2.285 -0.681 1.00 0.00 C ATOM 343 O LEU A 27 -4.282 1.968 -1.861 1.00 0.00 O ATOM 344 CB LEU A 27 -5.826 2.577 1.220 1.00 0.00 C ATOM 345 CG LEU A 27 -6.859 1.939 2.150 1.00 0.00 C ATOM 346 CD1 LEU A 27 -7.224 2.885 3.296 1.00 0.00 C ATOM 347 CD2 LEU A 27 -8.093 1.483 1.369 1.00 0.00 C ATOM 0 H LEU A 27 -4.169 1.091 2.285 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.654 0.931 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.169 3.209 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.349 3.231 0.522 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.413 1.050 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.960 2.407 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.330 3.118 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.642 3.805 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.811 1.033 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.550 2.342 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.798 0.749 0.619 1.00 0.00 H new ATOM 359 N LYS A 28 -3.282 3.205 -0.253 1.00 0.00 N ATOM 360 CA LYS A 28 -2.433 3.930 -1.183 1.00 0.00 C ATOM 361 C LYS A 28 -1.725 2.934 -2.104 1.00 0.00 C ATOM 362 O LYS A 28 -1.893 2.981 -3.321 1.00 0.00 O ATOM 363 CB LYS A 28 -1.477 4.854 -0.426 1.00 0.00 C ATOM 364 CG LYS A 28 -1.799 6.324 -0.705 1.00 0.00 C ATOM 365 CD LYS A 28 -0.551 7.196 -0.558 1.00 0.00 C ATOM 366 CE LYS A 28 -0.123 7.773 -1.908 1.00 0.00 C ATOM 367 NZ LYS A 28 0.527 9.091 -1.727 1.00 0.00 N ATOM 0 H LYS A 28 -3.161 3.465 0.726 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.033 4.581 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.548 4.659 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.450 4.641 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.202 6.427 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.571 6.668 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.751 8.008 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.262 6.605 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.565 7.087 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.992 7.876 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.811 9.468 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.141 9.748 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.368 8.984 -1.124 1.00 0.00 H new ATOM 381 N ALA A 29 -0.949 2.055 -1.487 1.00 0.00 N ATOM 382 CA ALA A 29 -0.216 1.049 -2.236 1.00 0.00 C ATOM 383 C ALA A 29 -1.104 0.506 -3.358 1.00 0.00 C ATOM 384 O ALA A 29 -0.710 0.510 -4.523 1.00 0.00 O ATOM 385 CB ALA A 29 0.259 -0.051 -1.284 1.00 0.00 C ATOM 0 H ALA A 29 -0.812 2.019 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 29 0.670 1.485 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.809 -0.806 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.910 0.382 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.603 -0.513 -0.803 1.00 0.00 H new ATOM 391 N LEU A 30 -2.285 0.052 -2.966 1.00 0.00 N ATOM 392 CA LEU A 30 -3.232 -0.493 -3.924 1.00 0.00 C ATOM 393 C LEU A 30 -3.511 0.550 -5.008 1.00 0.00 C ATOM 394 O LEU A 30 -3.133 0.366 -6.164 1.00 0.00 O ATOM 395 CB LEU A 30 -4.490 -0.990 -3.210 1.00 0.00 C ATOM 396 CG LEU A 30 -4.397 -2.379 -2.575 1.00 0.00 C ATOM 397 CD1 LEU A 30 -5.166 -2.430 -1.254 1.00 0.00 C ATOM 398 CD2 LEU A 30 -4.862 -3.461 -3.552 1.00 0.00 C ATOM 0 H LEU A 30 -2.608 0.050 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.811 -1.366 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.749 -0.273 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.312 -0.994 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.351 -2.581 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.084 -3.428 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.747 -1.700 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.216 -2.198 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.786 -4.438 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.898 -3.275 