USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -139:sc= -1.72 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5.65! C(o=-11!,f=-15!) USER MOD Set 1.3: A 34 CYS SG : rot 176:sc= -0.569 USER MOD Set 1.4: A 37 CYS SG : rot -82:sc= -3.51! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00436 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -111:sc= -3.73! (180deg=-7.33!) USER MOD Single : A 50 SER OG : rot -44:sc= 1.05 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 57 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0217) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.954 12.146 7.301 1.00 0.00 N ATOM 2 CA ALA A 2 -4.710 12.414 6.535 1.00 0.00 C ATOM 3 C ALA A 2 -4.834 11.917 5.099 1.00 0.00 C ATOM 4 O ALA A 2 -4.460 10.786 4.789 1.00 0.00 O ATOM 5 CB ALA A 2 -3.519 11.760 7.219 1.00 0.00 C ATOM 0 HA ALA A 2 -4.553 13.492 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.614 11.964 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.411 12.163 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.678 10.683 7.275 1.00 0.00 H new ATOM 10 N SER A 3 -5.359 12.769 4.225 1.00 0.00 N ATOM 11 CA SER A 3 -5.531 12.416 2.822 1.00 0.00 C ATOM 12 C SER A 3 -4.446 13.056 1.962 1.00 0.00 C ATOM 13 O SER A 3 -4.699 14.014 1.233 1.00 0.00 O ATOM 14 CB SER A 3 -6.913 12.855 2.330 1.00 0.00 C ATOM 15 OG SER A 3 -7.941 12.257 3.099 1.00 0.00 O ATOM 0 H SER A 3 -5.673 13.710 4.464 1.00 0.00 H new ATOM 0 HA SER A 3 -5.448 11.333 2.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.995 13.940 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.033 12.582 1.282 1.00 0.00 H new ATOM 0 HG SER A 3 -8.814 12.554 2.766 1.00 0.00 H new ATOM 21 N THR A 4 -3.234 12.518 2.053 1.00 0.00 N ATOM 22 CA THR A 4 -2.108 13.034 1.285 1.00 0.00 C ATOM 23 C THR A 4 -1.687 12.045 0.201 1.00 0.00 C ATOM 24 O THR A 4 -1.192 12.441 -0.855 1.00 0.00 O ATOM 25 CB THR A 4 -0.926 13.330 2.210 1.00 0.00 C ATOM 26 OG1 THR A 4 -0.941 12.469 3.335 1.00 0.00 O ATOM 27 CG2 THR A 4 -0.907 14.753 2.721 1.00 0.00 C ATOM 0 H THR A 4 -3.007 11.724 2.652 1.00 0.00 H new ATOM 0 HA THR A 4 -2.424 13.959 0.803 1.00 0.00 H new ATOM 0 HB THR A 4 -0.036 13.169 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.176 12.673 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.043 14.895 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.844 15.441 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.820 14.950 3.283 1.00 0.00 H new ATOM 35 N SER A 5 -1.886 10.759 0.469 1.00 0.00 N ATOM 36 CA SER A 5 -1.528 9.715 -0.484 1.00 0.00 C ATOM 37 C SER A 5 -2.257 9.912 -1.810 1.00 0.00 C ATOM 38 O SER A 5 -2.963 10.903 -2.000 1.00 0.00 O ATOM 39 CB SER A 5 -1.857 8.336 0.093 1.00 0.00 C ATOM 40 OG SER A 5 -0.899 7.372 -0.311 1.00 0.00 O ATOM 0 H SER A 5 -2.293 10.415 1.338 1.00 0.00 H new ATOM 0 HA SER A 5 -0.456 9.779 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.885 8.391 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.849 8.028 -0.237 1.00 0.00 H new ATOM 0 HG SER A 5 -1.131 6.500 0.072 1.00 0.00 H new ATOM 46 N ARG A 6 -2.079 8.964 -2.723 1.00 0.00 N ATOM 47 CA ARG A 6 -2.720 9.033 -4.031 1.00 0.00 C ATOM 48 C ARG A 6 -3.900 8.070 -4.111 1.00 0.00 C ATOM 49 O ARG A 6 -5.058 8.484 -4.048 1.00 0.00 O ATOM 50 CB ARG A 6 -1.709 8.716 -5.137 1.00 0.00 C ATOM 51 CG ARG A 6 -1.098 9.952 -5.774 1.00 0.00 C ATOM 52 CD ARG A 6 -0.849 9.749 -7.260 1.00 0.00 C ATOM 53 NE ARG A 6 -2.090 9.511 -7.995 1.00 0.00 N ATOM 54 CZ ARG A 6 -2.937 10.474 -8.352 1.00 0.00 C ATOM 55 NH1 ARG A 6 -2.681 11.741 -8.044 1.00 0.00 N ATOM 56 NH2 ARG A 6 -4.042 10.171 -9.018 1.00 0.00 N ATOM 0 H ARG A 6 -1.496 8.139 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.093 10.047 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.912 8.099 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.201 8.125 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.763 10.804 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.159 10.192 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.349 10.628 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.175 8.904 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.321 8.550 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.832 11.980 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.333 12.475 -8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.243 9.200 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.691 10.909 -9.292 1.00 0.00 H new ATOM 70 N LEU A 7 -3.599 6.783 -4.251 1.00 0.00 N ATOM 71 CA LEU A 7 -4.635 5.759 -4.340 1.00 0.00 C ATOM 72 C LEU A 7 -4.608 4.845 -3.120 1.00 0.00 C ATOM 73 O LEU A 7 -3.657 4.090 -2.921 1.00 0.00 O ATOM 74 CB LEU A 7 -4.458 4.933 -5.615 1.00 0.00 C ATOM 75 CG LEU A 7 -4.212 5.747 -6.888 1.00 0.00 C ATOM 76 CD1 LEU A 7 -2.728 5.789 -7.217 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.002 5.166 -8.052 1.00 0.00 C ATOM 0 H LEU A 7 -2.646 6.424 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.602 6.261 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.622 4.249 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.349 4.322 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.553 6.768 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.573 6.372 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.185 6.251 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.360 4.774 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.816 5.757 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.691 4.136 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.066 5.189 -7.817 1.00 0.00 H new ATOM 89 N ASP A 8 -5.657 4.918 -2.309 1.00 0.00 N ATOM 90 CA ASP A 8 -5.757 4.095 -1.110 1.00 0.00 C ATOM 91 C ASP A 8 -6.904 3.098 -1.234 1.00 0.00 C ATOM 92 O ASP A 8 -7.871 3.148 -0.473 1.00 0.00 O ATOM 93 CB ASP A 8 -5.960 4.977 0.124 1.00 0.00 C ATOM 94 CG ASP A 8 -5.960 4.178 1.412 1.00 0.00 C ATOM 95 OD1 ASP A 8 -5.223 3.172 1.488 1.00 0.00 O ATOM 96 OD2 ASP A 8 -6.697 4.559 2.347 1.00 0.00 O ATOM 0 H ASP A 8 -6.451 5.540 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.826 3.539 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.170 5.727 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.904 5.513 0.032 1.00 0.00 H new ATOM 101 N ALA A 9 -6.792 2.196 -2.203 1.00 0.00 N ATOM 102 CA ALA A 9 -7.822 1.190 -2.431 1.00 0.00 C ATOM 103 C ALA A 9 -7.309 -0.212 -2.113 1.00 0.00 C ATOM 104 O ALA A 9 -7.308 -1.094 -2.973 1.00 0.00 O ATOM 105 CB ALA A 9 -8.317 1.260 -3.868 1.00 0.00 C ATOM 0 H ALA A 9 -5.999 2.141 