USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -1.31! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -4.53! C(o=-4.5!,f=-6.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.351 F(o=-1.2,f=-0.35) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -57:sc= 0.712 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 103:sc= -1.61! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.453 -12.841 -17.771 1.00 0.00 N ATOM 2 CA ALA A 1 -5.486 -12.914 -16.287 1.00 0.00 C ATOM 3 C ALA A 1 -4.555 -14.007 -15.771 1.00 0.00 C ATOM 4 O ALA A 1 -3.730 -13.767 -14.891 1.00 0.00 O ATOM 5 CB ALA A 1 -6.908 -13.158 -15.804 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.095 -12.090 -18.096 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.485 -12.630 -18.087 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.756 -13.752 -18.170 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.138 -11.960 -15.892 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.919 -13.209 -14.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.550 -12.342 -16.135 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.276 -14.098 -16.215 1.00 0.00 H new ATOM 13 N VAL A 2 -4.692 -15.208 -16.325 1.00 0.00 N ATOM 14 CA VAL A 2 -3.860 -16.335 -15.919 1.00 0.00 C ATOM 15 C VAL A 2 -2.384 -16.037 -16.158 1.00 0.00 C ATOM 16 O VAL A 2 -1.996 -15.601 -17.242 1.00 0.00 O ATOM 17 CB VAL A 2 -4.244 -17.620 -16.676 1.00 0.00 C ATOM 18 CG1 VAL A 2 -5.631 -18.089 -16.265 1.00 0.00 C ATOM 19 CG2 VAL A 2 -4.171 -17.397 -18.179 1.00 0.00 C ATOM 0 H VAL A 2 -5.370 -15.425 -17.055 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.031 -16.489 -14.853 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.530 -18.401 -16.413 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.884 -18.998 -16.811 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.644 -18.293 -15.194 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.361 -17.313 -16.495 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.446 -18.316 -18.697 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.859 -16.601 -18.463 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.155 -17.114 -18.456 1.00 0.00 H new ATOM 29 N LEU A 3 -1.569 -16.245 -15.129 1.00 0.00 N ATOM 30 CA LEU A 3 -0.159 -15.973 -15.202 1.00 0.00 C ATOM 31 C LEU A 3 0.604 -16.974 -16.031 1.00 0.00 C ATOM 32 O LEU A 3 0.218 -18.134 -16.172 1.00 0.00 O ATOM 33 CB LEU A 3 0.445 -15.971 -13.802 1.00 0.00 C ATOM 34 CG LEU A 3 0.617 -14.590 -13.176 1.00 0.00 C ATOM 35 CD1 LEU A 3 0.750 -13.555 -14.266 1.00 0.00 C ATOM 36 CD2 LEU A 3 -0.556 -14.266 -12.265 1.00 0.00 C ATOM 0 H LEU A 3 -1.878 -16.607 -14.227 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.069 -14.998 -15.681 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.187 -16.573 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.419 -16.459 -13.842 1.00 0.00 H new ATOM 0 HG LEU A 3 1.523 -14.583 -12.569 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.873 -12.569 -13.818 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.620 -13.785 -14.882 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.146 -13.563 -14.886 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.415 -13.277 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.480 -14.279 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.615 -15.009 -11.470 1.00 0.00 H new ATOM 48 N ASP A 4 1.714 -16.493 -16.563 1.00 0.00 N ATOM 49 CA ASP A 4 2.575 -17.301 -17.371 1.00 0.00 C ATOM 50 C ASP A 4 3.368 -18.254 -16.474 1.00 0.00 C ATOM 51 O ASP A 4 2.773 -19.027 -15.722 1.00 0.00 O ATOM 52 CB ASP A 4 3.495 -16.411 -18.217 1.00 0.00 C ATOM 53 CG ASP A 4 4.154 -17.173 -19.349 1.00 0.00 C ATOM 54 OD1 ASP A 4 4.300 -18.408 -19.227 1.00 0.00 O ATOM 55 OD2 ASP A 4 4.521 -16.537 -20.359 1.00 0.00 O ATOM 0 H ASP A 4 2.033 -15.532 -16.440 1.00 0.00 H new ATOM 0 HA ASP A 4 1.982 -17.901 -18.061 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.918 -15.583 -18.628 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.264 -15.977 -17.578 1.00 0.00 H new ATOM 60 N LEU A 5 4.694 -18.203 -16.532 1.00 0.00 N ATOM 61 CA LEU A 5 5.510 -19.055 -15.720 1.00 0.00 C ATOM 62 C LEU A 5 5.958 -18.340 -14.441 1.00 0.00 C ATOM 63 O LEU A 5 5.153 -17.688 -13.786 1.00 0.00 O ATOM 64 CB LEU A 5 6.667 -19.580 -16.568 1.00 0.00 C ATOM 65 CG LEU A 5 7.448 -18.532 -17.371 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.708 -18.132 -16.646 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.789 -19.066 -18.754 1.00 0.00 C ATOM 0 H LEU A 5 5.215 -17.572 -17.141 1.00 0.00 H new ATOM 0 HA LEU A 5 4.935 -19.915 -15.376 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.365 -20.099 -15.911 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.273 -20.321 -17.264 1.00 0.00 H new ATOM 0 HG LEU A 5 6.817 -17.650 -17.480 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.246 -17.388 -17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.450 -17.710 -15.675 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.340 -19.009 -16.504 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.343 -18.309 -19.310 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.399 -19.964 -18.657 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.870 -19.308 -19.288 1.00 0.00 H new ATOM 79 N ASP A 6 7.229 -18.472 -14.077 1.00 0.00 N ATOM 80 CA ASP A 6 7.748 -17.847 -12.878 1.00 0.00 C ATOM 81 C ASP A 6 8.045 -16.368 -13.105 1.00 0.00 C ATOM 82 O ASP A 6 8.303 -15.619 -12.164 1.00 0.00 O ATOM 83 CB ASP A 6 9.024 -18.563 -12.466 1.00 0.00 C ATOM 84 CG ASP A 6 8.774 -19.666 -11.456 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.377 -19.347 -10.316 1.00 0.00 O ATOM 86 OD2 ASP A 6 8.976 -20.848 -11.805 1.00 0.00 O ATOM 0 H ASP A 6 7.918 -19.011 -14.602 1.00 0.00 H new ATOM 0 HA ASP A 6 6.996 -17.922 -12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.500 -18.986 -13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.722 -17.840 -12.044 1.00 0.00 H new ATOM 91 N VAL A 7 7.996 -15.962 -14.364 1.00 0.00 N ATOM 92 CA VAL A 7 8.242 -14.590 -14.752 1.00 0.00 C ATOM 93 C VAL A 7 6.937 -13.825 -14.912 1.00 0.00 C ATOM 94 O VAL A 7 6.730 -13.131 -15.908 1.00 0.00 O ATOM 95 CB VAL A 7 9.042 -14.502 -16.066 1.00 0.00 C ATOM 96 CG1 VAL A 7 10.433 -15.092 -15.890 1.00 0.00 C ATOM 97 CG2 VAL A 7 8.297 -15.193 -17.201 1.00 0.00 C ATOM 0 H VAL A 7 7.783 -16.581 -15.146 1.00 0.00 H new ATOM 0 HA VAL A 7 8.831 -14.140 -13.953 1.00 0.00 H new ATOM 0 HB VAL A 7 9.152 -13.450 -16.328 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.981 -15.020 -16.830 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.967 -14.541 -15.116 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.350 -16.139 -15.598 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.881 -15.118 -18.118 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.147 -16.243 -16.951 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.329 -14.713 -17.347 1.00 0.00 H new ATOM 107 N ARG A 8 6.049 -13.971 -13.943 1.00 0.00 N ATOM 108 CA ARG A 8 4.770 -13.324 -13.980 1.00 0.00 C ATOM 109 C ARG A 8 4.926 -11.814 -13.844 1.00 0.00 C ATOM 110 O ARG A 8 5.913 -11.330 -13.293 1.00 0.00 O ATOM 111 CB ARG A 8 3.921 -13.896 -12.858 1.00 0.00 C ATOM 112 CG ARG A 8 3.657 -15.374 -13.037 1.00 0.00 C ATOM 113 CD ARG A 8 3.287 -16.048 -11.727 1.00 0.00 C ATOM 114 NE ARG A 8 2.843 -17.428 -11.929 1.00 0.00 N ATOM 115 CZ ARG A 8 2.979 -18.402 -11.030 1.00 0.00 C ATOM 116 NH1 ARG A 8 3.568 -18.167 -9.865 1.00 0.00 N ATOM 117 NH2 ARG A 8 2.524 -19.619 -11.301 1.00 0.00 N ATOM 0 H ARG A 8 6.205 -14.544 -13.113 1.00 0.00 H new ATOM 0 HA ARG A 8 4.282 -13.507 -14.937 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.423 -13.731 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.972 -13.362 -12.815 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.851 -15.514 -13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.543 -15.853 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.147 -16.038 -11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.496 -15.480 -11.237 1.00 0.00 H new ATOM 0 HE ARG A 8 2.400 -17.660 -12.818 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.921 -17.234 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.668 -18.919 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.072 -19.807 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.627 -20.366 -10.615 1.00 0.00 H new ATOM 131 N THR A 9 3.957 -11.074 -14.376 1.00 0.00 N ATOM 132 CA THR A 9 4.006 -9.626 -14.341 1.00 0.00 C ATOM 133 C THR A 9 5.254 -9.138 -15.076 1.00 0.00 C ATOM 134 O THR A 9 5.900 -8.168 -14.681 1.00 0.00 O ATOM 135 CB THR A 9 3.971 -9.155 -12.905 1.00 0.00 C ATOM 136 OG1 THR A 9 2.765 -9.555 -12.278 1.00 0.00 O ATOM 137 CG2 THR A 9 4.099 -7.656 -12.735 1.00 0.00 C ATOM 0 H THR A 9 3.131 -11.458 -14.835 1.00 0.00 H new ATOM 0 HA THR A 9 3.138 -9.205 -14.849 1.00 0.00 H new ATOM 0 HB THR A 9 4.842 -9.619 -12.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.760 -9.243 -11.349 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.064 -7.406 -11.675 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.047 -7.322 -13.156 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.278 -7.160 -13.252 1.00 0.00 H new ATOM 145 N CYS A 10 5.559 -9.851 -16.162 1.00 0.00 N ATOM 146 CA CYS A 10 6.711 -9.580 -17.037 1.00 0.00 C ATOM 147 C CYS A 10 7.853 -8.818 -16.328 1.00 0.00 C ATOM 148 O CYS A 10 8.064 -8.997 -15.128 1.00 0.00 O ATOM 149 CB CYS A 10 6.233 -8.865 -18.307 1.00 0.00 C ATOM 150 SG CYS A 10 5.395 -9.959 -19.518 1.00 0.00 S ATOM 0 H CYS A 10 5.003 -10.650 -16.468 1.00 0.00 H new ATOM 0 HA CYS A 10 7.150 -10.538 -17.316 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.549 -8.065 -18.024 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.090 -8.396 -18.791 1.00 0.00 H new ATOM 155 N LEU A 11 8.621 -8.012 -17.076 1.00 0.00 N ATOM 156 CA LEU A 11 9.761 -7.289 -16.500 1.00 0.00 C ATOM 157 C LEU A 11 9.381 -5.900 -15.972 1.00 0.00 C ATOM 158 O LEU A 11 8.496 -5.223 -16.515 1.00 0.00 O ATOM 159 CB LEU A 11 10.884 -7.161 -17.535 1.00 0.00 C ATOM 160 CG LEU A 11 12.277 -7.548 -17.033 1.00 0.00 C ATOM 161 CD1 LEU A 11 12.278 -8.964 -16.481 1.00 0.00 C ATOM 162 CD2 LEU A 11 13.307 -7.410 -18.144 1.00 0.00 C ATOM 0 H LEU A 11 8.474 -7.846 -18.072 1.00 0.00 H new ATOM 0 HA LEU A 11 10.105 -7.874 -15.647 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.638 -7.785 -18.394 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.916 -6.130 -17.888 1.00 0.00 H new ATOM 0 HG LEU A 11 12.547 -6.866 -16.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.278 -9.217 -16.130 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.575 -9.031 -15.651 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.982 -9.660 -17.265 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.290 -7.690 -17.766 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.038 -8.064 -18.973 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.332 -6.377 -18.490 1.00 0.00 H new ATOM 174 N PRO A 12 10.050 -5.463 -14.880 1.00 0.00 N ATOM 175 CA PRO A 12 9.778 -4.173 -14.257 1.00 0.00 C ATOM 176 C PRO A 12 10.083 -2.961 -15.131 1.00 0.00 C ATOM 177 O PRO A 12 10.577 -3.073 -16.254 1.00 0.00 O ATOM 178 CB PRO A 12 10.699 -4.114 -13.038 1.00 0.00 C ATOM 179 CG PRO A 12 11.295 -5.459 -12.871 1.00 0.00 C ATOM 180 CD PRO A 12 11.100 -6.212 -14.163 1.00 0.00 C ATOM 0 HA PRO A 12 8.712 -4.118 -14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.477 -3.364 -13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.140 -3.828 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.355 -5.380 -12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.820 -5.988 -12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.023 -6.251 -14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.795 -7.242 -13.979 1.00 0.00 H new ATOM 188 N CYS A 13 9.764 -1.798 -14.569 1.00 0.00 N ATOM 189 CA CYS A 13 9.949 -0.534 -15.231 1.00 0.00 C ATOM 190 C CYS A 13 10.296 0.570 -14.228 