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.234 -3.441 -4.443 1.00 0.00 H new ATOM 410 N ARG A 31 -4.171 1.622 -4.597 1.00 0.00 N ATOM 411 CA ARG A 31 -4.506 2.695 -5.518 1.00 0.00 C ATOM 412 C ARG A 31 -3.283 3.076 -6.355 1.00 0.00 C ATOM 413 O ARG A 31 -3.421 3.609 -7.455 1.00 0.00 O ATOM 414 CB ARG A 31 -5.006 3.930 -4.767 1.00 0.00 C ATOM 415 CG ARG A 31 -6.176 4.584 -5.506 1.00 0.00 C ATOM 416 CD ARG A 31 -5.946 6.088 -5.675 1.00 0.00 C ATOM 417 NE ARG A 31 -7.243 6.799 -5.696 1.00 0.00 N ATOM 418 CZ ARG A 31 -7.945 7.115 -4.599 1.00 0.00 C ATOM 419 NH1 ARG A 31 -7.478 6.785 -3.387 1.00 0.00 N ATOM 420 NH2 ARG A 31 -9.113 7.761 -4.714 1.00 0.00 N ATOM 0 H ARG A 31 -4.483 1.771 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.301 2.335 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.318 3.647 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.193 4.648 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.298 4.119 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.100 4.414 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.329 6.464 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.402 6.279 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.627 7.066 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.589 6.293 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.012 7.025 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.468 8.012 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.647 8.001 -3.879 1.00 0.00 H new ATOM 434 N ALA A 32 -2.114 2.787 -5.803 1.00 0.00 N ATOM 435 CA ALA A 32 -0.868 3.093 -6.485 1.00 0.00 C ATOM 436 C ALA A 32 -0.575 2.001 -7.515 1.00 0.00 C ATOM 437 O ALA A 32 -0.108 2.290 -8.616 1.00 0.00 O ATOM 438 CB ALA A 32 0.254 3.241 -5.456 1.00 0.00 C ATOM 0 H ALA A 32 -2.003 2.344 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.945 4.039 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.189 3.471 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.010 4.049 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.364 2.310 -4.901 1.00 0.00 H new ATOM 444 N THR A 33 -0.860 0.768 -7.122 1.00 0.00 N ATOM 445 CA THR A 33 -0.632 -0.369 -7.998 1.00 0.00 C ATOM 446 C THR A 33 -1.917 -0.732 -8.745 1.00 0.00 C ATOM 447 O THR A 33 -2.254 -1.908 -8.872 1.00 0.00 O ATOM 448 CB THR A 33 -0.078 -1.515 -7.150 1.00 0.00 C ATOM 449 OG1 THR A 33 -0.821 -1.441 -5.936 1.00 0.00 O ATOM 450 CG2 THR A 33 1.370 -1.275 -6.715 1.00 0.00 C ATOM 0 H THR A 33 -1.247 0.531 -6.208 1.00 0.00 H new ATOM 0 HA THR A 33 0.100 -0.133 -8.770 1.00 0.00 H new ATOM 0 HB THR A 33 -0.139 -2.445 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.357 -0.854 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.714 -2.118 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.003 -1.174 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.425 -0.362 -6.122 1.00 0.00 H new ATOM 458 N ASN A 34 -2.599 0.300 -9.220 1.00 0.00 N ATOM 459 CA ASN A 34 -3.839 0.104 -9.951 1.00 0.00 C ATOM 460 C ASN A 34 -4.760 -0.816 -9.148 1.00 0.00 C ATOM 461 O ASN A 34 -5.647 -1.457 -9.710 1.00 0.00 O ATOM 462 CB ASN A 34 -3.581 -0.552 -11.308 1.00 0.00 C ATOM 463 CG ASN A 34 -4.055 0.346 -12.452 1.00 0.00 C ATOM 464 OD1 ASN A 34 -3.273 0.966 -13.154 1.00 0.00 O ATOM 465 ND2 ASN A 34 -5.376 0.383 -12.599 1.00 0.00 N ATOM 0 H ASN A 34 -2.316 1.274 -9.113 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.297 1.081 -10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.516 -0.757 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.097 -1.511 -11.356 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.792 0.955 -13.334 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.974 -0.161 -11.977 1.00 0.00 H new ATOM 472 N ASN A 35 -4.517 -0.854 -7.846 1.00 0.00 N ATOM 473 CA ASN A 35 -5.314 -1.686 -6.960 1.00 0.00 C ATOM 474 C ASN A 35 -5.036 -3.159 -7.264 1.00 0.00 C ATOM 475 O ASN A 35 -5.889 -3.854 -7.815 1.00 0.00 O ATOM 476 