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.654 1.401 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.086 0.504 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.735 2.248 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.485 1.079 -4.549 1.00 0.00 H new ATOM 111 N LEU A 10 -6.878 -0.415 -0.872 1.00 0.00 N ATOM 112 CA LEU A 10 -6.370 -1.713 -0.445 1.00 0.00 C ATOM 113 C LEU A 10 -7.242 -2.367 0.639 1.00 0.00 C ATOM 114 O LEU A 10 -6.785 -3.288 1.316 1.00 0.00 O ATOM 115 CB LEU A 10 -4.934 -1.572 0.068 1.00 0.00 C ATOM 116 CG LEU A 10 -4.724 -0.497 1.141 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.856 -1.095 2.533 1.00 0.00 C ATOM 118 CD2 LEU A 10 -3.365 0.167 0.972 1.00 0.00 C ATOM 0 H LEU A 10 -6.870 0.301 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.396 -2.364 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.614 -2.532 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.284 -1.349 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.496 0.263 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.704 -0.316 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.852 -1.522 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.108 -1.876 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.233 0.927 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.580 -0.583 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.308 0.633 -0.012 1.00 0.00 H new ATOM 130 N PRO A 11 -8.507 -1.925 0.835 1.00 0.00 N ATOM 131 CA PRO A 11 -9.384 -2.514 1.851 1.00 0.00 C ATOM 132 C PRO A 11 -10.085 -3.777 1.361 1.00 0.00 C ATOM 133 O PRO A 11 -10.295 -4.718 2.127 1.00 0.00 O ATOM 134 CB PRO A 11 -10.404 -1.406 2.087 1.00 0.00 C ATOM 135 CG PRO A 11 -10.553 -0.769 0.751 1.00 0.00 C ATOM 136 CD PRO A 11 -9.192 -0.836 0.103 1.00 0.00 C ATOM 0 HA PRO A 11 -8.835 -2.825 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.352 -1.805 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.054 -0.693 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.297 -1.292 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.889 0.263 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.266 -1.055 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.657 0.109 0.198 1.00 0.00 H new ATOM 144 N ARG A 12 -10.458 -3.787 0.085 1.00 0.00 N ATOM 145 CA ARG A 12 -11.150 -4.930 -0.500 1.00 0.00 C ATOM 146 C ARG A 12 -10.272 -5.661 -1.513 1.00 0.00 C ATOM 147 O ARG A 12 -10.777 -6.312 -2.427 1.00 0.00 O ATOM 148 CB ARG A 12 -12.446 -4.473 -1.175 1.00 0.00 C ATOM 149 CG ARG A 12 -12.220 -3.558 -2.369 1.00 0.00 C ATOM 150 CD ARG A 12 -13.154 -2.357 -2.340 1.00 0.00 C ATOM 151 NE ARG A 12 -12.443 -1.118 -2.037 1.00 0.00 N ATOM 152 CZ ARG A 12 -13.042 0.007 -1.654 1.00 0.00 C ATOM 153 NH1 ARG A 12 -14.363 0.055 -1.529 1.00 0.00 N ATOM 154 NH2 ARG A 12 -12.320 1.089 -1.397 1.00 0.00 N ATOM 0 H ARG A 12 -10.293 -3.017 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.383 -5.623 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.005 -5.350 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.064 -3.955 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.185 -3.215 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.375 -4.118 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.653 -2.262 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.932 -2.520 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.427 -1.115 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.924 -0.773 -1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.816 0.920 -1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.305 1.059 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.780 1.951 -1.104 1.00 0.00 H new ATOM 168 N VAL A 13 -8.958 -5.557 -1.346 1.00 0.00 N ATOM 169 CA VAL A 13 -8.025 -6.220 -2.249 1.00 0.00 C ATOM 170 C VAL A 13 -7.640 -7.597 -1.718 1.00 0.00 C ATOM 171 O VAL A 13 -7.519 -7.794 -0.508 1.00 0.00 O ATOM 172 CB VAL A 13 -6.748 -5.381 -2.462 1.00 0.00 C ATOM 173 CG1 VAL A 13 -5.786 -6.091 -3.405 1.00 0.00 C ATOM 174 CG2 VAL A 13 -7.101 -4.001 -2.996 1.00 0.00 C ATOM 0 H VAL A 13 -8.517 -5.023 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.533 -6.331 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.252 -5.262 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.893 -5.481 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.506 -7.055 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.270 -6.246 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.189 -3.422 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.622 -4.102 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.746 -3.489 -2.282 1.00 0.00 H new ATOM 184 N THR A 14 -7.451 -8.546 -2.627 1.00 0.00 N ATOM 185 CA THR A 14 -7.082 -9.905 -2.245 1.00 0.00 C ATOM 186 C THR A 14 -6.449 -10.650 -3.413 1.00 0.00 C ATOM 187 O THR A 14 -6.533 -10.217 -4.562 1.00 0.00 O ATOM 188 CB THR A 14 -8.313 -10.665 -1.745 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.502 -10.086 -2.251 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.425 -10.697 -0.235 1.00 0.00 C ATOM 0 H THR A 14 -7.547 -8.401 -3.632 1.00 0.00 H new ATOM 0 HA THR A 14 -6.348 -9.843 -1.442 1.00 0.00 H new ATOM 0 HB THR A 14 -8.187 -11.686 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.276 -10.588 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.319 -11.251 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.545 -11.185 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.491 -9.678 0.147 1.00 0.00 H new ATOM 198 N CYS A 15 -5.814 -11.775 -3.107 1.00 0.00 N ATOM 199 CA CYS A 15 -5.161 -12.594 -4.122 1.00 0.00 C ATOM 200 C CYS A 15 -6.191 -13.320 -4.981 1.00 0.00 C ATOM 201 O CYS A 15 -7.161 -13.873 -4.461 1.00 0.00 O ATOM 202 CB CYS A 15 -4.242 -13.615 -3.455 1.00 0.00 C ATOM 203 SG CYS A 15 -3.091 -14.433 -4.585 1.00 0.00 S ATOM 0 H CYS A 15 -5.737 -12.143 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.574 -11.937 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.671 -13.115 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.855 -14.373 -2.968 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.012 -15.695 -4.285 1.00 0.00 H new ATOM 209 N PRO A 16 -5.998 -13.339 -6.312 1.00 0.00 N ATOM 210 CA PRO A 16 -6.922 -14.014 -7.227 1.00 0.00 C ATOM 211 C PRO A 16 -6.952 -15.524 -7.010 1.00 0.00 C ATOM 212 O PRO A 16 -7.886 -16.202 -7.441 1.00 0.00 O ATOM 213 CB PRO A 16 -6.365 -13.684 -8.615 1.00 0.00 C ATOM 214 CG PRO A 16 -4.930 -13.362 -8.383 1.00 0.00 C ATOM 215 CD PRO A 16 -4.871 -12.713 -7.030 1.00 