USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 396 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 52 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 54 SER OG : rot -98:sc= -0.0784 USER MOD Set 1.3: A 57 ASN : amide:sc= -0.225 K(o=-0.3,f=-1.5) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 180:sc= -0.0317 (180deg=0) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -126:sc= 0.284 (180deg=-0.027) USER MOD Single : A 1 LYS N :NH3+ 170:sc= 0.283 (180deg=0.131) USER MOD Single : A 1 LYS NZ :NH3+ -133:sc= 1.12 (180deg=0.0231) USER MOD Single : A 4 TYR OH : rot -23:sc= 0.765 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0.227 (180deg=0.153) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -0.283 (180deg=-0.513) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.722 K(o=0.72,f=-3.6!) USER MOD Single : A 19 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.176 K(o=0.18,f=-0.43) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0.879 (180deg=0.743) USER MOD Single : A 27 MET CE :methyl 173:sc= 0 (180deg=-0.121) USER MOD Single : A 31 SER OG : rot 15:sc= 0.818 USER MOD Single : A 34 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.56) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 52:sc= 1.93 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.515 K(o=-0.51,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 0.86 (180deg=0.57) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 1.121 0.910 1.00 10.00 C ATOM 4 O LYS A 1 1.246 2.093 1.158 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.080 -1.431 1.00 10.00 C ATOM 6 CG LYS A 1 1.670 1.437 -2.061 1.00 10.00 C ATOM 7 CD LYS A 1 2.054 1.459 -3.542 1.00 10.00 C ATOM 8 CE LYS A 1 1.935 2.871 -4.119 1.00 10.00 C ATOM 9 NZ LYS A 1 2.206 2.860 -5.574 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.642 -0.741 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.320 0.927 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.963 -0.186 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.937 0.406 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.067 -0.079 -1.429 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.550 -0.716 -2.032 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.606 1.650 -1.954 1.00 10.00 H new ATOM 0 HG3 LYS A 1 2.207 2.223 -1.531 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.076 1.098 -3.662 1.00 10.00 H new ATOM 0 HD3 LYS A 1 1.409 0.779 -4.099 1.00 10.00 H new ATOM 0 HE2 LYS A 1 0.936 3.264 -3.932 1.00 10.00 H new ATOM 0 HE3 LYS A 1 2.638 3.536 -3.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 2.865 3.629 -5.810 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 2.628 1.948 -5.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 1.316 2.995 -6.094 1.00 10.00 H new ATOM 22 N ASP A 2 3.185 0.949 1.382 1.00 10.00 N ATOM 23 CA ASP A 2 3.756 1.883 2.338 1.00 10.00 C ATOM 24 C ASP A 2 4.992 2.543 1.724 1.00 10.00 C ATOM 25 O ASP A 2 5.634 1.970 0.845 1.00 10.00 O ATOM 26 CB ASP A 2 4.190 1.164 3.617 1.00 10.00 C ATOM 27 CG ASP A 2 3.097 0.340 4.299 1.00 10.00 C ATOM 28 OD1 ASP A 2 1.905 0.478 3.988 1.00 10.00 O ATOM 29 OD2 ASP A 2 3.516 -0.485 5.198 1.00 10.00 O ATOM 0 H ASP A 2 3.799 0.177 1.121 1.00 10.00 H new ATOM 0 HA ASP A 2 2.995 2.625 2.581 1.00 10.00 H new ATOM 0 HB2 ASP A 2 5.026 0.505 3.380 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.560 1.906 4.325 1.00 10.00 H new ATOM 35 N GLY A 3 5.287 3.739 2.210 1.00 10.00 N ATOM 36 CA GLY A 3 6.484 4.445 1.784 1.00 10.00 C ATOM 37 C GLY A 3 6.343 5.951 2.014 1.00 10.00 C ATOM 38 O GLY A 3 5.524 6.385 2.823 1.00 10.00 O ATOM 0 H GLY A 3 4.718 4.237 2.895 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.347 4.069 2.333 1.00 10.00 H new ATOM 0 HA3 GLY A 3 6.669 4.251 0.728 1.00 10.00 H new ATOM 42 N TYR A 4 7.155 6.707 1.289 1.00 10.00 N ATOM 43 CA TYR A 4 7.105 8.157 1.377 1.00 10.00 C ATOM 44 C TYR A 4 6.409 8.757 0.154 1.00 10.00 C ATOM 45 O TYR A 4 6.939 8.703 -0.955 1.00 10.00 O ATOM 46 CB TYR A 4 8.561 8.627 1.403 1.00 10.00 C ATOM 47 CG TYR A 4 9.449 7.850 2.376 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.378 8.105 3.730 1.00 10.00 C ATOM 49 CD2 TYR A 4 10.322 6.892 1.900 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.214 7.374 4.646 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.158 6.160 2.816 1.00 10.00 C ATOM 52 CZ TYR A 4 11.063 6.437 4.144 1.00 10.00 C ATOM 53 OH TYR A 4 11.852 5.746 5.009 1.00 10.00 O ATOM 0 H TYR A 4 7.851 6.343 0.638 1.00 10.00 H new ATOM 0 HA TYR A 4 6.549 8.470 2.261 1.00 10.00 H new ATOM 0 HB2 TYR A 4 8.978 8.541 0.399 1.00 10.00 H new ATOM 0 HB3 TYR A 4 8.586 9.684 1.669 1.00 10.00 H new ATOM 0 HD1 TYR A 4 8.695 8.854 4.103 1.00 10.00 H new ATOM 0 HD2 TYR A 4 10.378 6.692 0.840 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.168 7.565 5.708 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.845 5.408 2.456 1.00 10.00 H new ATOM 0 HH TYR A 4 11.964 6.263 5.834 1.00 10.00 H new ATOM 63 N PRO A 5 5.201 9.329 0.403 1.00 10.00 N ATOM 64 CA PRO A 5 4.368 9.820 -0.681 1.00 10.00 C ATOM 65 C PRO A 5 4.914 11.136 -1.239 1.00 10.00 C ATOM 66 O PRO A 5 5.330 12.011 -0.481 1.00 10.00 O ATOM 67 CB PRO A 5 2.980 9.962 -0.077 1.00 10.00 C ATOM 68 CG PRO A 5 3.182 9.991 1.429 1.00 10.00 C ATOM 69 CD PRO A 5 4.598 9.522 1.719 1.00 10.00 C ATOM 0 HA PRO A 5 4.349 9.144 -1.536 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.495 10.874 -0.424 1.00 10.00 H new ATOM 0 HB3 PRO A 5 2.340 9.130 -0.369 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.027 10.998 1.815 1.00 10.00 H new ATOM 0 HG3 PRO A 5 2.457 9.345 1.924 1.00 10.00 H new ATOM 0 HD2 PRO A 5 5.148 10.260 2.302 1.00 10.00 H new ATOM 0 HD3 PRO A 5 4.599 8.596 2.295 1.00 10.00 H new ATOM 77 N VAL A 6 4.896 11.234 -2.560 1.00 10.00 N ATOM 78 CA VAL A 6 5.357 12.439 -3.228 1.00 10.00 C ATOM 79 C VAL A 6 4.335 12.853 -4.289 1.00 10.00 C ATOM 80 O VAL A 6 3.858 12.017 -5.055 1.00 10.00 O ATOM 81 CB VAL A 6 6.758 12.216 -3.802 1.00 10.00 C ATOM 82 CG1 VAL A 6 7.737 11.785 -2.708 1.00 