CB ASN A 35 -6.809 -1.434 -7.164 1.00 0.00 C ATOM 477 CG ASN A 35 -7.103 0.063 -7.272 1.00 0.00 C ATOM 478 OD1 ASN A 35 -6.933 0.825 -6.334 1.00 0.00 O ATOM 479 ND2 ASN A 35 -7.554 0.442 -8.464 1.00 0.00 N ATOM 0 H ASN A 35 -3.780 -0.322 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.044 -1.440 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.147 -1.941 -8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.370 -1.859 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.780 1.422 -8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.674 -0.247 -9.207 1.00 0.00 H new ATOM 486 N SER A 36 -3.840 -3.592 -6.893 1.00 0.00 N ATOM 487 CA SER A 36 -3.440 -4.970 -7.120 1.00 0.00 C ATOM 488 C SER A 36 -2.734 -5.521 -5.879 1.00 0.00 C ATOM 489 O SER A 36 -1.720 -4.978 -5.445 1.00 0.00 O ATOM 490 CB SER A 36 -2.528 -5.085 -8.343 1.00 0.00 C ATOM 491 OG SER A 36 -3.179 -5.727 -9.436 1.00 0.00 O ATOM 0 H SER A 36 -3.135 -3.013 -6.437 1.00 0.00 H new ATOM 0 HA SER A 36 -4.337 -5.559 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.203 -4.090 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.632 -5.645 -8.076 1.00 0.00 H new ATOM 0 HG SER A 36 -2.565 -5.780 -10.198 1.00 0.00 H new ATOM 497 N LEU A 37 -3.300 -6.593 -5.343 1.00 0.00 N ATOM 498 CA LEU A 37 -2.738 -7.223 -4.161 1.00 0.00 C ATOM 499 C LEU A 37 -1.258 -7.527 -4.404 1.00 0.00 C ATOM 500 O LEU A 37 -0.400 -7.119 -3.623 1.00 0.00 O ATOM 501 CB LEU A 37 -3.560 -8.451 -3.766 1.00 0.00 C ATOM 502 CG LEU A 37 -2.905 -9.404 -2.763 1.00 0.00 C ATOM 503 CD1 LEU A 37 -2.540 -8.672 -1.470 1.00 0.00 C ATOM 504 CD2 LEU A 37 -3.795 -10.620 -2.501 1.00 0.00 C ATOM 0 H LEU A 37 -4.142 -7.041 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.789 -6.546 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.507 -8.110 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.795 -9.012 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.976 -9.773 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.076 -9.371 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.842 -7.865 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.442 -8.257 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.306 -11.281 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.752 -10.290 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.962 -11.157 -3.435 1.00 0.00 H new ATOM 516 N GLU A 38 -1.005 -8.241 -5.492 1.00 0.00 N ATOM 517 CA GLU A 38 0.356 -8.604 -5.848 1.00 0.00 C ATOM 518 C GLU A 38 1.224 -7.350 -5.976 1.00 0.00 C ATOM 519 O GLU A 38 2.102 -7.111 -5.148 1.00 0.00 O ATOM 520 CB GLU A 38 0.385 -9.424 -7.139 1.00 0.00 C ATOM 521 CG GLU A 38 1.102 -10.759 -6.925 1.00 0.00 C ATOM 522 CD GLU A 38 2.109 -11.026 -8.044 1.00 0.00 C ATOM 523 OE1 GLU A 38 3.173 -10.371 -8.019 1.00 0.00 O ATOM 524 OE2 GLU A 38 1.793 -11.880 -8.901 1.00 0.00 O ATOM 0 H GLU A 38 -1.719 -8.577 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 38 0.765 -9.226 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.634 -9.605 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.889 -8.858 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.615 -10.750 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.371 -11.567 -6.888 1.00 0.00 H new ATOM 531 N ARG A 39 0.948 -6.582 -7.020 1.00 0.00 N ATOM 532 CA ARG A 39 1.692 -5.359 -7.267 1.00 0.00 C ATOM 533 C ARG A 39 1.827 -4.550 -5.976 1.00 0.00 C ATOM 534 O ARG A 39 2.929 -4.148 -5.603 1.00 0.00 O ATOM 535 CB ARG A 39 1.003 -4.500 -8.329 1.00 0.00 C ATOM 536 CG ARG A 39 1.181 -5.105 -9.724 1.00 0.00 C ATOM 537 CD ARG A 39 1.778 -4.082 -10.692 1.00 0.00 C ATOM 538 NE ARG A 39 3.256 -4.122 -10.623 1.00 0.00 N ATOM 539 CZ ARG A 39 4.007 -5.099 -11.149 1.00 0.00 C ATOM 540 NH1 ARG A 39 3.424 -6.122 -11.787 1.00 0.00 N ATOM 541 NH2 ARG A 39 5.342 -5.052 -11.037 1.00 0.00 N ATOM 0 H ARG A 39 0.219 -6.783 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 39 2.681 -5.640 -7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.059 -4.413 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.416 -3.492 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.831 -5.978 -9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.218 -5.449 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.447 -4.295 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.421 -3.083 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 39 3.733 -3.358 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.408 -6.157 -11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.996 -6.866 -12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.786 -4.273 -10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.914 -5.796 -11.437 1.00 0.00 H new ATOM 555 N ALA A 40 0.692 -4.335 -5.328 1.00 0.00 N ATOM 556 CA ALA A 40 0.669 -3.581 -4.086 1.00 0.00 C ATOM 557 C ALA A 40 1.857 -4.001 -3.218 1.00 0.00 C ATOM 558 O ALA A 40 2.766 -3.208 -2.978 1.00 0.00 O ATOM 559 CB ALA A 40 -0.672 -3.796 -3.382 1.00 0.00 C ATOM 0 H ALA A 40 -0.219 -4.670 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 40 0.765 -2.513 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.689 -3.230 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.481 -3.455 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.803 -4.856 -3.165 1.00 0.00 H new ATOM 565 N VAL A 41 1.812 -5.248 -2.772 1.00 0.00 N ATOM 566 CA VAL A 41 2.873 -5.783 -1.936 1.00 0.00 C ATOM 567 C VAL A 41 4.227 -5.330 -2.486 1.00 0.00 C ATOM 568 O VAL A 41 5.060 -4.811 -1.744 1.00 0.00 O ATOM 569 CB VAL A 41 2.746 -7.304 -1.839 1.00 0.00 C ATOM 570 CG1 VAL A 41 4.034 -7.929 -1.298 1.00 0.00 C ATOM 571 CG2 VAL A 41 1.542 -7.700 -0.981 1.00 0.00 C ATOM 0 H VAL A 41 1.057 -5.903 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 41 2.789 -5.398 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 41 2.583 -7.691 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.917 -9.011 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.862 -7.690 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.242 -7.532 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.474 -8.787 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.662 -7.295 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.631 -7.301 -1.427 1.00 0.00 H new ATOM 581 N ASP A 42 4.404 -5.542 -3.782 1.00 0.00 N ATOM 582 CA ASP A 42 5.643 -5.162 -4.439 1.00 0.00 C ATOM 583 C ASP A 42 5.939 -3.690 -4.149 1.00 0.00 C ATOM 584 O ASP A 42 7.070 -3.332 -3.825 1.00 0.00 O ATOM 585 CB ASP A 42 5.536 -5.333 -5.956 1.00 0.00 C ATOM 586 CG ASP A 42 6.538 -6.313 -6.569 1.00 0.00 C ATOM 587 OD1 ASP A 42 7.664 -5.861 -6.868 1.00 0.00 O ATOM 588 OD2 ASP A 42 6.155 -7.493 -6.725 1.00 0.00 O ATOM 0 H ASP A 42 3.711 -5.972 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 42 6.437 -5.804 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.528 -5.669 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.669 -4.359 -6.427 1.00 0.00 H new ATOM 593 N TRP A 43 4.902 -2.875 -4.276 1.00 0.00 N ATOM 594 CA TRP A 43 5.036 -1.449 -4.031 1.00 0.00 C ATOM 595 C TRP A 43 5.397 -1.254 -2.557 1.00 0.00 C ATOM 596 O TRP A 43 6.222 -0.405 -2.223 1.00 0.00 O ATOM 597 CB TRP A 43 3.766 -0.700 -4.439 1.00 0.00 C ATOM 598 CG TRP A 43 3.911 0.823 -4.430 1.00 0.00 C ATOM 599 CD1 TRP A 43 4.297 1.621 -5.434 1.00 0.00 C ATOM 600 CD2 TRP A 43 3.654 1.704 -3.316 1.00 0.00 C ATOM 601 NE1 TRP A 43 4.308 2.947 -5.051 1.00 0.00 N ATOM 602 CE2 TRP A 43 3.905 2.999 -3.722 1.00 0.00 C ATOM 603 CE3 TRP A 43 3.224 1.416 -2.009 1.00 0.00 C ATOM 604 CZ2 TRP A 43 3.754 4.109 -2.882 1.00 0.00 C ATOM 605 CZ3 TRP A 43 3.079 2.536 -1.181 1.00 0.00 C ATOM 606 CH2 TRP A 43 3.327 3.846 -1.575 1.00 0.00 C ATOM 0 H TRP A 43 3.965 -3.175 -4.545 1.00 0.00 H new ATOM 0 HA TRP A 43 5.832 -1.026 -4.644 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.473 -1.021 -5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.958 -0.982 -3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.566 1.271 -6.420 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.565 3.742 -5.