1.00 0.00 C ATOM 191 O CYS A 13 10.681 0.302 -13.090 1.00 0.00 O ATOM 192 CB CYS A 13 8.669 -0.196 -16.013 1.00 0.00 C ATOM 193 SG CYS A 13 8.808 1.179 -17.199 1.00 0.00 S ATOM 0 H CYS A 13 9.367 -1.718 -13.633 1.00 0.00 H new ATOM 0 HA CYS A 13 10.788 -0.605 -15.924 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.350 -1.087 -16.554 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.881 0.043 -15.299 1.00 0.00 H new ATOM 198 N GLY A 14 10.111 1.804 -14.657 1.00 0.00 N ATOM 199 CA GLY A 14 10.367 2.939 -13.808 1.00 0.00 C ATOM 200 C GLY A 14 11.774 2.975 -13.268 1.00 0.00 C ATOM 201 O GLY A 14 12.709 2.482 -13.895 1.00 0.00 O ATOM 0 H GLY A 14 9.783 2.041 -15.593 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.177 3.854 -14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.665 2.926 -12.974 1.00 0.00 H new ATOM 205 N PRO A 15 11.942 3.577 -12.090 1.00 0.00 N ATOM 206 CA PRO A 15 13.241 3.713 -11.434 1.00 0.00 C ATOM 207 C PRO A 15 13.679 2.436 -10.711 1.00 0.00 C ATOM 208 O PRO A 15 13.448 2.277 -9.512 1.00 0.00 O ATOM 209 CB PRO A 15 12.969 4.848 -10.450 1.00 0.00 C ATOM 210 CG PRO A 15 11.560 4.628 -10.042 1.00 0.00 C ATOM 211 CD PRO A 15 10.861 4.200 -11.299 1.00 0.00 C ATOM 0 HA PRO A 15 14.056 3.905 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.644 4.808 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.103 5.824 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.487 3.864 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.119 5.538 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.056 3.495 -11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.417 5.047 -11.821 1.00 0.00 H new ATOM 219 N GLY A 16 14.316 1.531 -11.456 1.00 0.00 N ATOM 220 CA GLY A 16 14.785 0.277 -10.881 1.00 0.00 C ATOM 221 C GLY A 16 13.964 -0.916 -11.337 1.00 0.00 C ATOM 222 O GLY A 16 14.428 -1.741 -12.124 1.00 0.00 O ATOM 0 H GLY A 16 14.516 1.644 -12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.828 0.123 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.749 0.344 -9.794 1.00 0.00 H new ATOM 226 N GLY A 17 12.733 -0.988 -10.852 1.00 0.00 N ATOM 227 CA GLY A 17 11.829 -2.053 -11.211 1.00 0.00 C ATOM 228 C GLY A 17 10.490 -1.910 -10.541 1.00 0.00 C ATOM 229 O GLY A 17 9.838 -2.890 -10.179 1.00 0.00 O ATOM 0 H GLY A 17 12.340 -0.308 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.693 -2.063 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.271 -3.011 -10.936 1.00 0.00 H new ATOM 233 N LYS A 18 10.109 -0.664 -10.358 1.00 0.00 N ATOM 234 CA LYS A 18 8.880 -0.323 -9.712 1.00 0.00 C ATOM 235 C LYS A 18 7.738 -0.807 -10.556 1.00 0.00 C ATOM 236 O LYS A 18 6.935 -1.631 -10.118 1.00 0.00 O ATOM 237 CB LYS A 18 8.828 1.191 -9.540 1.00 0.00 C ATOM 238 CG LYS A 18 9.119 1.687 -8.139 1.00 0.00 C ATOM 239 CD LYS A 18 10.119 0.792 -7.451 1.00 0.00 C ATOM 240 CE LYS A 18 10.456 1.283 -6.055 1.00 0.00 C ATOM 241 NZ LYS A 18 9.578 0.671 -5.021 1.00 0.00 N ATOM 0 H LYS A 18 10.656 0.142 -10.660 1.00 0.00 H new ATOM 0 HA LYS A 18 8.810 -0.793 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.544 1.644 -10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.839 1.541 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.505 2.706 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.196 1.720 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.719 -0.220 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.030 0.741 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.497 1.050 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.357 2.368 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.842 1.033 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.586 0.914 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.691 -0.363 -5.037 1.00 0.00 H new ATOM 255 N GLY A 19 7.674 -0.318 -11.766 1.00 0.00 N ATOM 256 CA GLY A 19 6.635 -0.732 -12.662 1.00 0.00 C ATOM 257 C GLY A 19 7.041 -1.871 -13.564 1.00 0.00 C ATOM 258 O GLY A 19 7.820 -2.742 -13.191 1.00 0.00 O ATOM 0 H GLY A 19 8.328 