0.00 C ATOM 0 HA PRO A 16 -7.950 -13.683 -7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.476 -14.528 -9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.892 -12.841 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.317 -14.263 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.549 -12.693 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.920 -12.903 -6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.986 -11.631 -7.096 1.00 0.00 H new ATOM 223 N ASN A 17 -5.930 -16.052 -6.340 1.00 0.00 N ATOM 224 CA ASN A 17 -5.851 -17.483 -6.070 1.00 0.00 C ATOM 225 C ASN A 17 -5.860 -17.759 -4.568 1.00 0.00 C ATOM 226 O ASN A 17 -6.056 -18.897 -4.142 1.00 0.00 O ATOM 227 CB ASN A 17 -4.586 -18.072 -6.702 1.00 0.00 C ATOM 228 CG ASN A 17 -4.895 -18.969 -7.884 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.680 -18.591 -9.037 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.403 -20.162 -7.605 1.00 0.00 N ATOM 0 H ASN A 17 -5.147 -15.510 -5.975 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.727 -17.959 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.933 -17.261 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.039 -18.641 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.632 -20.808 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.565 -20.433 -6.635 1.00 0.00 H new ATOM 237 N HIS A 18 -5.654 -16.715 -3.770 1.00 0.00 N ATOM 238 CA HIS A 18 -5.645 -16.853 -2.323 1.00 0.00 C ATOM 239 C HIS A 18 -6.605 -15.858 -1.675 1.00 0.00 C ATOM 240 O HIS A 18 -6.211 -14.749 -1.318 1.00 0.00 O ATOM 241 CB HIS A 18 -4.238 -16.634 -1.765 1.00 0.00 C ATOM 242 CG HIS A 18 -3.239 -17.676 -2.166 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.008 -17.366 -2.702 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.274 -19.026 -2.070 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.326 -18.475 -2.913 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.072 -19.498 -2.539 1.00 0.00 N ATOM 0 H HIS A 18 -5.491 -15.765 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.970 -17.867 -2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.878 -15.659 -2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.294 -16.602 -0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.094 -19.621 -1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.328 -18.536 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.800 -20.480 -2.590 1.00 0.00 H new ATOM 255 N PRO A 19 -7.882 -16.238 -1.508 1.00 0.00 N ATOM 256 CA PRO A 19 -8.887 -15.366 -0.896 1.00 0.00 C ATOM 257 C PRO A 19 -8.525 -14.992 0.538 1.00 0.00 C ATOM 258 O PRO A 19 -8.717 -13.852 0.960 1.00 0.00 O ATOM 259 CB PRO A 19 -10.171 -16.206 -0.922 1.00 0.00 C ATOM 260 CG PRO A 19 -9.712 -17.614 -1.094 1.00 0.00 C ATOM 261 CD PRO A 19 -8.444 -17.543 -1.894 1.00 0.00 C ATOM 0 HA PRO A 19 -8.979 -14.419 -1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.739 -16.087 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.824 -15.902 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.537 -18.088 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.465 -18.209 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.767 -18.362 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.639 -17.598 -2.965 1.00 0.00 H new ATOM 269 N ASP A 20 -8.002 -15.961 1.282 1.00 0.00 N ATOM 270 CA ASP A 20 -7.616 -15.736 2.672 1.00 0.00 C ATOM 271 C ASP A 20 -6.309 -14.951 2.766 1.00 0.00 C ATOM 272 O ASP A 20 -6.130 -14.135 3.670 1.00 0.00 O ATOM 273 CB ASP A 20 -7.473 -17.072 3.402 1.00 0.00 C ATOM 274 CG ASP A 20 -8.814 -17.696 3.735 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.819 -16.956 3.778 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.861 -18.926 3.951 1.00 0.00 O ATOM 0 H ASP A 20 -7.835 -16.910 0.947 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.401 -15.147 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.898 -17.761 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.907 -16.922 4.321 1.00 0.00 H new ATOM 281 N ALA A 21 -5.399 -15.203 1.832 1.00 0.00 N ATOM 282 CA ALA A 21 -4.109 -14.520 1.814 1.00 0.00 C ATOM 283 C ALA A 21 -4.255 -13.089 1.299 1.00 0.00 C ATOM 284 O ALA A 21 -3.993 -12.801 0.131 1.00 0.00 O ATOM 285 CB ALA A 21 -3.127 -15.303 0.963 1.00 0.00 C ATOM 0 H ALA A 21 -5.530 -15.876 1.076 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.727 -14.465 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.165 -14.790 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.000 -16.302 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.509 -15.380 -0.055 1.00 0.00 H new ATOM 291 N ILE A 22 -4.705 -12.215 2.185 1.00 0.00 N ATOM 292 CA ILE A 22 -4.931 -10.815 1.844 1.00 0.00 C ATOM 293 C ILE A 22 -3.634 -10.045 1.601 1.00 0.00 C ATOM 294 O ILE A 22 -3.240 -9.211 2.416 1.00 0.00 O ATOM 295 CB ILE A 22 -5.746 -10.094 2.932 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.937 -10.949 3.371 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.216 -8.747 2.415 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.820 -10.277 4.401 1.00 0.00 C ATOM 0 H ILE A 22 -4.923 -12.451 3.153 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.496 -10.830 0.912 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.108 -9.935 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.538 -11.196 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.567 -11.889 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.792 -8.241 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.352 -8.138 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.841 -8.893 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.643 -10.942 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.234 -10.054 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.220 -9.351 3.989 1.00 0.00 H new ATOM 310 N LEU A 23 -2.989 -10.333 0.457 1.00 0.00 N ATOM 311 CA LEU A 23 -1.732 -9.668 0.059 1.00 0.00 C ATOM 312 C LEU A 23 -1.404 -8.523 1.008 1.00 0.00 C ATOM 313 O LEU A 23 -2.107 -7.518 1.054 1.00 0.00 O ATOM 314 CB LEU A 23 -1.839 -9.133 -1.373 1.00 0.00 C ATOM 315 CG LEU A 23 -1.284 -10.051 -2.465 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.400 -10.896 -3.060 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.583 -9.230 -3.544 1.00 0.00 C ATOM 0 H LEU A 23 -3.319 -11.027 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.931 -10.406 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.888 -8.933 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.316 -8.178 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.549 -10.723 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.992 -11.544 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.851 -11.506 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.158 -10.244 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.194 -9.897 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.294 -8.535 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.240 -8.671 -3.099 1.00 0.00 H new ATOM 329 N VAL A 24 -0.362 -8.690 1.796 1.00 0.00 N ATOM 330 CA VAL A 24 0.001 -7.675 2.767 1.00 0.00 C ATOM 331 C VAL A 24 0.836 -6.559 2.163 1.00 0.00 C ATOM 332 O VAL A 24 1.486 -6.728 1.134 1.00 0.00 O ATOM 333 CB VAL A 24 0.718 -8.300 3.964 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.862 -7.293 5.095 1.00 0.00 C ATOM 335 CG2 VAL A 24 -0.057 -9.529 4.415 1.00 0.00 C ATOM 0 H VAL A 24 0.244 -9.510 1.785 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.929 -7.223 3.111 1.00 0.00 H new ATOM 0 HB VAL A 24 1.724 -8.599 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.375 -7.761 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.440 -6.436 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.126 -6.959 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.446 -9.983 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.067 -9.237 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.106 -10.249 3.598 1.00 0.00 H new ATOM 345 N GLU A 25 0.771 -5.413 2.818 1.00 0.00 N ATOM 346 CA GLU A 25 1.460 -4.227 2.392 1.00 0.00 C ATOM 347 C GLU A 25 2.944 -4.361 2.608 1.00 0.00 C ATOM 348 O GLU A 25 3.416 -4.583 3.723 1.00 0.00 O ATOM 349 CB GLU A 25 0.925 -3.003 3.143 1.00 0.00 C ATOM 350 CG GLU A 25 0.014 -2.125 2.301 1.00 0.00 C ATOM 351 CD GLU A 25 0.775 -1.319 1.267 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.435 -1.934 0.402 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.712 -0.072 1.321 1.00 0.00 O ATOM 0 H GLU A 25 0.228 -5.288 3.672 1.00 0.00 H new ATOM 0 HA GLU A 25 1.280 -4.094 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.380 -3.338 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.766 -2.407 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.724 -2.750 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.535 -1.446 2.954 1.00 0.00 H new ATOM 360 N ASP A 26 3.669 -4.184 1.529 1.00 0.00 N ATOM 361 CA ASP A 26 5.109 -4.238 1.545 1.00 0.00 C ATOM 362 C ASP A 26 5.659 -5.665 1.526 1.00 0.00 C ATOM 363 O ASP A 26 5.043 -6.569 0.974 1.00 0.00 O ATOM 364 CB ASP A 26 5.667 -3.441 2.724 1.00 0.00 C ATOM 365 CG ASP A 26 4.933 -2.132 2.944 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.281 -1.137 2.273 1.00 0.00 O ATOM 367 OD2 ASP A 26 4.010 -2.103 3.784 1.00 0.00 O ATOM 0 H ASP A 26 3.271 -3.997 0.608 1.00 0.00 H new ATOM 0 HA ASP A 26 5.449 -3.775 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.603 -4.045 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.724 -3.236 2.551 1.00 0.00 H new ATOM 372 N TYR A 27 6.845 -5.849 2.106 1.00 0.00 N ATOM 373 CA TYR A 27 7.501 -7.151 2.135 1.00 0.00 C ATOM 374 C TYR A 27 8.371 -7.334 0.899 1.00 0.00 C ATOM 375 O TYR A 27 7.876 -7.399 -0.227 1.00 0.00 O ATOM 376 CB TYR A 27 6.487 -8.293 2.240 1.00 0.00 C ATOM 377 CG TYR A 27 6.996 -9.493 3.007 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.964 -9.518 4.395 1.00 0.00 C ATOM 379 CD2 TYR A 27 7.503 -10.601 2.340 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.426 -10.616 5.098 1.00 0.00 C ATOM 381 CE2 TYR A 27 7.967 -11.701 3.035 1.00 0.00 C ATOM 382 CZ TYR A 27 7.926 -11.705 4.414 1.00 0.00 C ATOM 383 OH TYR A 27 8.385 -12.798 5.110 1.00 0.00 O ATOM 0 H TYR A 27 7.372 -5.106 2.564 1.00 0.00 H new ATOM 0 HA TYR A 27 8.131 -7.182 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.584 -7.921 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.204 -8.609 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.573 -8.668 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.535 -10.602 1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.395 -10.621 6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.360 -12.554 2.501 1.00 0.00 H new ATOM 0 HH TYR A 27 8.702 -13.478 4.479 1.00 0.00 H new ATOM 393 N ARG A 28 9.672 -7.414 1.136 1.00 0.00 N ATOM 394 CA ARG A 28 10.663 -7.590 0.076 1.00 0.00 C ATOM 395 C ARG A 28 10.808 -6.325 -0.771 1.00 0.00 C ATOM 396 O ARG A 28 11.668 -5.487 -0.502 1.00 0.00 O ATOM 397 CB ARG A 28 10.310 -8.791 -0.807 1.00 0.00 C ATOM 398 CG ARG A 28 10.992 -10.079 -0.374 1.00 0.00 C ATOM 399 CD ARG A 28 10.555 -10.498 1.022 1.00 0.00 C ATOM 400 NE ARG A 28 11.464 -11.477 1.612 1.00 0.00 N ATOM 401 CZ ARG A 28 12.609 -11.162 2.212 1.00 0.00 C ATOM 402 NH1 ARG A 28 12.997 -9.894 2.296 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.371 -12.114 2.730 1.00 0.00 N ATOM 0 H ARG A 28 10.075 -7.359 2.071 1.00 0.00 H new ATOM 0 HA ARG A 28 11.623 -7.783 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.230 -8.938 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.588 -8.570 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.758 -10.873 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.073 -9.944 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.503 -9.619 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.550 -10.918 0.976 1.00 0.00 H new ATOM 0 HE ARG A 28 11.205 -12.462 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.416 -9.156 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.876 -9.659 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.080 -13.090 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.249 -11.871 3.190 1.00 0.00 H new ATOM 417 N ALA A 29 9.974 -6.190 -1.800 1.00 0.00 N ATOM 418 CA ALA A 29 10.032 -5.027 -2.677 1.00 0.00 C ATOM 419 C ALA A 29 9.533 -3.772 -1.963 1.00 0.00 C ATOM 420 O ALA A 29 10.325 -2.982 -1.452 1.00 0.00 O ATOM 421 CB ALA A 29 9.226 -5.281 -3.945 1.00 0.00 C ATOM 0 H ALA A 29 9.254 -6.869 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 29 11.073 -4.861 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.278 -4.404 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.636 -6.144 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.186 -5.477 -3.682 1.00 0.00 H new ATOM 427 N GLY A 30 8.217 -3.601 -1.933 1.00 0.00 N ATOM 428 CA GLY A 30 7.629 -2.447 -1.278 1.00 0.00 C ATOM 429 C GLY A 30 6.118 -2.480 -1.332 1.00 0.00 C ATOM 430 O GLY A 30 5.445 -2.108 -0.370 1.00 0.00 O ATOM 0 H GLY A 30 7.544 -4.243 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.955 -2.414 