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.022 0.411 -1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.956 5.113 -3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.752 2.371 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.191 4.658 -0.876 1.00 0.00 H new ATOM 617 N ILE A 44 4.761 -2.055 -1.714 1.00 0.00 N ATOM 618 CA ILE A 44 5.005 -1.982 -0.284 1.00 0.00 C ATOM 619 C ILE A 44 6.466 -2.336 -0.001 1.00 0.00 C ATOM 620 O ILE A 44 7.262 -1.468 0.355 1.00 0.00 O ATOM 621 CB ILE A 44 4.003 -2.853 0.476 1.00 0.00 C ATOM 622 CG1 ILE A 44 2.647 -2.154 0.593 1.00 0.00 C ATOM 623 CG2 ILE A 44 4.557 -3.261 1.843 1.00 0.00 C ATOM 624 CD1 ILE A 44 1.634 -3.040 1.321 1.00 0.00 C ATOM 0 H ILE A 44 4.077 -2.758 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 44 4.847 -0.966 0.077 1.00 0.00 H new ATOM 0 HB ILE A 44 3.845 -3.769 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.764 -1.213 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.273 -1.909 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.825 -3.879 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.479 -3.826 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.762 -2.368 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.679 -2.519 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.501 -3.970 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.000 -3.263 2.323 1.00 0.00 H new ATOM 636 N PHE A 45 6.776 -3.613 -0.170 1.00 0.00 N ATOM 637 CA PHE A 45 8.127 -4.093 0.062 1.00 0.00 C ATOM 638 C PHE A 45 9.162 -3.082 -0.437 1.00 0.00 C ATOM 639 O PHE A 45 10.107 -2.752 0.277 1.00 0.00 O ATOM 640 CB PHE A 45 8.282 -5.395 -0.726 1.00 0.00 C ATOM 641 CG PHE A 45 8.040 -6.657 0.104 1.00 0.00 C ATOM 642 CD1 PHE A 45 6.819 -6.884 0.657 1.00 0.00 C ATOM 643 CD2 PHE A 45 9.047 -7.553 0.289 1.00 0.00 C ATOM 644 CE1 PHE A 45 6.595 -8.056 1.427 1.00 0.00 C ATOM 645 CE2 PHE A 45 8.823 -8.724 1.059 1.00 0.00 C ATOM 646 CZ PHE A 45 7.602 -8.951 1.612 1.00 0.00 C ATOM 0 H PHE A 45 6.114 -4.330 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 45 8.290 -4.242 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.586 -5.385 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.287 -5.436 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.019 -6.173 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.017 -7.373 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.625 -8.237 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.623 -9.435 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.432 -9.842 2.198 1.00 0.00 H new ATOM 656 N SER A 46 8.947 -2.620 -1.660 1.00 0.00 N ATOM 657 CA SER A 46 9.849 -1.653 -2.264 1.00 0.00 C ATOM 658 C SER A 46 10.127 -0.513 -1.283 1.00 0.00 C ATOM 659 O SER A 46 11.280 -0.143 -1.066 1.00 0.00 O ATOM 660 CB SER A 46 9.272 -1.102 -3.569 1.00 0.00 C ATOM 661 OG SER A 46 10.289 -0.612 -4.438 1.00 0.00 O ATOM 0 H SER A 46 8.162 -2.897 -2.249 1.00 0.00 H new ATOM 0 HA SER A 46 10.786 -2.159 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.709 -1.886 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.570 -0.299 -3.344 1.00 0.00 H new ATOM 0 HG SER A 46 9.880 -0.271 -5.261 1.00 0.00 H new ATOM 667 N HIS A 47 9.051 0.012 -0.715 1.00 0.00 N ATOM 668 CA HIS A 47 9.164 1.103 0.238 1.00 0.00 C ATOM 669 C HIS A 47 10.062 0.677 1.401 1.00 0.00 C ATOM 670 O HIS A 47 10.913 1.445 1.847 1.00 0.00 O ATOM 671 CB HIS A 47 7.782 1.570 0.697 1.00 0.00 C ATOM 672 CG HIS A 47 7.426 2.968 0.251 1.00 0.00 C ATOM 673 ND1 HIS A 47 6.141 3.475 0.328 1.00 0.00 N ATOM 674 CD2 HIS A 47 8.200 3.959 -0.276 1.00 0.00 C ATOM 675 CE1 HIS A 47 6.152 4.716 -0.136 1.00 0.00 C ATOM 676 NE2 HIS A 47 7.430 5.014 -0.510 1.00 0.00 N ATOM 0 H HIS A 47 8.096 -0.298 -0.897 1.00 0.00 H new ATOM 0 HA HIS A 47 9.632 1.962 