10.00 C ATOM 83 CG2 VAL A 6 6.727 11.197 -4.942 1.00 10.00 C ATOM 0 H VAL A 6 4.569 10.498 -3.186 1.00 10.00 H new ATOM 0 HA VAL A 6 5.438 13.262 -2.517 1.00 10.00 H new ATOM 0 HB VAL A 6 7.108 13.165 -4.210 1.00 10.00 H new ATOM 0 HG11 VAL A 6 8.725 11.633 -3.143 1.00 10.00 H new ATOM 0 HG12 VAL A 6 7.792 12.560 -1.943 1.00 10.00 H new ATOM 0 HG13 VAL A 6 7.392 10.854 -2.257 1.00 10.00 H new ATOM 0 HG21 VAL A 6 7.735 11.057 -5.332 1.00 10.00 H new ATOM 0 HG22 VAL A 6 6.347 10.246 -4.570 1.00 10.00 H new ATOM 0 HG23 VAL A 6 6.077 11.561 -5.738 1.00 10.00 H new ATOM 93 N ASP A 7 4.030 14.142 -4.300 1.00 10.00 N ATOM 94 CA ASP A 7 3.127 14.689 -5.299 1.00 10.00 C ATOM 95 C ASP A 7 3.103 16.214 -5.178 1.00 10.00 C ATOM 96 O ASP A 7 3.716 16.913 -5.982 1.00 10.00 O ATOM 97 CB ASP A 7 1.701 14.176 -5.092 1.00 10.00 C ATOM 98 CG ASP A 7 1.371 13.739 -3.663 1.00 10.00 C ATOM 99 OD1 ASP A 7 1.101 12.557 -3.403 1.00 10.00 O ATOM 100 OD2 ASP A 7 1.399 14.682 -2.784 1.00 10.00 O ATOM 0 H ASP A 7 4.392 14.824 -3.633 1.00 10.00 H new ATOM 0 HA ASP A 7 3.483 14.379 -6.281 1.00 10.00 H new ATOM 0 HB2 ASP A 7 1.003 14.960 -5.386 1.00 10.00 H new ATOM 0 HB3 ASP A 7 1.534 13.332 -5.761 1.00 10.00 H new ATOM 106 N SER A 8 2.389 16.684 -4.166 1.00 10.00 N ATOM 107 CA SER A 8 2.150 18.109 -4.017 1.00 10.00 C ATOM 108 C SER A 8 3.353 18.775 -3.347 1.00 10.00 C ATOM 109 O SER A 8 3.668 19.929 -3.635 1.00 10.00 O ATOM 110 CB SER A 8 0.878 18.373 -3.208 1.00 10.00 C ATOM 111 OG SER A 8 0.926 17.758 -1.924 1.00 10.00 O ATOM 0 H SER A 8 1.968 16.103 -3.441 1.00 10.00 H new ATOM 0 HA SER A 8 2.012 18.538 -5.010 1.00 10.00 H new ATOM 0 HB2 SER A 8 0.739 19.448 -3.090 1.00 10.00 H new ATOM 0 HB3 SER A 8 0.014 17.998 -3.758 1.00 10.00 H new ATOM 0 HG SER A 8 0.097 17.951 -1.438 1.00 10.00 H new ATOM 117 N LYS A 9 3.993 18.020 -2.467 1.00 10.00 N ATOM 118 CA LYS A 9 5.128 18.537 -1.722 1.00 10.00 C ATOM 119 C LYS A 9 6.358 18.566 -2.631 1.00 10.00 C ATOM 120 O LYS A 9 7.287 19.338 -2.401 1.00 10.00 O ATOM 121 CB LYS A 9 5.334 17.737 -0.434 1.00 10.00 C ATOM 122 CG LYS A 9 5.838 16.325 -0.741 1.00 10.00 C ATOM 123 CD LYS A 9 5.265 15.311 0.251 1.00 10.00 C ATOM 124 CE LYS A 9 3.853 14.884 -0.155 1.00 10.00 C ATOM 125 NZ LYS A 9 3.387 13.764 0.692 1.00 10.00 N ATOM 0 H LYS A 9 3.747 17.054 -2.253 1.00 10.00 H new ATOM 0 HA LYS A 9 4.940 19.563 -1.405 1.00 10.00 H new ATOM 0 HB2 LYS A 9 6.050 18.251 0.207 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.395 17.680 0.117 1.00 10.00 H new ATOM 0 HG2 LYS A 9 5.554 16.046 -1.756 1.00 10.00 H new ATOM 0 HG3 LYS A 9 6.927 16.306 -0.698 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.914 14.436 0.298 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.244 15.746 1.250 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.170 15.728 -0.060 1.00 10.00 H new ATOM 0 HE3 LYS A 9 3.845 14.583 -1.203 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.534 13.343 0.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 4.134 13.043 0.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 3.165 14.118 1.644 1.00 10.00 H new ATOM 138 N GLY A 10 6.325 17.714 -3.646 1.00 10.00 N ATOM 139 CA GLY A 10 7.468 17.556 -4.528 1.00 10.00 C ATOM 140 C GLY A 10 8.437 16.502 -3.987 1.00 10.00 C ATOM 141 O GLY A 10 8.499 15.387 -4.504 1.00 10.00 O ATOM 0 H GLY A 10 5.524 17.126 -3.877 1.00 10.00 H new ATOM 0 HA2 GLY A 10 7.127 17.266 -5.522 1.00 10.00 H new ATOM 0 HA3 GLY A 10 7.985 18.510 -4.634 1.00 10.00 H new ATOM 145 N CYS A 11 9.168 16.891 -2.954 1.00 10.00 N ATOM 146 CA CYS A 11 10.271 16.080 -2.469 1.00 10.00 C ATOM 147 C CYS A 11 10.058 15.821 -0.976 1.00 10.00 C ATOM 148 O CYS A 11 10.528 16.587 -0.136 1.00 10.00 O ATOM 149 CB CYS A 11 11.624 16.739 -2.746 1.00 10.00 C ATOM 150 SG CYS A 11 11.903 17.214 -4.491 1.00 10.00 S ATOM 0 H CYS A 11 9.018 17.758 -2.439 1.00 10.00 H new ATOM 0 HA CYS A 11 10.288 15.130 -3.003 1.00 10.00 H new ATOM 0 HB2 CYS A 11 11.713 17.629 -2.123 1.00 10.00 H new ATOM 0 HB3 CYS A 11 12.415 16.055 -2.439 1.00 10.00 H new ATOM 0 HG CYS A 11 13.075 17.763 -4.609 1.00 10.00 H new ATOM 155 N LYS A 12 9.349 14.739 -0.692 1.00 10.00 N ATOM 156 CA LYS A 12 9.445 14.102 0.611 1.00 10.00 C ATOM 157 C LYS A 12 8.756 14.981 1.656 1.00 10.00 C ATOM 158 O LYS A 12 8.325 16.092 1.351 1.00 10.00 O ATOM 159 CB LYS A 12 10.904 13.780 0.943 1.00 10.00 C ATOM 160 CG LYS A 12 11.150 12.270 0.926 1.00 10.00 C ATOM 161 CD LYS A 12 10.992 11.704 -0.487 1.00 10.00 C ATOM 162 CE LYS A 12 11.691 10.350 -0.617 1.00 10.00 C ATOM 163 NZ LYS A 12 11.722 9.916 -2.031 1.00 10.00 N ATOM 0 H LYS A 12 8.705 14.287 -1.342 1.00 10.00 H new ATOM 0 HA LYS A 12 8.924 13.145 0.607 1.00 10.00 H new ATOM 0 HB2 LYS A 12 11.561 14.267 0.222 1.00 10.00 H new ATOM 0 HB3 LYS A 12 11.154 14.182 1.925 1.00 10.00 H new ATOM 0 HG2 LYS A 12 12.153 12.057 1.297 1.00 10.00 H new ATOM 0 HG3 LYS A 12 10.450 11.776 1.600 1.00 10.00 H new ATOM 0 HD2 LYS A 12 9.933 11.595 -0.722 1.00 10.00 H new ATOM 0 HD3 LYS A 12 11.409 12.404 -1.211 1.00 10.00 H new ATOM 0 HE2 LYS A 12 12.707 10.420 -0.230 1.00 10.00 H new ATOM 0 HE3 LYS A 12 11.171 9.606 -0.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 12.060 8.934 -2.085 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 10.765 9.976 -2.434 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 12.363 10.533 -2.569 1.00 10.00 H new ATOM 176 N LEU A 13 8.674 14.450 2.867 1.00 10.00 N ATOM 177 CA LEU A 13 7.771 14.999 3.865 1.00 10.00 C ATOM 178 C LEU A 13 8.452 14.968 5.235 1.00 10.00 C ATOM 179 O LEU A 13 8.429 13.948 5.921 1.00 10.00 O ATOM 180 CB LEU A 13 6.426 14.269 3.830 1.00 10.00 C ATOM 181 CG LEU A 13 5.352 14.798 4.782 1.00 10.00 C ATOM 182 CD1 LEU A 13 5.189 16.312 4.639 1.00 10.00 C ATOM 183 CD2 LEU A 13 4.028 14.057 4.580 1.00 10.00 C ATOM 0 H LEU A 13 9.218 13.646 3.180 1.00 10.00 H new ATOM 0 HA LEU A 13 7.547 16.043 3.643 1.00 10.00 H new ATOM 0 HB2 LEU A 13 6.037 14.315 2.813 1.00 10.00 H new ATOM 0 HB3 LEU A 13 6.600 13.217 4.058 1.00 10.00 H new ATOM 0 HG LEU A 13 