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.990 -1.535 -1.754 1.00 0.00 H new ATOM 434 N ASP A 31 5.585 -2.925 -2.463 1.00 0.00 N ATOM 435 CA ASP A 31 4.145 -3.019 -2.650 1.00 0.00 C ATOM 436 C ASP A 31 3.585 -4.208 -1.876 1.00 0.00 C ATOM 437 O ASP A 31 4.185 -4.656 -0.904 1.00 0.00 O ATOM 438 CB ASP A 31 3.824 -3.115 -4.133 1.00 0.00 C ATOM 439 CG ASP A 31 4.322 -4.397 -4.751 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.807 -5.469 -4.376 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.222 -4.326 -5.612 1.00 0.00 O ATOM 0 H ASP A 31 6.133 -3.228 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 31 3.670 -2.120 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.745 -3.043 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.270 -2.268 -4.653 1.00 0.00 H new ATOM 446 N MET A 32 2.424 -4.705 -2.288 1.00 0.00 N ATOM 447 CA MET A 32 1.781 -5.815 -1.599 1.00 0.00 C ATOM 448 C MET A 32 2.477 -7.149 -1.861 1.00 0.00 C ATOM 449 O MET A 32 3.179 -7.309 -2.855 1.00 0.00 O ATOM 450 CB MET A 32 0.327 -5.882 -2.041 1.00 0.00 C ATOM 451 CG MET A 32 -0.533 -4.775 -1.454 1.00 0.00 C ATOM 452 SD MET A 32 -2.292 -5.174 -1.486 1.00 0.00 S ATOM 453 CE MET A 32 -2.535 -5.512 -3.228 1.00 0.00 C ATOM 0 H MET A 32 1.909 -4.356 -3.096 1.00 0.00 H new ATOM 0 HA MET A 32 1.848 -5.637 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.283 -5.829 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.089 -6.847 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.225 -4.587 -0.425 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.363 -3.854 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.147 -4.726 -3.669 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.568 -5.544 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.037 -6.472 -3.346 1.00 0.00 H new ATOM 463 N ILE A 33 2.275 -8.102 -0.953 1.00 0.00 N ATOM 464 CA ILE A 33 2.865 -9.436 -1.028 1.00 0.00 C ATOM 465 C ILE A 33 1.826 -10.435 -0.542 1.00 0.00 C ATOM 466 O ILE A 33 1.243 -10.245 0.525 1.00 0.00 O ATOM 467 CB ILE A 33 4.121 -9.482 -0.122 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.144 -10.484 -0.645 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.743 -9.796 1.321 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.744 -11.914 -0.422 1.00 0.00 C ATOM 0 H ILE A 33 1.687 -7.966 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 33 3.160 -9.678 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 33 4.580 -8.494 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.292 -10.318 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.102 -10.302 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.643 -9.822 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.070 -9.026 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.246 -10.765 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.516 -12.574 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.624 -12.096 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.801 -12.112 -0.932 1.00 0.00 H new ATOM 482 N CYS A 34 1.594 -11.503 -1.291 1.00 0.00 N ATOM 483 CA CYS A 34 0.634 -12.500 -0.866 1.00 0.00 C ATOM 484 C CYS A 34 1.343 -13.528 -0.016 1.00 0.00 C ATOM 485 O CYS A 34 1.952 -14.435 -0.552 1.00 0.00 O ATOM 486 CB CYS A 34 0.005 -13.177 -2.074 1.00 0.00 C ATOM 487 SG CYS A 34 -1.440 -14.179 -1.687 1.00 0.00 S ATOM 0 H CYS A 34 2.051 -11.696 -2.182 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.156 -12.020 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.279 -12.413 -2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.753 -13.808 -2.554 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.957 -14.638 -2.788 1.00 0.00 H new ATOM 493 N PRO A 35 1.280 -13.413 1.321 1.00 0.00 N ATOM 494 CA PRO A 35 1.943 -14.349 2.233 1.00 0.00 C ATOM 495 C PRO A 35 1.765 -15.811 1.836 1.00 0.00 C ATOM 496 O PRO A 35 2.473 -16.684 2.333 1.00 0.00 O ATOM 497 CB PRO A 35 1.273 -14.076 3.591 1.00 0.00 C ATOM 498 CG PRO A 35 0.172 -13.100 3.316 1.00 0.00 C ATOM 499 CD PRO A 35 0.561 -12.375 2.064 1.00 0.00 C ATOM 0 HA PRO A 35 3.022 -14.196 2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.880 -14.996 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.988 -13.667 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.781 -13.614 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.051 -12.405 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.308 -12.010 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.192 -11.511 2.272 1.00 0.00 H new ATOM 507 N GLU A 36 0.824 -16.078 0.940 1.00 0.00 N ATOM 508 CA GLU A 36 0.564 -17.434 0.497 1.00 0.00 C ATOM 509 C GLU A 36 1.475 -17.807 -0.663 1.00 0.00 C ATOM 510 O GLU A 36 2.364 -18.636 -0.515 1.00 0.00 O ATOM 511 CB GLU A 36 -0.901 -17.590 0.095 1.00 0.00 C ATOM 512 CG GLU A 36 -1.806 -18.028 1.233 1.00 0.00 C ATOM 513 CD GLU A 36 -1.306 -19.272 1.938 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.413 -19.946 1.384 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.804 -19.572 3.043 1.00 0.00 O ATOM 0 H GLU A 36 0.230 -15.371 0.508 1.00 0.00 H new ATOM 0 HA GLU A 36 0.773 -18.111 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.263 -16.641 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.971 -18.318 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.891 -17.216 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.807 -18.215 0.844 1.00 0.00 H new ATOM 522 N CYS A 37 1.315 -17.141 -1.795 1.00 0.00 N ATOM 523 CA CYS A 37 2.190 -17.391 -2.937 1.00 0.00 C ATOM 524 C CYS A 37 3.341 -16.425 -2.848 1.00 0.00 C ATOM 525 O CYS A 37 4.425 -16.658 -3.369 1.00 0.00 O ATOM 526 CB CYS A 37 1.458 -17.202 -4.272 1.00 0.00 C ATOM 527 SG CYS A 37 0.395 -15.743 -4.347 1.00 0.00 S ATOM 0 H CYS A 37 0.599 -16.432 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 37 2.534 -18.425 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.197 -17.138 -5.071 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.853 -18.087 -4.468 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.745 -16.007 -3.780 1.00 0.00 H new ATOM 533 N GLY A 38 3.055 -15.329 -2.166 1.00 0.00 N ATOM 534 CA GLY A 38 3.998 -14.274 -1.952 1.00 0.00 C ATOM 535 C GLY A 38 4.223 -13.457 -3.192 1.00 0.00 C ATOM 536 O GLY A 38 5.347 -13.066 -3.506 1.00 0.00 O ATOM 0 H GLY A 38 2.143 -15.156 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.641 -13.626 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.946 -14.698 -1.620 1.00 0.00 H new ATOM 540 N LEU A 39 3.133 -13.190 -3.888 1.00 0.00 N ATOM 541 CA LEU A 39 3.164 -12.403 -5.098 1.00 