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.031 0.877 0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.737 1.525 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.261 3.896 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.300 5.376 -0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.742 5.901 -0.904 1.00 0.00 H new ATOM 684 N ILE A 48 9.843 -0.547 1.859 1.00 0.00 N ATOM 685 CA ILE A 48 10.621 -1.085 2.961 1.00 0.00 C ATOM 686 C ILE A 48 12.105 -1.063 2.590 1.00 0.00 C ATOM 687 O ILE A 48 12.939 -0.617 3.377 1.00 0.00 O ATOM 688 CB ILE A 48 10.106 -2.470 3.355 1.00 0.00 C ATOM 689 CG1 ILE A 48 8.833 -2.363 4.198 1.00 0.00 C ATOM 690 CG2 ILE A 48 11.195 -3.279 4.063 1.00 0.00 C ATOM 691 CD1 ILE A 48 7.591 -2.657 3.354 1.00 0.00 C ATOM 0 H ILE A 48 9.137 -1.182 1.486 1.00 0.00 H new ATOM 0 HA ILE A 48 10.505 -0.463 3.849 1.00 0.00 H new ATOM 0 HB ILE A 48 9.845 -3.009 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.885 -3.063 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.758 -1.363 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.803 -4.260 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.049 -3.400 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.510 -2.754 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.700 -2.574 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.529 -1.940 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.658 -3.666 2.948 1.00 0.00 H new ATOM 703 N ASP A 49 12.390 -1.550 1.391 1.00 0.00 N ATOM 704 CA ASP A 49 13.759 -1.593 0.906 1.00 0.00 C ATOM 705 C ASP A 49 14.038 -0.342 0.070 1.00 0.00 C ATOM 706 O ASP A 49 14.231 -0.432 -1.142 1.00 0.00 O ATOM 707 CB ASP A 49 13.991 -2.817 0.019 1.00 0.00 C ATOM 708 CG ASP A 49 14.249 -4.123 0.773 1.00 0.00 C ATOM 709 OD1 ASP A 49 13.247 -4.752 1.177 1.00 0.00 O ATOM 710 OD2 ASP A 49 15.442 -4.463 0.929 1.00 0.00 O ATOM 0 H ASP A 49 11.696 -1.918 0.741 1.00 0.00 H new ATOM 0 HA ASP A 49 14.422 -1.644 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.121 -2.952 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.841 -2.618 -0.634 1.00 0.00 H new ATOM 715 N ASP A 50 14.050 0.795 0.749 1.00 0.00 N ATOM 716 CA ASP A 50 14.302 2.062 0.084 1.00 0.00 C ATOM 717 C ASP A 50 14.849 3.067 1.100 1.00 0.00 C ATOM 718 O ASP A 50 14.083 3.767 1.759 1.00 0.00 O ATOM 719 CB ASP A 50 13.014 2.639 -0.506 1.00 0.00 C ATOM 720 CG ASP A 50 12.625 2.083 -1.877 1.00 0.00 C ATOM 721 OD1 ASP A 50 13.541 1.591 -2.571 1.00 0.00 O ATOM 722 OD2 ASP A 50 11.420 2.161 -2.200 1.00 0.00 O ATOM 0 H ASP A 50 13.889 0.866 1.754 1.00 0.00 H new ATOM 0 HA ASP A 50 15.019 1.886 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.197 2.451 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.122 3.721 -0.587 1.00 0.00 H new ATOM 727 N LEU A 51 16.170 3.105 1.194 1.00 0.00 N ATOM 728 CA LEU A 51 16.828 4.012 2.118 1.00 0.00 C ATOM 729 C LEU A 51 17.374 5.214 1.345 1.00 0.00 C ATOM 730 O LEU A 51 18.587 5.370 1.208 1.00 0.00 O ATOM 731 CB LEU A 51 17.891 3.271 2.932 1.00 0.00 C ATOM 732 CG LEU A 51 17.369 2.243 3.938 1.00 0.00 C ATOM 733 CD1 LEU A 51 16.931 0.958 3.231 1.00 0.00 C ATOM 734 CD2 LEU A 51 18.403 1.971 5.032 1.00 0.00 C ATOM 0 H LEU A 51 16.802 2.522 0.645 1.00 0.00 H new ATOM 0 HA LEU A 51 16.114 4.398 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 51 18.562 2.764 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 51 18.486 4.008 3.471 1.00 0.00 H new ATOM 0 HG LEU A 51 16.488 2.660 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.564 0.244 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.137 1.186 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.780 0.527 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.006 1.237 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 51 19.317 1.585 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.624 2.897 5.562 1.00 0.00 H new ATOM 746 N ASP A 52 16.453 6.033 0.859 1.00 0.00 