5.677 14.605 5.804 1.00 10.00 H new ATOM 0 HD11 LEU A 13 4.419 16.662 5.327 1.00 10.00 H new ATOM 0 HD12 LEU A 13 6.134 16.803 4.871 1.00 10.00 H new ATOM 0 HD13 LEU A 13 4.897 16.552 3.616 1.00 10.00 H new ATOM 0 HD21 LEU A 13 3.281 14.452 5.269 1.00 10.00 H new ATOM 0 HD22 LEU A 13 3.686 14.197 3.555 1.00 10.00 H new ATOM 0 HD23 LEU A 13 4.173 12.994 4.773 1.00 10.00 H new ATOM 195 N SER A 14 9.042 16.100 5.592 1.00 10.00 N ATOM 196 CA SER A 14 9.902 16.158 6.762 1.00 10.00 C ATOM 197 C SER A 14 9.063 16.032 8.035 1.00 10.00 C ATOM 198 O SER A 14 8.458 17.005 8.483 1.00 10.00 O ATOM 199 CB SER A 14 10.712 17.456 6.786 1.00 10.00 C ATOM 200 OG SER A 14 11.647 17.522 5.713 1.00 10.00 O ATOM 0 H SER A 14 8.941 16.983 5.092 1.00 10.00 H new ATOM 0 HA SER A 14 10.603 15.325 6.713 1.00 10.00 H new ATOM 0 HB2 SER A 14 10.034 18.307 6.729 1.00 10.00 H new ATOM 0 HB3 SER A 14 11.243 17.534 7.735 1.00 10.00 H new ATOM 0 HG SER A 14 12.143 18.366 5.763 1.00 10.00 H new ATOM 206 N CYS A 15 9.054 14.825 8.582 1.00 10.00 N ATOM 207 CA CYS A 15 8.396 14.586 9.856 1.00 10.00 C ATOM 208 C CYS A 15 9.273 15.169 10.966 1.00 10.00 C ATOM 209 O CYS A 15 10.499 15.135 10.876 1.00 10.00 O ATOM 210 CB CYS A 15 8.112 13.099 10.075 1.00 10.00 C ATOM 211 SG CYS A 15 9.600 12.038 10.163 1.00 10.00 S ATOM 0 H CYS A 15 9.491 14.002 8.167 1.00 10.00 H new ATOM 0 HA CYS A 15 7.424 15.080 9.865 1.00 10.00 H new ATOM 0 HB2 CYS A 15 7.546 12.984 10.999 1.00 10.00 H new ATOM 0 HB3 CYS A 15 7.476 12.742 9.265 1.00 10.00 H new ATOM 216 N VAL A 16 8.610 15.692 11.987 1.00 10.00 N ATOM 217 CA VAL A 16 9.307 16.147 13.178 1.00 10.00 C ATOM 218 C VAL A 16 8.958 15.228 14.351 1.00 10.00 C ATOM 219 O VAL A 16 9.545 15.338 15.426 1.00 10.00 O ATOM 220 CB VAL A 16 8.975 17.616 13.449 1.00 10.00 C ATOM 221 CG1 VAL A 16 9.425 18.503 12.286 1.00 10.00 C ATOM 222 CG2 VAL A 16 7.483 17.797 13.733 1.00 10.00 C ATOM 0 H VAL A 16 7.597 15.811 12.014 1.00 10.00 H new ATOM 0 HA VAL A 16 10.386 16.093 13.033 1.00 10.00 H new ATOM 0 HB VAL A 16 9.524 17.926 14.338 1.00 10.00 H new ATOM 0 HG11 VAL A 16 9.177 19.542 12.504 1.00 10.00 H new ATOM 0 HG12 VAL A 16 10.502 18.407 12.151 1.00 10.00 H new ATOM 0 HG13 VAL A 16 8.916 18.192 11.373 1.00 10.00 H new ATOM 0 HG21 VAL A 16 7.274 18.850 13.922 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.905 17.461 12.872 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.205 17.209 14.608 1.00 10.00 H new ATOM 232 N ALA A 17 8.003 14.344 14.104 1.00 10.00 N ATOM 233 CA ALA A 17 7.463 13.509 15.164 1.00 10.00 C ATOM 234 C ALA A 17 6.555 12.440 14.553 1.00 10.00 C ATOM 235 O ALA A 17 6.109 12.575 13.415 1.00 10.00 O ATOM 236 CB ALA A 17 6.729 14.386 16.180 1.00 10.00 C ATOM 0 H ALA A 17 7.589 14.187 13.185 1.00 10.00 H new ATOM 0 HA ALA A 17 8.265 12.996 15.695 1.00 10.00 H new ATOM 0 HB1 ALA A 17 6.324 13.760 16.975 1.00 10.00 H new ATOM 0 HB2 ALA A 17 7.424 15.109 16.606 1.00 10.00 H new ATOM 0 HB3 ALA A 17 5.915 14.914 15.684 1.00 10.00 H new ATOM 242 N ASN A 18 6.308 11.401 15.337 1.00 10.00 N ATOM 243 CA ASN A 18 5.560 10.255 14.848 1.00 10.00 C ATOM 244 C ASN A 18 4.077 10.622 14.757 1.00 10.00 C ATOM 245 O ASN A 18 3.397 10.240 13.806 1.00 10.00 O ATOM 246 CB ASN A 18 5.695 9.063 15.797 1.00 10.00 C ATOM 247 CG ASN A 18 7.061 8.392 15.643 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.347 7.725 14.662 1.00 10.00 O ATOM 249 ND2 ASN A 18 7.887 8.604 16.664 1.00 10.00 N ATOM 0 H ASN A 18 6.613 11.329 16.308 1.00 10.00 H new ATOM 0 HA ASN A 18 5.959 9.984 13.870 1.00 10.00 H new ATOM 0 HB2 ASN A 18 5.564 9.396 16.826 1.00 10.00 H new ATOM 0 HB3 ASN A 18 4.905 8.340 15.593 1.00 10.00 H new ATOM 0 HD21 ASN A 18 8.823 8.198 16.656 1.00 10.00 H new ATOM 0 HD22 ASN A 18 7.585 9.173 17.455 1.00 10.00 H new ATOM 256 N ASN A 19 3.620 11.357 15.760 1.00 10.00 N ATOM 257 CA ASN A 19 2.238 11.805 15.790 1.00 10.00 C ATOM 258 C ASN A 19 1.999 12.783 14.637 1.00 10.00 C ATOM 259 O ASN A 19 0.928 12.786 14.033 1.00 10.00 O ATOM 260 CB ASN A 19 1.922 12.531 17.099 1.00 10.00 C ATOM 261 CG ASN A 19 2.930 13.652 17.362 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.061 13.424 17.757 1.00 10.00 O ATOM 263 ND2 ASN A 19 2.457 14.871 17.121 1.00 10.00 N ATOM 0 H ASN A 19 4.182 11.654 16.558 1.00 10.00 H new ATOM 0 HA ASN A 19 1.597 10.928 15.701 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.915 12.946 17.055 1.00 10.00 H new ATOM 0 HB3 ASN A 19 1.938 11.821 17.926 1.00 10.00 H new ATOM 0 HD21 ASN A 19 3.052 15.687 17.266 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.499 14.990 16.791 1.00 10.00 H new ATOM 270 N TYR A 20 3.015 13.590 14.368 1.00 10.00 N ATOM 271 CA TYR A 20 2.929 14.571 13.300 1.00 10.00 C ATOM 272 C TYR A 20 2.829 13.887 11.935 1.00 10.00 C ATOM 273 O TYR A 20 2.099 14.346 11.058 1.00 10.00 O ATOM 274 CB TYR A 20 4.229 15.375 13.360 1.00 10.00 C ATOM 275 CG TYR A 20 4.391 16.382 12.219 1.00 10.00 C ATOM 276 CD1 TYR A 20 4.979 15.992 11.033 1.00 10.00 C ATOM 277 CD2 TYR A 20 3.950 17.680 12.377 1.00 10.00 C ATOM 278 CE1 TYR A 20 5.131 16.940 9.960 1.00 10.00 C ATOM 279 CE2 TYR A 20 4.102 18.628 11.303 1.00 10.00 C ATOM 280 CZ TYR A 20 4.686 18.211 10.148 1.00 10.00 C ATOM 281 OH TYR A 20 4.830 19.106 9.134 1.00 10.00 O ATOM 0 H TYR A 20 3.902 13.584 14.871 1.00 10.00 H new ATOM 0 HA TYR A 20 2.045 15.196 13.423 1.00 10.00 H new ATOM 0 HB2 TYR A 20 4.271 15.908 14.310 1.00 10.00 H new ATOM 0 HB3 TYR A 20 5.072 14.685 13.344 1.00 10.00 H new ATOM 0 HD1 TYR A 20 5.325 14.976 10.910 1.00 10.00 H new ATOM 0 HD2 TYR A 20 3.491 17.985 13.306 1.00 10.00 H new ATOM 0 HE1 TYR A 20 5.588 16.648 9.026 1.00 10.00 H new ATOM 0 HE2 TYR A 20 3.760 19.647 11.413 1.00 10.00 H new ATOM 0 HH TYR A 20 4.466 19.973 9.409 1.00 10.00 H new ATOM 291 N CYS A 21 3.574 12.800 11.797 1.00 10.00 N ATOM 292 CA CYS A 21 3.502 11.991 10.593 1.00 10.00 C ATOM 293 C CYS A 21 2.118 11.341 10.532 1.00 10.00 C ATOM 294 O CYS A 21 1.403 11.488 9.542 1.00 10.00 O ATOM 295 CB CYS A 21 4.623 10.950 10.542 1.00 10.00 C ATOM 296 SG CYS A 