0.00 C ATOM 542 C LEU A 39 3.246 -10.925 -4.742 1.00 0.00 C ATOM 543 O LEU A 39 2.727 -10.509 -3.708 1.00 0.00 O ATOM 544 CB LEU A 39 1.902 -12.674 -5.905 1.00 0.00 C ATOM 545 CG LEU A 39 0.693 -11.861 -5.456 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.509 -10.678 -6.367 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.563 -12.705 -5.424 1.00 0.00 C ATOM 0 H LEU A 39 2.202 -13.515 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 39 4.037 -12.674 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.101 -12.460 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.660 -13.735 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 39 0.877 -11.509 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.356 -10.100 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.399 -10.050 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.351 -11.026 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.405 -12.093 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.763 -13.098 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.427 -13.533 -4.728 1.00 0.00 H new ATOM 559 N VAL A 40 3.936 -10.159 -5.574 1.00 0.00 N ATOM 560 CA VAL A 40 4.129 -8.747 -5.330 1.00 0.00 C ATOM 561 C VAL A 40 3.386 -7.892 -6.348 1.00 0.00 C ATOM 562 O VAL A 40 3.622 -8.004 -7.552 1.00 0.00 O ATOM 563 CB VAL A 40 5.635 -8.411 -5.363 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.875 -6.928 -5.153 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.383 -9.233 -4.323 1.00 0.00 C ATOM 0 H VAL A 40 4.373 -10.501 -6.430 1.00 0.00 H new ATOM 0 HA VAL A 40 3.722 -8.520 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 40 6.017 -8.669 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.946 -6.725 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.377 -6.364 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.475 -6.628 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.444 -8.985 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.991 -9.009 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.251 -10.294 -4.534 1.00 0.00 H new ATOM 575 N VAL A 41 2.510 -7.020 -5.863 1.00 0.00 N ATOM 576 CA VAL A 41 1.767 -6.131 -6.744 1.00 0.00 C ATOM 577 C VAL A 41 1.845 -4.689 -6.250 1.00 0.00 C ATOM 578 O VAL A 41 1.532 -4.412 -5.095 1.00 0.00 O ATOM 579 CB VAL A 41 0.273 -6.488 -6.847 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.407 -5.645 -7.914 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.074 -7.961 -7.127 1.00 0.00 C ATOM 0 H VAL A 41 2.299 -6.911 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 41 2.231 -6.247 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.187 -6.268 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.462 -5.912 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.314 -4.590 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.066 -5.828 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.992 -8.178 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.557 -8.221 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.514 -8.547 -6.320 1.00 0.00 H new ATOM 591 N GLY A 42 2.239 -3.777 -7.133 1.00 0.00 N ATOM 592 CA GLY A 42 2.326 -2.385 -6.767 1.00 0.00 C ATOM 593 C GLY A 42 3.726 -1.850 -6.925 1.00 0.00 C ATOM 594 O GLY A 42 4.538 -2.424 -7.648 1.00 0.00 O ATOM 0 H GLY A 42 2.499 -3.983 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.643 -1.803 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.004 -2.260 -5.733 1.00 0.00 H new ATOM 598 N ASP A 43 4.020 -0.757 -6.243 1.00 0.00 N ATOM 599 CA ASP A 43 5.340 -0.154 -6.307 1.00 0.00 C ATOM 600 C ASP A 43 5.522 0.633 -7.598 1.00 0.00 C ATOM 601 O ASP A 43 5.243 0.136 -8.689 1.00 0.00 O ATOM 602 CB ASP A 43 6.435 -1.219 -6.181 1.00 0.00 C ATOM 603 CG ASP A 43 7.740 -0.649 -5.660 1.00 0.00 C ATOM 604 OD1 ASP A 43 8.440 0.035 -6.436 1.00 0.00 O ATOM 605 OD2 ASP A 43 8.062 -0.886 -4.478 1.00 0.00 O ATOM 0 H ASP A 43 3.361 -0.268 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 43 5.427 0.536 -5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.094 -2.009 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.605 -1.678 -7.155 1.00 0.00 H new ATOM 610 N ARG A 44 5.993 1.866 -7.460 1.00 0.00 N ATOM 611 CA ARG A 44 6.219 2.739 -8.606 1.00 0.00 C ATOM 612 C ARG A 44 7.676 2.675 -9.057 1.00 0.00 C ATOM 613 O ARG A 44 8.441 1.825 -8.602 1.00 0.00 O ATOM 614 CB ARG A 44 5.842 4.180 -8.250 1.00 0.00 C ATOM 615 CG ARG A 44 4.558 4.656 -8.910 1.00 0.00 C ATOM 616 CD ARG A 44 4.666 6.103 -9.362 1.00 0.00 C ATOM 617 NE ARG A 44 3.433 6.848 -9.116 1.00 0.00 N ATOM 618 CZ ARG A 44 3.098 7.358 -7.933 1.00 0.00 C ATOM 619 NH1 ARG A 44 3.897 7.204 -6.883 1.00 0.00 N ATOM 620 NH2 ARG A 44 1.960 8.025 -7.798 1.00 0.00 N ATOM 0 H ARG A 44 6.227 2.286 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 44 5.590 2.397 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.736 4.262 -7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.657 4.842 -8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.332 4.022 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.729 4.553 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.491 6.585 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.902 6.134 -10.426 1.00 0.00 H new ATOM 0 HE ARG A 44 2.791 6.985 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.774 6.692 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.634 7.598 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.342 8.147 -8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.703 8.416 -6.892 1.00 0.00 H new ATOM 634 N VAL A 45 8.053 3.582 -9.952 1.00 0.00 N ATOM 635 CA VAL A 45 9.417 3.632 -10.463 1.00 0.00 C ATOM 636 C VAL A 45 9.632 4.869 -11.331 1.00 0.00 C ATOM 637 O VAL A 45 10.064 4.769 -12.480 1.00 0.00 O ATOM 638 CB VAL A 45 9.758 2.369 -11.278 1.00 0.00 C ATOM 639 CG1 VAL A 45 8.841 2.244 -12.487 1.00 0.00 C ATOM 640 CG2 VAL A 45 11.220 2.383 -11.704 1.00 0.00 C ATOM 0 H VAL A 45 7.432 4.293 -10.339 1.00 0.00 H new ATOM 0 HA VAL A 45 10.080 3.682 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 45 9.599 1.498 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.099 1.346 -13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.806 2.178 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.961 3.118 -13.127 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.440 1.483 -12.278 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.411 3.262 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.856 2.414 -10.820 1.00 0.00 H new ATOM 650 N ILE A 46 9.325 