N ATOM 747 CA ASP A 52 16.827 7.216 0.102 1.00 0.00 C ATOM 748 C ASP A 52 15.563 7.975 -0.307 1.00 0.00 C ATOM 749 O ASP A 52 14.642 7.392 -0.877 1.00 0.00 O ATOM 750 CB ASP A 52 17.585 6.838 -1.172 1.00 0.00 C ATOM 751 CG ASP A 52 18.922 7.556 -1.366 1.00 0.00 C ATOM 752 OD1 ASP A 52 18.877 8.755 -1.716 1.00 0.00 O ATOM 753 OD2 ASP A 52 19.959 6.889 -1.159 1.00 0.00 O ATOM 0 H ASP A 52 15.448 5.901 0.975 1.00 0.00 H new ATOM 0 HA ASP A 52 17.468 7.832 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 52 17.765 5.763 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.949 7.049 -2.031 1.00 0.00 H new ATOM 758 N ALA A 53 15.560 9.264 0.000 1.00 0.00 N ATOM 759 CA ALA A 53 14.424 10.108 -0.329 1.00 0.00 C ATOM 760 C ALA A 53 14.004 9.850 -1.777 1.00 0.00 C ATOM 761 O ALA A 53 12.844 9.538 -2.045 1.00 0.00 O ATOM 762 CB ALA A 53 14.788 11.573 -0.080 1.00 0.00 C ATOM 0 H ALA A 53 16.326 9.744 0.473 1.00 0.00 H new ATOM 0 HA ALA A 53 13.572 9.870 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.936 12.207 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.050 11.710 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.638 11.848 -0.705 1.00 0.00 H new ATOM 768 N GLU A 54 14.970 9.989 -2.674 1.00 0.00 N ATOM 769 CA GLU A 54 14.714 9.774 -4.088 1.00 0.00 C ATOM 770 C GLU A 54 13.462 10.538 -4.523 1.00 0.00 C ATOM 771 O GLU A 54 12.344 10.058 -4.340 1.00 0.00 O ATOM 772 CB GLU A 54 14.584 8.282 -4.401 1.00 0.00 C ATOM 773 CG GLU A 54 14.986 7.989 -5.848 1.00 0.00 C ATOM 774 CD GLU A 54 14.116 6.881 -6.445 1.00 0.00 C ATOM 775 OE1 GLU A 54 14.315 5.718 -6.032 1.00 0.00 O ATOM 776 OE2 GLU A 54 13.271 7.222 -7.301 1.00 0.00 O ATOM 0 H GLU A 54 15.931 10.248 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 54 15.563 10.157 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.214 7.708 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.557 7.959 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.889 8.895 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.034 7.693 -5.885 1.00 0.00 H new ATOM 783 N ALA A 55 13.691 11.713 -5.090 1.00 0.00 N ATOM 784 CA ALA A 55 12.595 12.547 -5.553 1.00 0.00 C ATOM 785 C ALA A 55 12.700 12.725 -7.069 1.00 0.00 C ATOM 786 O ALA A 55 11.803 12.323 -7.808 1.00 0.00 O ATOM 787 CB ALA A 55 12.619 13.882 -4.806 1.00 0.00 C ATOM 0 H ALA A 55 14.620 12.108 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 55 11.636 12.073 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.797 14.508 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.512 13.702 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.566 14.388 -4.996 1.00 0.00 H new ATOM 793 N ALA A 56 13.803 13.328 -7.487 1.00 0.00 N ATOM 794 CA ALA A 56 14.037 13.564 -8.902 1.00 0.00 C ATOM 795 C ALA A 56 12.959 14.506 -9.442 1.00 0.00 C ATOM 796 O ALA A 56 11.811 14.102 -9.623 1.00 0.00 O ATOM 797 CB ALA A 56 14.068 12.226 -9.644 1.00 0.00 C ATOM 0 H ALA A 56 14.545 13.660 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 56 15.003 14.045 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.243 12.402 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.869 11.606 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.114 11.716 -9.514 1.00 0.00 H new ATOM 803 N MET A 57 13.367 15.743 -9.685 1.00 0.00 N ATOM 804 CA MET A 57 12.451 16.745 -10.201 1.00 0.00 C ATOM 805 C MET A 57 12.820 17.141 -11.632 1.00 0.00 C ATOM 806 O MET A 57 13.888 16.780 -12.123 1.00 0.00 O ATOM 807 CB MET A 57 12.489 17.983 -9.302 1.00 0.00 C ATOM 808 CG MET A 57 11.356 17.950 -8.275 1.00 0.00 C ATOM 809 SD MET A 57 11.711 19.079 -6.938 1.00 0.00 S ATOM 810 CE MET A 57 11.781 17.930 -5.573 1.00 0.00 C ATOM 0 H MET A 57 14.320 16.074 -9.534 1.00 0.00 H new ATOM 0 HA MET A 57 11.447 16.322 -10.209 1.00 0.00 H new ATOM 0 HB2 MET A 57 13.449 18.034 -8.788 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.406 18.882 -9.912 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.414 