21 4.441 9.689 9.229 1.00 10.00 S ATOM 0 H CYS A 21 4.231 12.461 12.500 1.00 10.00 H new ATOM 0 HA CYS A 21 3.644 12.625 9.718 1.00 10.00 H new ATOM 0 HB2 CYS A 21 5.573 11.466 10.401 1.00 10.00 H new ATOM 0 HB3 CYS A 21 4.675 10.445 11.507 1.00 10.00 H new ATOM 301 N ASP A 22 1.782 10.638 11.603 1.00 10.00 N ATOM 302 CA ASP A 22 0.718 9.650 11.546 1.00 10.00 C ATOM 303 C ASP A 22 -0.599 10.346 11.195 1.00 10.00 C ATOM 304 O ASP A 22 -1.322 9.899 10.306 1.00 10.00 O ATOM 305 CB ASP A 22 0.539 8.955 12.897 1.00 10.00 C ATOM 306 CG ASP A 22 -0.457 7.794 12.900 1.00 10.00 C ATOM 307 OD1 ASP A 22 -1.329 7.702 13.777 1.00 10.00 O ATOM 308 OD2 ASP A 22 -0.311 6.948 11.938 1.00 10.00 O ATOM 0 H ASP A 22 2.228 10.733 12.516 1.00 10.00 H new ATOM 0 HA ASP A 22 0.985 8.910 10.792 1.00 10.00 H new ATOM 0 HB2 ASP A 22 1.508 8.583 13.229 1.00 10.00 H new ATOM 0 HB3 ASP A 22 0.214 9.695 13.629 1.00 10.00 H new ATOM 314 N ASN A 23 -0.870 11.427 11.910 1.00 10.00 N ATOM 315 CA ASN A 23 -2.131 12.131 11.755 1.00 10.00 C ATOM 316 C ASN A 23 -2.205 12.731 10.349 1.00 10.00 C ATOM 317 O ASN A 23 -3.290 12.865 9.784 1.00 10.00 O ATOM 318 CB ASN A 23 -2.253 13.274 12.764 1.00 10.00 C ATOM 319 CG ASN A 23 -1.651 14.565 12.205 1.00 10.00 C ATOM 320 OD1 ASN A 23 -2.342 15.437 11.704 1.00 10.00 O ATOM 321 ND2 ASN A 23 -0.328 14.639 12.318 1.00 10.00 N ATOM 0 H ASN A 23 -0.237 11.833 12.599 1.00 10.00 H new ATOM 0 HA ASN A 23 -2.938 11.417 11.921 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -3.302 13.435 13.011 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -1.745 13.003 13.690 1.00 10.00 H new ATOM 0 HD21 ASN A 23 0.168 15.462 11.975 1.00 10.00 H new ATOM 0 HD22 ASN A 23 0.191 13.873 12.748 1.00 10.00 H new ATOM 328 N GLN A 24 -1.038 13.077 9.826 1.00 10.00 N ATOM 329 CA GLN A 24 -0.965 13.750 8.540 1.00 10.00 C ATOM 330 C GLN A 24 -1.089 12.736 7.402 1.00 10.00 C ATOM 331 O GLN A 24 -1.620 13.054 6.338 1.00 10.00 O ATOM 332 CB GLN A 24 0.329 14.557 8.418 1.00 10.00 C ATOM 333 CG GLN A 24 0.373 15.325 7.095 1.00 10.00 C ATOM 334 CD GLN A 24 1.330 16.516 7.184 1.00 10.00 C ATOM 335 OE1 GLN A 24 0.947 17.665 7.038 1.00 10.00 O ATOM 336 NE2 GLN A 24 2.592 16.178 7.432 1.00 10.00 N ATOM 0 H GLN A 24 -0.136 12.904 10.269 1.00 10.00 H new ATOM 0 HA GLN A 24 -1.799 14.449 8.469 1.00 10.00 H new ATOM 0 HB2 GLN A 24 0.406 15.256 9.251 1.00 10.00 H new ATOM 0 HB3 GLN A 24 1.187 13.888 8.483 1.00 10.00 H new ATOM 0 HG2 GLN A 24 0.690 14.658 6.294 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -0.627 15.676 6.840 1.00 10.00 H new ATOM 0 HE21 GLN A 24 2.844 15.196 7.543 1.00 10.00 H new ATOM 0 HE22 GLN A 24 3.307 16.901 7.511 1.00 10.00 H new ATOM 345 N CYS A 25 -0.591 11.537 7.663 1.00 10.00 N ATOM 346 CA CYS A 25 -0.666 10.466 6.684 1.00 10.00 C ATOM 347 C CYS A 25 -2.126 10.020 6.571 1.00 10.00 C ATOM 348 O CYS A 25 -2.659 9.905 5.469 1.00 10.00 O ATOM 349 CB CYS A 25 0.259 9.302 7.047 1.00 10.00 C ATOM 350 SG CYS A 25 2.046 9.680 6.937 1.00 10.00 S ATOM 0 H CYS A 25 -0.134 11.283 8.539 1.00 10.00 H new ATOM 0 HA CYS A 25 -0.322 10.830 5.716 1.00 10.00 H new ATOM 0 HB2 CYS A 25 0.032 8.979 8.063 1.00 10.00 H new ATOM 0 HB3 CYS A 25 0.038 8.462 6.389 1.00 10.00 H new ATOM 355 N LYS A 26 -2.730 9.783 7.726 1.00 10.00 N ATOM 356 CA LYS A 26 -4.046 9.169 7.770 1.00 10.00 C ATOM 357 C LYS A 26 -5.097 10.194 7.337 1.00 10.00 C ATOM 358 O LYS A 26 -6.244 9.838 7.073 1.00 10.00 O ATOM 359 CB LYS A 26 -4.310 8.564 9.150 1.00 10.00 C ATOM 360 CG LYS A 26 -4.741 9.641 10.148 1.00 10.00 C ATOM 361 CD LYS A 26 -5.088 9.024 11.504 1.00 10.00 C ATOM 362 CE LYS A 26 -3.858 8.376 12.143 1.00 10.00 C ATOM 363 NZ LYS A 26 -4.086 8.143 13.587 1.00 10.00 N ATOM 0 H LYS A 26 -2.332 10.005 8.639 1.00 10.00 H new ATOM 0 HA LYS A 26 -4.102 8.338 7.067 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -5.086 7.802 9.074 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -3.410 8.068 9.512 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -3.940 10.370 10.270 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -5.605 10.179 9.757 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -5.484 9.793 12.167 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -5.872 8.278 11.378 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -3.638 7.431 11.646 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -2.988 9.018 12.005 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -3.183 7.913 14.048 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -4.486 9.001 14.018 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.750 7.352 13.710 1.00 10.00 H new ATOM 376 N MET A 27 -4.666 11.446 7.278 1.00 10.00 N ATOM 377 CA MET A 27 -5.563 12.528 6.911 1.00 10.00 C ATOM 378 C MET A 27 -6.300 12.212 5.608 1.00 10.00 C ATOM 379 O MET A 27 -7.464 12.574 5.445 1.00 10.00 O ATOM 380 CB MET A 27 -4.761 13.821 6.743 1.00 10.00 C ATOM 381 CG MET A 27 -5.689 15.015 6.509 1.00 10.00 C ATOM 382 SD MET A 27 -4.853 16.531 6.942 1.00 10.00 S ATOM 383 CE MET A 27 -3.616 16.582 5.656 1.00 10.00 C ATOM 0 H MET A 27 -3.708 11.735 7.478 1.00 10.00 H new ATOM 0 HA MET A 27 -6.301 12.647 7.704 1.00 10.00 H new ATOM 0 HB2 MET A 27 -4.155 13.995 7.632 1.00 10.00 H new ATOM 0 HB3 MET A 27 -4.073 13.720 5.903 1.00 10.00 H new ATOM 0 HG2 MET A 27 -5.999 15.046 5.464 1.00 10.00 H new ATOM 0 HG3 MET A 27 -6.594 14.905 7.107 1.00 10.00 H new ATOM 0 HE1 MET A 27 -3.082 17.531 5.702 1.00 10.00 H new ATOM 0 HE2 MET A 27 -2.911 15.762 5.796 1.00 10.00 H new ATOM 0 HE3 MET A 27 -4.098 16.483 4.683 1.00 10.00 H new ATOM 393 N LYS A 28 -5.591 11.540 4.712 1.00 10.00 N ATOM 394 CA LYS A 28 -6.129 11.255 3.393 1.00 10.00 C ATOM 395 C LYS A 28 -5.220 10.250 2.683 1.00 10.00 C ATOM 396 O LYS A 28 -5.697 9.266 2.120 1.00 10.00 O ATOM 397 CB LYS A 28 -6.344 12.552 2.610 1.00 10.00 C ATOM 398 CG LYS A 28 -5.043 13.352 2.508 1.00 10.00 C ATOM 399 CD LYS A 28 -5.320 14.796 2.086 1.00 10.00 C ATOM 400 CE LYS A 28 -4.015 15.572 1.899 1.00 10.00 C ATOM 401 NZ LYS A 28 -3.437 15.300 0.564 1.00 10.00 N ATOM 0 H LYS A 28 -4.649 11.185 4.874 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.113 10.793 3.474 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.713 12.321 1.611 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.108 13.155 3.100 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.529 13.342 3.469 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.377 12.880 1.786 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.889 14.804 1.156 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.935 15.288 2.840 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.201 16.640 2.010 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.303 15.290 2.674 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.552 15.834 0.454 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.241 14.283 0.