6.036 -10.775 1.00 0.00 N ATOM 651 CA ILE A 46 9.482 7.293 -11.497 1.00 0.00 C ATOM 652 C ILE A 46 10.589 8.146 -10.884 1.00 0.00 C ATOM 653 O ILE A 46 11.422 8.704 -11.596 1.00 0.00 O ATOM 654 CB ILE A 46 8.167 8.101 -11.513 1.00 0.00 C ATOM 655 CG1 ILE A 46 8.324 9.362 -12.365 1.00 0.00 C ATOM 656 CG2 ILE A 46 7.746 8.461 -10.095 1.00 0.00 C ATOM 657 CD1 ILE A 46 7.028 10.112 -12.580 1.00 0.00 C ATOM 0 H ILE A 46 8.966 6.137 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 46 9.753 7.038 -12.522 1.00 0.00 H new ATOM 0 HB ILE A 46 7.386 7.483 -11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.044 10.026 -11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.740 9.086 -13.334 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.817 9.030 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.594 7.549 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.525 9.062 -9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.215 10.994 -13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.312 9.464 -13.086 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.621 10.419 -11.617 1.00 0.00 H new ATOM 669 N ASP A 47 10.591 8.241 -9.557 1.00 0.00 N ATOM 670 CA ASP A 47 11.594 9.027 -8.848 1.00 0.00 C ATOM 671 C ASP A 47 11.575 10.482 -9.311 1.00 0.00 C ATOM 672 O ASP A 47 12.387 10.890 -10.142 1.00 0.00 O ATOM 673 CB ASP A 47 12.987 8.427 -9.063 1.00 0.00 C ATOM 674 CG ASP A 47 13.515 7.734 -7.821 1.00 0.00 C ATOM 675 OD1 ASP A 47 12.699 7.395 -6.938 1.00 0.00 O ATOM 676 OD2 ASP A 47 14.744 7.533 -7.732 1.00 0.00 O ATOM 0 H ASP A 47 9.909 7.783 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 47 11.355 9.002 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.949 7.713 -9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.678 9.217 -9.357 1.00 0.00 H new ATOM 681 N VAL A 48 10.644 11.258 -8.768 1.00 0.00 N ATOM 682 CA VAL A 48 10.518 12.666 -9.125 1.00 0.00 C ATOM 683 C VAL A 48 11.452 13.530 -8.285 1.00 0.00 C ATOM 684 O VAL A 48 11.039 14.123 -7.289 1.00 0.00 O ATOM 685 CB VAL A 48 9.073 13.166 -8.942 1.00 0.00 C ATOM 686 CG1 VAL A 48 8.165 12.581 -10.014 1.00 0.00 C ATOM 687 CG2 VAL A 48 8.560 12.820 -7.553 1.00 0.00 C ATOM 0 H VAL A 48 9.965 10.936 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 48 10.793 12.751 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 48 9.068 14.251 -9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.148 12.946 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.522 12.884 -10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.174 11.493 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.538 13.181 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.580 11.739 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.195 13.292 -6.803 1.00 0.00 H new ATOM 697 N GLY A 49 12.715 13.599 -8.696 1.00 0.00 N ATOM 698 CA GLY A 49 13.688 14.394 -7.969 1.00 0.00 C ATOM 699 C GLY A 49 13.577 15.873 -8.282 1.00 0.00 C ATOM 700 O GLY A 49 12.728 16.570 -7.725 1.00 0.00 O ATOM 0 H GLY A 49 13.081 13.119 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.551 14.241 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.692 14.048 -8.215 1.00 0.00 H new ATOM 704 N SER A 50 14.435 16.353 -9.175 1.00 0.00 N ATOM 705 CA SER A 50 14.430 17.760 -9.561 1.00 0.00 C ATOM 706 C SER A 50 14.705 18.655 -8.357 1.00 0.00 C ATOM 707 O SER A 50 14.214 19.782 -8.284 1.00 0.00 O ATOM 708 CB SER A 50 13.089 18.131 -10.193 1.00 0.00 C ATOM 709 OG SER A 50 13.082 19.483 -10.619 1.00 0.00 O ATOM 0 H SER A 50 15.143 15.789 -9.645 1.00 0.00 H new ATOM 0 HA SER A 50 15.223 17.914 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.891 17.478 -11.043 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.287 17.969 -9.473 1.00 0.00 H new ATOM 0 HG SER A 50 13.484 20.047 -9.925 1.00 0.00 H new ATOM 715 N GLU A 51 15.492 18.148 -7.415 1.00 0.00 N ATOM 716 CA GLU A 51 15.833 18.902 -6.214 1.00 0.00 C ATOM 717 C GLU A 51 17.341 18.896 -5.979 1.00 0.00 C ATOM 718 O GLU A 51 17.808 18.600 -4.879 1.00 0.00 O ATOM 719 CB GLU A 51 15.109 18.319 -4.999 1.00 0.00 C ATOM 720 CG GLU A 51 13.727 18.910 -4.773 1.00 0.00 C ATOM 721 CD GLU A 51 13.163 18.564 -3.409 1.00 0.00 C ATOM 722 OE1 GLU A 51 13.276 17.390 -2.998 1.00 0.00 O ATOM 723 OE2 GLU A 51 12.605 19.468 -2.751 1.00 0.00 O ATOM 0 H GLU A 51 15.906 17.217 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 51 15.512 19.934 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.018 17.240 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.717 18.486 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.777 19.994 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.049 18.547 -5.546 1.00 0.00 H new ATOM 730 N TRP A 52 18.098 19.227 -7.022 1.00 0.00 N ATOM 731 CA TRP A 52 19.553 19.262 -6.936 1.00 0.00 C ATOM 732 C TRP A 52 20.115 17.877 -6.622 1.00 0.00 C ATOM 733 O TRP A 52 20.566 17.164 -7.519 1.00 0.00 O ATOM 734 CB TRP A 52 20.001 20.266 -5.870 1.00 0.00 C ATOM 735 CG TRP A 52 19.738 21.692 -6.250 1.00 0.00 C ATOM 736 CD1 TRP A 52 20.126 22.318 -7.400 1.00 0.00 C ATOM 737 CD2 TRP A 52 19.029 22.668 -5.480 1.00 0.00 C ATOM 738 NE1 TRP A 52 19.701 23.626 -7.391 1.00 0.00 N ATOM 739 CE2 TRP A 52 19.026 23.864 -6.222 1.00 0.00 C ATOM 740 CE3 TRP A 52 18.397 22.648 -4.234 1.00 0.00 C ATOM 741 CZ2 TRP A 52 18.415 25.027 -5.759 1.00 0.00 C ATOM 742 CZ3 TRP A 52 17.790 23.802 -3.775 1.00 0.00 C ATOM 743 CH2 TRP A 52 17.803 24.978 -4.537 1.00 0.00 C ATOM 0 H TRP A 52 17.725 19.475 -7.938 1.00 0.00 H new ATOM 0 HA TRP A 52 19.941 19.578 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 52 19.487 20.046 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 52 21.067 20.137 -5.685 1.00 0.00 H new ATOM 0 HD1 TRP A 52 20.685 21.854 -8.199 1.00 0.00 H new ATOM 0 HE1 TRP A 52 19.862 24.307 -8.133 1.00 0.00 H new ATOM 0 HE3 TRP A 52 18.383 21.746 -3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 18.424 25.935 -6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 17.298 23.797 -2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.320 25.864 -4.151 1.00 0.00 H new ATOM 754 N ARG A 53 20.086 17.501 -5.347 1.00 0.00 N ATOM 755 CA ARG A 53 20.594 16.200 -4.921 1.00 0.00 C ATOM 756 C ARG A 53 22.052 16.019 -5.336 1.00 0.00 C ATOM 757 O ARG A 53 22.347 15.753 -6.499 1.00 0.00 O ATOM 758 CB ARG A 53 19.736 15.078 -5.512 1.00 0.00 C ATOM 759 CG ARG A 53 18.886 14.355 -4.479 1.00 0.00 C ATOM 760 CD ARG A 53 19.575 13.100 -3.966 1.00 0.00 C ATOM 761 NE ARG A 53 18.689 11.938 -3.995 1.00 0.00 N ATOM 762 CZ ARG A 