18.222 -8.751 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.236 16.939 -7.886 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.996 18.472 -4.652 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.823 17.419 -5.478 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.567 17.197 -5.754 1.00 0.00 H new ATOM 820 N SER A 58 11.916 17.878 -12.260 1.00 0.00 N ATOM 821 CA SER A 58 12.133 18.327 -13.625 1.00 0.00 C ATOM 822 C SER A 58 13.176 19.446 -13.648 1.00 0.00 C ATOM 823 O SER A 58 13.545 19.977 -12.601 1.00 0.00 O ATOM 824 CB SER A 58 10.827 18.805 -14.262 1.00 0.00 C ATOM 825 OG SER A 58 9.802 17.818 -14.183 1.00 0.00 O ATOM 0 H SER A 58 11.031 18.176 -11.849 1.00 0.00 H new ATOM 0 HA SER A 58 12.502 17.483 -14.208 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.493 19.715 -13.764 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.005 19.060 -15.307 1.00 0.00 H new ATOM 0 HG SER A 58 8.984 18.162 -14.599 1.00 0.00 H new ATOM 831 N GLY A 59 13.621 19.772 -14.852 1.00 0.00 N ATOM 832 CA GLY A 59 14.614 20.819 -15.025 1.00 0.00 C ATOM 833 C GLY A 59 15.996 20.223 -15.303 1.00 0.00 C ATOM 834 O GLY A 59 16.822 20.114 -14.399 1.00 0.00 O ATOM 0 H GLY A 59 13.312 19.330 -15.718 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.322 21.470 -15.849 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.655 21.438 -14.129 1.00 0.00 H new ATOM 838 N PRO A 60 16.209 19.844 -16.592 1.00 0.00 N ATOM 839 CA PRO A 60 17.477 19.263 -17.001 1.00 0.00 C ATOM 840 C PRO A 60 18.565 20.334 -17.099 1.00 0.00 C ATOM 841 O PRO A 60 18.974 20.710 -18.196 1.00 0.00 O ATOM 842 CB PRO A 60 17.188 18.586 -18.331 1.00 0.00 C ATOM 843 CG PRO A 60 15.897 19.205 -18.842 1.00 0.00 C ATOM 844 CD PRO A 60 15.254 19.959 -17.690 1.00 0.00 C ATOM 0 HA PRO A 60 17.863 18.544 -16.278 1.00 0.00 H new ATOM 0 HB2 PRO A 60 18.004 18.746 -19.036 1.00 0.00 H new ATOM 0 HB3 PRO A 60 17.082 17.508 -18.206 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.100 19.880 -19.674 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.225 18.432 -19.215 1.00 0.00 H new ATOM 0 HD2 PRO A 60 15.074 21.002 -17.951 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.290 19.527 -17.423 1.00 0.00 H new ATOM 852 N SER A 61 19.003 20.795 -15.937 1.00 0.00 N ATOM 853 CA SER A 61 20.036 21.815 -15.878 1.00 0.00 C ATOM 854 C SER A 61 21.232 21.399 -16.737 1.00 0.00 C ATOM 855 O SER A 61 21.652 20.244 -16.706 1.00 0.00 O ATOM 856 CB SER A 61 20.482 22.065 -14.435 1.00 0.00 C ATOM 857 OG SER A 61 19.765 23.140 -13.834 1.00 0.00 O ATOM 0 H SER A 61 18.661 20.481 -15.029 1.00 0.00 H new ATOM 0 HA SER A 61 19.621 22.744 -16.268 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.336 21.158 -13.848 1.00 0.00 H new ATOM 0 HB3 SER A 61 21.549 22.287 -14.418 1.00 0.00 H new ATOM 0 HG SER A 61 20.077 23.267 -12.914 1.00 0.00 H new ATOM 863 N SER A 62 21.746 22.365 -17.485 1.00 0.00 N ATOM 864 CA SER A 62 22.884 22.114 -18.352 1.00 0.00 C ATOM 865 C SER A 62 24.184 22.213 -17.551 1.00 0.00 C ATOM 866 O SER A 62 24.866 23.236 -17.593 1.00 0.00 O ATOM 867 CB SER A 62 22.909 23.093 -19.527 1.00 0.00 C ATOM 868 OG SER A 62 23.921 22.766 -20.475 1.00 0.00 O ATOM 0 H SER A 62 21.395 23.322 -17.508 1.00 0.00 H new ATOM 0 HA SER A 62 22.789 21.106 -18.756 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.937 23.092 -20.020 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.076 24.103 -19.153 1.00 0.00 H new ATOM 0 HG SER A 62 23.903 23.414 -21.210 1.00 0.00 H new ATOM 874 N GLY A 63 24.488 21.137 -16.841 1.00 0.00 N ATOM 875 CA GLY A 63 25.693 21.090 -16.031 1.00 0.00 C ATOM 876 C GLY A 63 25.604 19.984 -14.978 1.00 0.00 C ATOM 877 O GLY A 63 25.495 18.807 -15.317 1.00 0.00 O ATOM 0 H GLY A 63 23.920 20.290 -16.810 1.00 0.00 H new ATOM 0 HA2 GLY A 63 26.559 20.919 -16.671 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.844 22.052 -15.541 1.00 0.00 H new TER 881 GLY A 63