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.111 15.591 -0.172 1.00 10.00 H new ATOM 414 N LYS A 29 -3.926 10.534 2.732 1.00 10.00 N ATOM 415 CA LYS A 29 -2.966 9.787 1.937 1.00 10.00 C ATOM 416 C LYS A 29 -3.111 8.294 2.239 1.00 10.00 C ATOM 417 O LYS A 29 -3.193 7.478 1.323 1.00 10.00 O ATOM 418 CB LYS A 29 -1.552 10.325 2.161 1.00 10.00 C ATOM 419 CG LYS A 29 -1.332 11.629 1.391 1.00 10.00 C ATOM 420 CD LYS A 29 -0.917 11.349 -0.054 1.00 10.00 C ATOM 421 CE LYS A 29 -1.344 12.492 -0.979 1.00 10.00 C ATOM 422 NZ LYS A 29 -0.630 13.739 -0.625 1.00 10.00 N ATOM 0 H LYS A 29 -3.521 11.271 3.310 1.00 10.00 H new ATOM 0 HA LYS A 29 -3.168 9.918 0.874 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.388 10.495 3.225 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -0.822 9.582 1.841 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -2.247 12.221 1.402 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -0.563 12.222 1.886 1.00 10.00 H new ATOM 0 HD2 LYS A 29 0.164 11.218 -0.107 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -1.368 10.416 -0.391 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -1.134 12.227 -2.015 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -2.420 12.648 -0.902 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -1.320 14.500 -0.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -0.072 13.586 0.239 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 0.004 14.009 -1.404 1.00 10.00 H new ATOM 435 N ALA A 30 -3.139 7.983 3.526 1.00 10.00 N ATOM 436 CA ALA A 30 -2.831 6.637 3.978 1.00 10.00 C ATOM 437 C ALA A 30 -3.808 6.240 5.086 1.00 10.00 C ATOM 438 O ALA A 30 -4.771 6.956 5.355 1.00 10.00 O ATOM 439 CB ALA A 30 -1.372 6.572 4.435 1.00 10.00 C ATOM 0 H ALA A 30 -3.370 8.640 4.271 1.00 10.00 H new ATOM 0 HA ALA A 30 -2.949 5.922 3.163 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -1.142 5.562 4.774 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -0.718 6.834 3.603 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -1.216 7.274 5.254 1.00 10.00 H new ATOM 445 N SER A 31 -3.525 5.100 5.700 1.00 10.00 N ATOM 446 CA SER A 31 -4.249 4.693 6.892 1.00 10.00 C ATOM 447 C SER A 31 -3.491 5.140 8.144 1.00 10.00 C ATOM 448 O SER A 31 -4.098 5.396 9.182 1.00 10.00 O ATOM 449 CB SER A 31 -4.464 3.178 6.915 1.00 10.00 C ATOM 450 OG SER A 31 -3.266 2.464 6.620 1.00 10.00 O ATOM 0 H SER A 31 -2.805 4.446 5.394 1.00 10.00 H new ATOM 0 HA SER A 31 -5.228 5.172 6.877 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.832 2.879 7.896 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.233 2.910 6.191 1.00 10.00 H new ATOM 0 HG SER A 31 -2.498 3.069 6.693 1.00 10.00 H new ATOM 456 N GLY A 32 -2.176 5.219 8.003 1.00 10.00 N ATOM 457 CA GLY A 32 -1.327 5.609 9.116 1.00 10.00 C ATOM 458 C GLY A 32 0.054 6.049 8.625 1.00 10.00 C ATOM 459 O GLY A 32 0.265 6.216 7.424 1.00 10.00 O ATOM 0 H GLY A 32 -1.678 5.020 7.136 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.797 6.423 9.668 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -1.222 4.773 9.808 1.00 10.00 H new ATOM 463 N GLY A 33 0.958 6.223 9.577 1.00 10.00 N ATOM 464 CA GLY A 33 2.356 6.447 9.250 1.00 10.00 C ATOM 465 C GLY A 33 3.205 6.553 10.518 1.00 10.00 C ATOM 466 O GLY A 33 2.671 6.691 11.618 1.00 10.00 O ATOM 0 H GLY A 33 0.750 6.213 10.575 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.723 5.630 8.629 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.454 7.361 8.665 1.00 10.00 H new ATOM 470 N HIS A 34 4.514 6.485 10.323 1.00 10.00 N ATOM 471 CA HIS A 34 5.447 6.768 11.400 1.00 10.00 C ATOM 472 C HIS A 34 6.621 7.588 10.859 1.00 10.00 C ATOM 473 O HIS A 34 6.833 7.651 9.649 1.00 10.00 O ATOM 474 CB HIS A 34 5.893 5.476 12.086 1.00 10.00 C ATOM 475 CG HIS A 34 4.779 4.737 12.787 1.00 10.00 C ATOM 476 ND1 HIS A 34 4.013 5.308 13.788 1.00 10.00 N ATOM 477 CD2 HIS A 34 4.308 3.467 12.620 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.126 4.414 14.199 1.00 10.00 C ATOM 479 NE2 HIS A 34 3.311 3.274 13.474 1.00 10.00 N ATOM 0 H HIS A 34 4.950 6.238 9.435 1.00 10.00 H new ATOM 0 HA HIS A 34 4.953 7.366 12.166 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.340 4.817 11.342 1.00 10.00 H new ATOM 0 HB3 HIS A 34 6.671 5.712 12.812 1.00 10.00 H new ATOM 0 HD2 HIS A 34 4.683 2.742 11.913 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.387 4.562 14.972 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.771 2.414 13.572 1.00 10.00 H new ATOM 487 N CYS A 35 7.352 8.195 11.782 1.00 10.00 N ATOM 488 CA CYS A 35 8.368 9.166 11.413 1.00 10.00 C ATOM 489 C CYS A 35 9.702 8.431 11.263 1.00 10.00 C ATOM 490 O CYS A 35 10.285 7.987 12.250 1.00 10.00 O ATOM 491 CB CYS A 35 8.456 10.307 12.429 1.00 10.00 C ATOM 492 SG CYS A 35 9.783 11.524 12.103 1.00 10.00 S ATOM 0 H CYS A 35 7.261 8.033 12.785 1.00 10.00 H new ATOM 0 HA CYS A 35 8.102 9.632 10.464 1.00 10.00 H new ATOM 0 HB2 CYS A 35 7.500 10.830 12.451 1.00 10.00 H new ATOM 0 HB3 CYS A 35 8.609 9.881 13.421 1.00 10.00 H new ATOM 497 N TYR A 36 10.146 8.326 10.019 1.00 10.00 N ATOM 498 CA TYR A 36 11.493 7.858 9.742 1.00 10.00 C ATOM 499 C TYR A 36 12.423 9.027 9.414 1.00 10.00 C ATOM 500 O TYR A 36 11.963 10.107 9.048 1.00 10.00 O