53 18.921 10.812 -3.325 1.00 0.00 C ATOM 763 NH1 ARG A 53 20.007 10.691 -2.573 1.00 0.00 N ATOM 764 NH2 ARG A 53 18.064 9.803 -3.408 1.00 0.00 N ATOM 0 H ARG A 53 19.717 18.078 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 53 20.540 16.155 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.084 15.496 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.386 14.356 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.679 15.024 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.925 14.089 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.458 12.898 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.920 13.267 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 53 17.843 11.993 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.670 11.464 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.179 9.825 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.228 9.890 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.241 8.940 -2.895 1.00 0.00 H new ATOM 778 N THR A 54 22.957 16.166 -4.375 1.00 0.00 N ATOM 779 CA THR A 54 24.383 16.018 -4.639 1.00 0.00 C ATOM 780 C THR A 54 25.113 15.486 -3.411 1.00 0.00 C ATOM 781 O THR A 54 24.521 15.337 -2.341 1.00 0.00 O ATOM 782 CB THR A 54 24.986 17.359 -5.062 1.00 0.00 C ATOM 783 OG1 THR A 54 24.017 18.159 -5.718 1.00 0.00 O ATOM 784 CG2 THR A 54 26.169 17.215 -5.996 1.00 0.00 C ATOM 0 H THR A 54 22.728 16.388 -3.406 1.00 0.00 H new ATOM 0 HA THR A 54 24.503 15.300 -5.450 1.00 0.00 H new ATOM 0 HB THR A 54 25.327 17.827 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 54 24.421 19.013 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 54 26.549 18.203 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 54 26.955 16.643 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 25.856 16.695 -6.902 1.00 0.00 H new ATOM 792 N PHE A 55 26.401 15.200 -3.570 1.00 0.00 N ATOM 793 CA PHE A 55 27.211 14.684 -2.472 1.00 0.00 C ATOM 794 C PHE A 55 27.976 15.806 -1.769 1.00 0.00 C ATOM 795 O PHE A 55 28.831 15.546 -0.922 1.00 0.00 O ATOM 796 CB PHE A 55 28.192 13.629 -2.987 1.00 0.00 C ATOM 797 CG PHE A 55 28.919 14.042 -4.236 1.00 0.00 C ATOM 798 CD1 PHE A 55 30.066 14.813 -4.162 1.00 0.00 C ATOM 799 CD2 PHE A 55 28.452 13.658 -5.483 1.00 0.00 C ATOM 800 CE1 PHE A 55 30.737 15.194 -5.310 1.00 0.00 C ATOM 801 CE2 PHE A 55 29.118 14.035 -6.634 1.00 0.00 C ATOM 802 CZ PHE A 55 30.261 14.805 -6.546 1.00 0.00 C ATOM 0 H PHE A 55 26.906 15.317 -4.448 1.00 0.00 H new ATOM 0 HA PHE A 55 26.537 14.226 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 55 28.922 13.412 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 55 27.649 12.704 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 55 30.441 15.121 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 55 27.557 13.057 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 55 31.632 15.795 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 55 28.745 13.728 -7.600 1.00 0.00 H new ATOM 0 HZ PHE A 55 30.782 15.103 -7.444 1.00 0.00 H new ATOM 812 N SER A 56 27.664 17.052 -2.122 1.00 0.00 N ATOM 813 CA SER A 56 28.325 18.205 -1.519 1.00 0.00 C ATOM 814 C SER A 56 29.842 18.105 -1.661 1.00 0.00 C ATOM 815 O SER A 56 30.365 17.107 -2.157 1.00 0.00 O ATOM 816 CB SER A 56 27.948 18.319 -0.041 1.00 0.00 C ATOM 817 OG SER A 56 26.703 17.692 0.218 1.00 0.00 O ATOM 0 H SER A 56 26.959 17.287 -2.821 1.00 0.00 H new ATOM 0 HA SER A 56 27.989 19.098 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 56 28.724 17.860 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 56 27.896 19.370 0.244 1.00 0.00 H new ATOM 0 HG SER A 56 26.486 17.777 1.170 1.00 0.00 H new ATOM 823 N ASN A 57 30.542 19.146 -1.221 1.00 0.00 N ATOM 824 CA ASN A 57 31.997 19.177 -1.296 1.00 0.00 C ATOM 825 C ASN A 57 32.609 19.344 0.091 1.00 0.00 C ATOM 826 O ASN A 57 31.904 19.308 1.099 1.00 0.00 O ATOM 827 CB ASN A 57 32.457 20.313 -2.213 1.00 0.00 C ATOM 828 CG ASN A 57 32.867 19.818 -3.586 1.00 0.00 C ATOM 829 OD1 ASN A 57 32.781 18.625 -3.880 1.00 0.00 O ATOM 830 ND2 ASN A 57 33.314 20.734 -4.437 1.00 0.00 N ATOM 0 H ASN A 57 30.124 19.980 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 57 32.336 18.227 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 57 31.652 21.040 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 57 33.297 20.832 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 57 33.603 20.460 -5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.369 21.712 -4.152 1.00 0.00 H new ATOM 837 N ASP A 58 33.925 19.528 0.135 1.00 0.00 N ATOM 838 CA ASP A 58 34.631 19.701 1.399 1.00 0.00 C ATOM 839 C ASP A 58 34.464 21.124 1.923 1.00 0.00 C ATOM 840 O ASP A 58 33.975 21.333 3.033 1.00 0.00 O ATOM 841 CB ASP A 58 36.116 19.378 1.226 1.00 0.00 C ATOM 842 CG ASP A 58 36.741 18.837 2.498 1.00 0.00 C ATOM 843 OD1 ASP A 58 36.354 17.728 2.922 1.00 0.00 O ATOM 844 OD2 ASP A 58 37.616 19.521 3.067 1.00 0.00 O ATOM 0 H ASP A 58 34.524 19.561 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 58 34.200 19.012 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.236 18.647 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.648 20.278 0.917 1.00 0.00 H new ATOM 849 N LYS A 59 34.874 22.098 1.117 1.00 0.00 N ATOM 850 CA LYS A 59 34.770 23.501 1.500 1.00 0.00 C ATOM 851 C LYS A 59 33.429 24.085 1.068 1.00 0.00 C ATOM 852 O LYS A 59 32.521 23.294 0.735 1.00 0.00 O ATOM 853 CB LYS A 59 35.918 24.306 0.883 1.00 0.00 C ATOM 854 CG LYS A 59 36.950 24.769 1.898 1.00 0.00 C ATOM 855 CD LYS A 59 38.064 25.565 1.237 1.00 0.00 C ATOM 856 CE LYS A 59 39.321 24.728 1.060 1.00 0.00 C ATOM 857 NZ LYS A 59 39.288 23.937 -0.201 1.00 0.00 N ATOM 0 H LYS A 59 35.281 21.941 0.195 1.00 0.00 H new ATOM 0 HA LYS A 59 34.837 23.563 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 59 36.412 23.697 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 35.507 25.177 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 59 36.465 25.382 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 37.373 23.904 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 59 37.727 25.926 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 59 38.293 26.443 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 59 40.194 25.380 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.431 24.053 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 40.184 23.420 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 38.499 23.260 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.158 24.578 -1.010 1.00 0.00 H new TER 871 LYS A 59