ATOM 501 CB TYR A 36 11.380 6.951 8.515 1.00 10.00 C ATOM 502 CG TYR A 36 12.441 5.850 8.456 1.00 10.00 C ATOM 503 CD1 TYR A 36 12.418 4.819 9.374 1.00 10.00 C ATOM 504 CD2 TYR A 36 13.420 5.887 7.485 1.00 10.00 C ATOM 505 CE1 TYR A 36 13.416 3.783 9.318 1.00 10.00 C ATOM 506 CE2 TYR A 36 14.419 4.850 7.429 1.00 10.00 C ATOM 507 CZ TYR A 36 14.367 3.849 8.348 1.00 10.00 C ATOM 508 OH TYR A 36 15.310 2.870 8.296 1.00 10.00 O ATOM 0 H TYR A 36 9.596 8.557 9.191 1.00 10.00 H new ATOM 0 HA TYR A 36 11.905 7.340 10.608 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.392 6.490 8.506 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.455 7.562 7.616 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.651 4.790 10.134 1.00 10.00 H new ATOM 0 HD2 TYR A 36 13.438 6.693 6.767 1.00 10.00 H new ATOM 0 HE1 TYR A 36 13.410 2.971 10.030 1.00 10.00 H new ATOM 0 HE2 TYR A 36 15.191 4.867 6.674 1.00 10.00 H new ATOM 0 HH TYR A 36 15.923 3.046 7.552 1.00 10.00 H new ATOM 518 N ALA A 37 13.716 8.771 9.556 1.00 10.00 N ATOM 519 CA ALA A 37 14.703 9.834 9.467 1.00 10.00 C ATOM 520 C ALA A 37 14.574 10.531 8.111 1.00 10.00 C ATOM 521 O ALA A 37 14.832 11.728 7.998 1.00 10.00 O ATOM 522 CB ALA A 37 16.100 9.253 9.693 1.00 10.00 C ATOM 0 H ALA A 37 14.102 7.844 9.732 1.00 10.00 H new ATOM 0 HA ALA A 37 14.532 10.583 10.240 1.00 10.00 H new ATOM 0 HB1 ALA A 37 16.841 10.050 9.626 1.00 10.00 H new ATOM 0 HB2 ALA A 37 16.148 8.795 10.681 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.308 8.500 8.933 1.00 10.00 H new ATOM 528 N MET A 38 14.175 9.752 7.116 1.00 10.00 N ATOM 529 CA MET A 38 14.066 10.266 5.761 1.00 10.00 C ATOM 530 C MET A 38 12.851 11.185 5.619 1.00 10.00 C ATOM 531 O MET A 38 12.942 12.250 5.012 1.00 10.00 O ATOM 532 CB MET A 38 13.940 9.097 4.781 1.00 10.00 C ATOM 533 CG MET A 38 15.236 8.287 4.725 1.00 10.00 C ATOM 534 SD MET A 38 14.975 6.781 3.802 1.00 10.00 S ATOM 535 CE MET A 38 16.589 6.036 3.962 1.00 10.00 C ATOM 0 H MET A 38 13.923 8.769 7.221 1.00 10.00 H new ATOM 0 HA MET A 38 14.963 10.844 5.538 1.00 10.00 H new ATOM 0 HB2 MET A 38 13.116 8.451 5.084 1.00 10.00 H new ATOM 0 HB3 MET A 38 13.700 9.475 3.787 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.024 8.878 4.258 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.571 8.051 5.735 1.00 10.00 H new ATOM 0 HE1 MET A 38 16.602 5.080 3.439 1.00 10.00 H new ATOM 0 HE2 MET A 38 17.339 6.697 3.528 1.00 10.00 H new ATOM 0 HE3 MET A 38 16.813 5.876 5.017 1.00 10.00 H new ATOM 545 N SER A 39 11.742 10.739 6.190 1.00 10.00 N ATOM 546 CA SER A 39 10.474 11.421 5.996 1.00 10.00 C ATOM 547 C SER A 39 9.362 10.682 6.744 1.00 10.00 C ATOM 548 O SER A 39 9.596 9.620 7.319 1.00 10.00 O ATOM 549 CB SER A 39 10.130 11.531 4.509 1.00 10.00 C ATOM 550 OG SER A 39 10.502 12.796 3.968 1.00 10.00 O ATOM 0 H SER A 39 11.695 9.913 6.787 1.00 10.00 H new ATOM 0 HA SER A 39 10.564 12.431 6.397 1.00 10.00 H new ATOM 0 HB2 SER A 39 10.638 10.738 3.960 1.00 10.00 H new ATOM 0 HB3 SER A 39 9.059 11.379 4.372 1.00 10.00 H new ATOM 0 HG SER A 39 11.440 12.981 4.185 1.00 10.00 H new ATOM 556 N CYS A 40 8.177 11.273 6.711 1.00 10.00 N ATOM 557 CA CYS A 40 6.982 10.580 7.163 1.00 10.00 C ATOM 558 C CYS A 40 6.800 9.327 6.304 1.00 10.00 C ATOM 559 O CYS A 40 6.402 9.419 5.144 1.00 10.00 O ATOM 560 CB CYS A 40 5.751 11.487 7.119 1.00 10.00 C ATOM 561 SG CYS A 40 4.168 10.651 7.498 1.00 10.00 S ATOM 0 H CYS A 40 8.018 12.224 6.378 1.00 10.00 H new ATOM 0 HA CYS A 40 7.100 10.289 8.207 1.00 10.00 H new ATOM 0 HB2 CYS A 40 5.893 12.303 7.827 1.00 10.00 H new ATOM 0 HB3 CYS A 40 5.681 11.934 6.127 1.00 10.00 H new ATOM 566 N TYR A 41 7.099 8.186 6.907 1.00 10.00 N ATOM 567 CA TYR A 41 6.814 6.909 6.276 1.00 10.00 C ATOM 568 C TYR A 41 5.338 6.538 6.432 1.00 10.00 C ATOM 569 O TYR A 41 4.930 6.019 7.470 1.00 10.00 O ATOM 570 CB TYR A 41 7.668 5.875 7.012 1.00 10.00 C ATOM 571 CG TYR A 41 7.540 4.454 6.458 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.146 4.123 5.263 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.820 3.504 7.153 1.00 10.00 C ATOM 574 CE1 TYR A 41 8.026 2.786 4.741 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.700 2.167 6.631 1.00 10.00 C ATOM 576 CZ TYR A 41 7.309 1.874 5.451 1.00 10.00 C ATOM 577 OH TYR A 41 7.196 0.612 4.958 1.00 10.00 O ATOM 0 H TYR A 41 7.536 8.119 7.826 1.00 10.00 H new ATOM 0 HA TYR A 41 7.034 6.950 5.209 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.713 6.181 6.962 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.387 5.870 8.065 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.710 4.866 4.719 1.00 10.00 H new ATOM 0 HD2 TYR A 41 6.346 3.763 8.088 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.495 2.514 3.807 1.00 10.00 H new ATOM 0 HE2 TYR A 41 6.139 1.414 7.165 1.00 10.00 H new ATOM 0 HH TYR A 41 6.657 0.069 5.570 1.00 10.00 H new ATOM 587 N CYS A 42 4.576 6.818 5.384 1.00 10.00 N ATOM 588 CA CYS A 42 3.132 6.674 5.448 1.00 10.00 C ATOM 589 C CYS A 42 2.775 5.236 5.068 1.00 10.00 C ATOM 590 O CYS A 42 3.508 4.586 4.324 1.00 10.00 O ATOM 591 CB CYS A 42 2.422 7.694 4.556 1.00 10.00 C ATOM 592 SG CYS A 42 2.628 9.438 5.069 1.00 10.00 S ATOM 0 H CYS A 42 4.932 7.144 4.486 1.00 10.00 H new ATOM 0 HA CYS A 42 2.788 6.876 6.463 1.00 10.00 H new ATOM 0 HB2 CYS A 42 2.792 7.584 3.537 1.00 10.00 H new ATOM 0 HB3 CYS A 42 1.358 7.459 4.536 1.00 10.00 H new ATOM 597 N GLU A 43 1.648 4.780 5.595 1.00 10.00 N ATOM 598 CA GLU A 43 1.373 3.355 5.656 1.00 10.00 C ATOM 599 C GLU A 43 -0.072 3.075 5.239 1.00 10.00 C ATOM 600 O GLU A 43 -1.008 3.610 5.831 1.00 10.00 O ATOM 601 CB GLU A 43 1.656 2.801 7.054 1.00 10.00 C ATOM 602 CG GLU A 43 3.161 2.754 7.330 1.00 10.00 C ATOM 603 CD GLU A 43 3.441 2.314 8.769 1.00 10.00 C ATOM 604 OE1 GLU A 43 3.346 3.132 9.696 1.00 10.00 O ATOM 605 OE2 GLU A 43 3.766 1.074 8.906 1.00 10.00 O ATOM 0 H GLU A 43 0.915 5.373 5.984 1.00 10.00 H new ATOM 0 HA GLU A 43 2.038 2.847 4.958 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.165 3.423 7.802 1.00 10.00 H new ATOM 0 HB3 GLU A 43 1.234 1.800 7.145 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.640 2.064 6.635 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.597 3.737 7.155 1.00 10.00 H new ATOM 613 N GLY A 44 -0.209 2.237 4.222 1.00 10.00 N ATOM 614 CA GLY A 44 -1.525 1.843 3.748 1.00 10.00 C ATOM 615 C GLY A 44 -2.076 2.863 2.750 1.00 10.00 C ATOM 616 O GLY A 44 -3.149 3.426 2.961 1.00 10.00 O ATOM 0 H GLY A 44 0.570 1.820 3.713 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.467 0.862 3.276 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.207 1.750 4.593 1.00 10.00 H new ATOM 620 N LEU A 45 -1.317 3.070 1.684 1.00 10.00 N ATOM 621 CA LEU A 45 -1.771 3.920 0.596 1.00 10.00 C ATOM 622 C LEU A 45 -2.451 3.058 -0.469 1.00 10.00 C ATOM 623 O LEU A 45 -2.201 1.857 -0.554 1.00 10.00 O ATOM 624 CB LEU A 45 -0.614 4.764 0.058 1.00 10.00 C ATOM 625 CG LEU A 45 -0.044 5.812 1.017 1.00 10.00 C ATOM 626 CD1 LEU A 45 1.127 5.241 1.819 1.00 10.00 C ATOM 627 CD2 LEU A 45 0.342 7.089 0.268 1.00 10.00 C ATOM 0 H LEU A 45 -0.391 2.664 1.550 1.00 10.00 H new ATOM 0 HA LEU A 45 -2.515 4.632 0.953 1.00 10.00 H new ATOM 0 HB2 LEU A 45 0.193 4.093 -0.236 1.00 10.00 H new ATOM 0 HB3 LEU A 45 -0.951 5.272 -0.845 1.00 10.00 H new ATOM 0 HG LEU A 45 -0.822 6.081 1.731 1.00 10.00 H new ATOM 0 HD11 LEU A 45 1.514 6.006 2.493 1.00 10.00 H new ATOM 0 HD12 LEU A 45 0.786 4.384 2.400 1.00 10.00 H new ATOM 0 HD13 LEU A 45 1.916 4.926 1.136 1.00 10.00 H new ATOM 0 HD21 LEU A 45 0.744 7.817 0.973 1.00 10.00 H new ATOM 0 HD22 LEU A 45 1.097 6.856 -0.483 1.00 10.00 H new ATOM 0 HD23 LEU A 45 -0.539 7.505 -0.220 1.00 10.00 H new ATOM 639 N PRO A 46 -3.320 3.723 -1.277 1.00 10.00 N ATOM 640 CA PRO A 46 -3.788 3.133 -2.520 1.00 10.00 C ATOM 641 C PRO A 46 -2.699 3.182 -3.593 1.00 10.00 C ATOM 642 O PRO A 46 -1.796 4.015 -3.529 1.00 10.00 O ATOM 643 CB PRO A 46 -5.026 3.931 -2.893 1.00 10.00 C ATOM 644 CG PRO A 46 -4.942 5.226 -2.102 1.00 10.00 C ATOM 645 CD PRO A 46 -3.880 5.048 -1.029 1.00 10.00 C ATOM 0 HA PRO A 46 -4.029 2.075 -2.419 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -5.055 4.129 -3.964 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -5.934 3.381 -2.646 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -4.686 6.058 -2.758 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -5.906 5.461 -1.650 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -3.114 5.821 -1.098 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -4.311 5.115 -0.030 1.00 10.00 H new ATOM 653 N GLU A 47 -2.820 2.280 -4.556 1.00 10.00 N ATOM 654 CA GLU A 47 -1.700 1.954 -5.422 1.00 10.00 C ATOM 655 C GLU A 47 -1.387 3.129 -6.351 1.00 10.00 C ATOM 656 O GLU A 47 -0.292 3.214 -6.903 1.00 10.00 O ATOM 657 CB GLU A 47 -1.978 0.680 -6.223 1.00 10.00 C ATOM 658 CG GLU A 47 -2.994 0.944 -7.336 1.00 10.00 C ATOM 659 CD GLU A 47 -3.486 -0.367 -7.951 1.00 10.00 C ATOM 660 OE1 GLU A 47 -4.603 -0.813 -7.648 1.00 10.00 O ATOM 661 OE2 GLU A 47 -2.664 -0.927 -8.773 1.00 10.00 O ATOM 0 H GLU A 47 -3.677 1.765 -4.756 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.826 1.767 -4.798 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -1.049 0.307 -6.654 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -2.355 -0.097 -5.558 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -3.840 1.502 -6.936 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -2.540 1.564 -8.109 1.00 10.00 H new ATOM 669 N ASN A 48 -2.370 4.006 -6.495 1.00 10.00 N ATOM 670 CA ASN A 48 -2.269 5.092 -7.454 1.00 10.00 C ATOM 671 C ASN A 48 -1.325 6.164 -6.905 1.00 10.00 C ATOM 672 O ASN A 48 -0.783 6.966 -7.664 1.00 10.00 O ATOM 673 CB ASN A 48 -3.633 5.742 -7.696 1.00 10.00 C ATOM 674 CG ASN A 48 -4.108 6.498 -6.453 1.00 10.00 C ATOM 675 OD1 ASN A 48 -4.678 5.935 -5.533 1.00 10.00 O ATOM 676 ND2 ASN A 48 -3.844 7.801 -6.478 1.00 10.00 N ATOM 0 H ASN A 48 -3.240 3.986 -5.963 1.00 10.00 H new ATOM 0 HA ASN A 48 -1.894 4.681 -8.391 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.568 6.428 -8.541 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.363 4.977 -7.962 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -4.122 8.393 -5.695 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -3.363 8.209 -7.280 1.00 10.00 H new ATOM 683 N ALA A 49 -1.157 6.144 -5.591 1.00 10.00 N ATOM 684 CA ALA A 49 -0.384 7.174 -4.919 1.00 10.00 C ATOM 685 C ALA A 49 1.106 6.849 -5.044 1.00 10.00 C ATOM 686 O ALA A 49 1.546 5.773 -4.641 1.00 10.00 O ATOM 687 CB ALA A 49 -0.837 7.284 -3.462 1.00 10.00 C ATOM 0 H ALA A 49 -1.543 5.430 -4.973 1.00 10.00 H new ATOM 0 HA ALA A 49 -0.550 8.145 -5.385 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -0.257 8.057 -2.958 1.00 10.00 H new ATOM 0 HB2 ALA A 49 -1.895 7.545 -3.429 1.00 10.00 H new ATOM 0 HB3 ALA A 49 -0.683 6.329 -2.960 1.00 10.00 H new ATOM 693 N LYS A 50 1.842 7.799 -5.602 1.00 10.00 N ATOM 694 CA LYS A 50 3.255 7.592 -5.868 1.00 10.00 C ATOM 695 C LYS A 50 4.041 7.731 -4.562 1.00 10.00 C ATOM 696 O LYS A 50 3.981 8.769 -3.905 1.00 10.00 O ATOM 697 CB LYS A 50 3.735 8.531 -6.977 1.00 10.00 C ATOM 698 CG LYS A 50 5.244 8.398 -7.193 1.00 10.00 C ATOM 699 CD LYS A 50 5.598 7.022 -7.761 1.00 10.00 C ATOM 700 CE LYS A 50 7.062 6.971 -8.202 1.00 10.00 C ATOM 701 NZ LYS A 50 7.960 7.146 -7.039 1.00 10.00 N ATOM 0 H LYS A 50 1.486 8.714 -5.877 1.00 10.00 H new ATOM 0 HA LYS A 50 3.429 6.582 -6.240 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.210 8.303 -7.904 1.00 10.00 H new ATOM 0 HB3 LYS A 50 3.491 9.561 -6.717 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.587 9.176 -7.875 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.765 8.550 -6.248 1.00 10.00 H new ATOM 0 HD2 LYS A 50 5.414 6.256 -7.008 1.00 10.00 H new ATOM 0 HD3 LYS A 50 4.951 6.797 -8.609 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.268 6.018 -8.688 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.254 7.752 -8.938 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.910 6.797 -7.278 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.014 8.154 -6.791 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.588 6.609 -6.229 1.00 10.00 H new ATOM 714 N VAL A 51 4.759 6.670 -4.225 1.00 10.00 N ATOM 715 CA VAL A 51 5.618 6.689 -3.053 1.00 10.00 C ATOM 716 C VAL A 51 7.048 6.340 -3.469 1.00 10.00 C ATOM 717 O VAL A 51 7.270 5.801 -4.553 1.00 10.00 O ATOM 718 CB VAL A 51 5.061 5.749 -1.981 1.00 10.00 C ATOM 719 CG1 VAL A 51 3.569 6.000 -1.754 1.00 10.00 C ATOM 720 CG2 VAL A 51 5.323 4.286 -2.345 1.00 10.00 C ATOM 0 H VAL A 51 4.764 5.791 -4.743 1.00 10.00 H new ATOM 0 HA VAL A 51 5.641 7.686 -2.612 1.00 10.00 H new ATOM 0 HB VAL A 51 5.582 5.959 -1.047 1.00 10.00 H new ATOM 0 HG11 VAL A 51 3.198 5.319 -0.988 1.00 10.00 H new ATOM 0 HG12 VAL A 51 3.419 7.029 -1.429 1.00 10.00 H new ATOM 0 HG13 VAL A 51 3.026 5.830 -2.684 1.00 10.00 H new ATOM 0 HG21 VAL A 51 4.917 3.639 -1.567 1.00 10.00 H new ATOM 0 HG22 VAL A 51 4.842 4.056 -3.296 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.397 4.119 -2.432 1.00 10.00 H new ATOM 730 N SER A 52 7.982 6.661 -2.586 1.00 10.00 N ATOM 731 CA SER A 52 9.260 5.969 -2.563 1.00 10.00 C ATOM 732 C SER A 52 9.239 4.868 -1.501 1.00 10.00 C ATOM 733 O SER A 52 8.701 5.061 -0.412 1.00 10.00 O ATOM 734 CB SER A 52 10.409 6.943 -2.295 1.00 10.00 C ATOM 735 OG SER A 52 11.603 6.267 -1.910 1.00 10.00 O ATOM 0 H SER A 52 7.880 7.391 -1.881 1.00 10.00 H new ATOM 0 HA SER A 52 9.423 5.518 -3.542 1.00 10.00 H new ATOM 0 HB2 SER A 52 10.600 7.534 -3.191 1.00 10.00 H new ATOM 0 HB3 SER A 52 10.118 7.640 -1.509 1.00 10.00 H new ATOM 0 HG SER A 52 12.374 6.696 -2.336 1.00 10.00 H new ATOM 741 N ASP A 53 9.832 3.737 -1.855 1.00 10.00 N ATOM 742 CA ASP A 53 9.997 2.650 -0.906 1.00 10.00 C ATOM 743 C ASP A 53 11.329 1.945 -1.171 1.00 10.00 C ATOM 744 O ASP A 53 11.412 0.719 -1.101 1.00 10.00 O ATOM 745 CB ASP A 53 8.878 1.616 -1.053 1.00 10.00 C ATOM 746 CG ASP A 53 8.732 1.016 -2.452 1.00 10.00 C ATOM 747 OD1 ASP A 53 8.061 1.587 -3.325 1.00 10.00 O ATOM 748 OD2 ASP A 53 9.350 -0.102 -2.633 1.00 10.00 O ATOM 0 H ASP A 53 10.204 3.550 -2.786 1.00 10.00 H new ATOM 0 HA ASP A 53 9.969 3.072 0.099 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.056 0.807 -0.344 1.00 10.00 H new ATOM 0 HB3 ASP A 53 7.933 2.083 -0.774 1.00 10.00 H new ATOM 754 N SER A 54 12.339 2.749 -1.469 1.00 10.00 N ATOM 755 CA SER A 54 13.654 2.216 -1.780 1.00 10.00 C ATOM 756 C SER A 54 14.736 3.212 -1.359 1.00 10.00 C ATOM 757 O SER A 54 15.679 3.463 -2.108 1.00 10.00 O ATOM 758 CB SER A 54 13.779 1.895 -3.271 1.00 10.00 C ATOM 759 OG SER A 54 13.407 3.001 -4.088 1.00 10.00 O ATOM 0 H SER A 54 12.273 3.766 -1.502 1.00 10.00 H new ATOM 0 HA SER A 54 13.787 1.288 -1.223 1.00 10.00 H new ATOM 0 HB2 SER A 54 14.806 1.608 -3.495 1.00 10.00 H new ATOM 0 HB3 SER A 54 13.149 1.039 -3.512 1.00 10.00 H new ATOM 0 HG SER A 54 12.482 2.888 -4.391 1.00 10.00 H new ATOM 765 N ALA A 55 14.564 3.753 -0.162 1.00 10.00 N ATOM 766 CA ALA A 55 15.570 4.628 0.415 1.00 10.00 C ATOM 767 C ALA A 55 15.834 5.793 -0.540 1.00 10.00 C ATOM 768 O ALA A 55 16.975 6.030 -0.935 1.00 10.00 O ATOM 769 CB ALA A 55 16.835 3.823 0.717 1.00 10.00 C ATOM 0 H ALA A 55 13.743 3.602 0.424 1.00 10.00 H new ATOM 0 HA ALA A 55 15.219 5.048 1.358 1.00 10.00 H new ATOM 0 HB1 ALA A 55 17.590 4.480 1.150 1.00 10.00 H new ATOM 0 HB2 ALA A 55 16.599 3.026 1.423 1.00 10.00 H new ATOM 0 HB3 ALA A 55 17.219 3.388 -0.206 1.00 10.00 H new ATOM 775 N THR A 56 14.762 6.491 -0.883 1.00 10.00 N ATOM 776 CA THR A 56 14.884 7.750 -1.598 1.00 10.00 C ATOM 777 C THR A 56 15.560 7.530 -2.953 1.00 10.00 C ATOM 778 O THR A 56 16.776 7.669 -3.075 1.00 10.00 O ATOM 779 CB THR A 56 15.635 8.733 -0.698 1.00 10.00 C ATOM 780 OG1 THR A 56 14.798 8.862 0.449 1.00 10.00 O ATOM 781 CG2 THR A 56 15.682 10.145 -1.285 1.00 10.00 C ATOM 0 H THR A 56 13.803 6.208 -0.679 1.00 10.00 H new ATOM 0 HA THR A 56 13.905 8.174 -1.823 1.00 10.00 H new ATOM 0 HB THR A 56 16.651 8.373 -0.535 1.00 10.00 H new ATOM 0 HG1 THR A 56 15.210 9.481 1.087 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.226 10.803 -0.607 1.00 10.00 H new ATOM 0 HG22 THR A 56 16.187 10.121 -2.251 1.00 10.00 H new ATOM 0 HG23 THR A 56 14.666 10.519 -1.416 1.00 10.00 H new ATOM 789 N ASN A 57 14.742 7.190 -3.938 1.00 10.00 N ATOM 790 CA ASN A 57 15.212 7.121 -5.311 1.00 10.00 C ATOM 791 C ASN A 57 14.698 8.338 -6.084 1.00 10.00 C ATOM 792 O ASN A 57 14.674 8.332 -7.313 1.00 10.00 O ATOM 793 CB ASN A 57 14.690 5.863 -6.009 1.00 10.00 C ATOM 794 CG ASN A 57 13.162 5.880 -6.099 1.00 10.00 C ATOM 795 OD1 ASN A 57 12.575 6.396 -7.035 1.00 10.00 O ATOM 796 ND2 ASN A 57 12.554 5.287 -5.075 1.00 10.00 N ATOM 0 H ASN A 57 13.756 6.959 -3.813 1.00 10.00 H new ATOM 0 HA ASN A 57 16.302 7.099 -5.294 1.00 10.00 H new ATOM 0 HB2 ASN A 57 15.116 5.795 -7.010 1.00 10.00 H new ATOM 0 HB3 ASN A 57 15.016 4.978 -5.463 1.00 10.00 H new ATOM 0 HD21 ASN A 57 11.535 5.245 -5.042 1.00 10.00 H new ATOM 0 HD22 ASN A 57 13.106 4.874 -4.323 1.00 10.00 H new ATOM 803 N ILE A 58 14.300 9.352 -5.330 1.00 10.00 N ATOM 804 CA ILE A 58 13.841 10.594 -5.929 1.00 10.00 C ATOM 805 C ILE A 58 14.565 11.770 -5.270 1.00 10.00 C ATOM 806 O ILE A 58 15.517 11.575 -4.516 1.00 10.00 O ATOM 807 CB ILE A 58 12.316 10.692 -5.857 1.00 10.00 C ATOM 808 CG1 ILE A 58 11.696 9.339 -5.504 1.00 10.00 C ATOM 809 CG2 ILE A 58 11.742 11.265 -7.154 1.00 10.00 C ATOM 810 CD1 ILE A 58 10.172 9.440 -5.416 1.00 10.00 C ATOM 0 H ILE A 58 14.286 9.339 -4.310 1.00 10.00 H new ATOM 0 HA ILE A 58 14.089 10.620 -6.990 1.00 10.00 H new ATOM 0 HB ILE A 58 12.055 11.384 -5.056 1.00 10.00 H new ATOM 0 HG12 ILE A 58 11.972 8.601 -6.257 1.00 10.00 H new ATOM 0 HG13 ILE A 58 12.096 8.989 -4.553 1.00 10.00 H new ATOM 0 HG21 ILE A 58 10.656 11.324 -7.077 1.00 10.00 H new ATOM 0 HG22 ILE A 58 12.149 12.262 -7.323 1.00 10.00 H new ATOM 0 HG23 ILE A 58 12.011 10.618 -7.988 1.00 10.00 H new ATOM 0 HD11 ILE A 58 9.757 8.464 -5.164 1.00 10.00 H new ATOM 0 HD12 ILE A 58 9.899 10.161 -4.645 1.00 10.00 H new ATOM 0 HD13 ILE A 58 9.773 9.767 -6.376 1.00 10.00 H new