0.365 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.762 -1.031 -12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.334 0.118 -13.275 1.00 0.00 H new ATOM 262 N ARG A 20 6.507 -1.805 -14.764 1.00 0.00 N ATOM 263 CA ARG A 20 6.767 -2.772 -15.808 1.00 0.00 C ATOM 264 C ARG A 20 6.309 -2.201 -17.147 1.00 0.00 C ATOM 265 O ARG A 20 5.742 -1.112 -17.193 1.00 0.00 O ATOM 266 CB ARG A 20 6.045 -4.070 -15.490 1.00 0.00 C ATOM 267 CG ARG A 20 4.563 -3.971 -15.692 1.00 0.00 C ATOM 268 CD ARG A 20 4.068 -5.045 -16.619 1.00 0.00 C ATOM 269 NE ARG A 20 2.731 -5.503 -16.263 1.00 0.00 N ATOM 270 CZ ARG A 20 1.995 -6.304 -17.027 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.487 -6.787 -18.162 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.768 -6.630 -16.648 1.00 0.00 N ATOM 0 H ARG A 20 5.867 -1.063 -15.047 1.00 0.00 H new ATOM 0 HA ARG A 20 7.835 -2.982 -15.868 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.441 -4.866 -16.121 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.249 -4.351 -14.457 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.056 -4.055 -14.731 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.314 -2.991 -16.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.061 -4.666 -17.641 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.758 -5.889 -16.597 1.00 0.00 H new ATOM 0 HE ARG A 20 2.337 -5.191 -15.376 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.434 -6.544 -18.452 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.918 -7.401 -18.744 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.391 -6.267 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.200 -7.244 -17.232 1.00 0.00 H new ATOM 286 N CYS A 21 6.516 -2.947 -18.218 1.00 0.00 N ATOM 287 CA CYS A 21 6.080 -2.502 -19.548 1.00 0.00 C ATOM 288 C CYS A 21 4.850 -3.298 -19.975 1.00 0.00 C ATOM 289 O CYS A 21 4.772 -4.496 -19.708 1.00 0.00 O ATOM 290 CB CYS A 21 7.221 -2.649 -20.540 1.00 0.00 C ATOM 291 SG CYS A 21 6.753 -2.841 -22.298 1.00 0.00 S ATOM 0 H CYS A 21 6.978 -3.856 -18.203 1.00 0.00 H new ATOM 0 HA CYS A 21 5.803 -1.448 -19.517 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.865 -1.774 -20.452 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.817 -3.514 -20.249 1.00 0.00 H new ATOM 296 N PHE A 22 3.868 -2.642 -20.604 1.00 0.00 N ATOM 297 CA PHE A 22 2.635 -3.331 -21.003 1.00 0.00 C ATOM 298 C PHE A 22 2.504 -3.480 -22.521 1.00 0.00 C ATOM 299 O PHE A 22 1.556 -4.104 -23.000 1.00 0.00 O ATOM 300 CB PHE A 22 1.424 -2.571 -20.458 1.00 0.00 C ATOM 301 CG PHE A 22 1.255 -2.685 -18.976 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.308 -2.403 -18.118 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.037 -3.068 -18.439 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.137 -2.502 -16.752 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.132 -3.167 -17.074 1.00 0.00 C ATOM 306 CZ PHE A 22 0.918 -2.882 -16.230 1.00 0.00 C ATOM 0 H PHE A 22 3.901 -1.651 -20.845 1.00 0.00 H new ATOM 0 HA PHE A 22 2.678 -4.336 -20.583 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.518 -1.518 -20.723 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.524 -2.943 -20.946 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.265 -2.105 -18.520 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.790 -3.292 -19.097 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.961 -2.281 -16.089 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.086 -3.468 -16.668 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.787 -2.956 -15.160 1.00 0.00 H new ATOM 316 N GLY A 23 3.468 -2.956 -23.275 1.00 0.00 N ATOM 317 CA GLY A 23 3.402 -3.124 -24.719 1.00 0.00 C ATOM 318 C GLY A 23 3.835 -1.940 -25.572 1.00 0.00 C ATOM 319 O GLY A 23 4.941 -1.946 -26.110 1.00 0.00 O ATOM 0 H GLY A 23 4.271 -2.433 -22.927 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.020 -3.980 -24.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.375 -3.375 -24.984 1.00 0.00 H new ATOM 323 N PRO A 24 2.960 -0.938 -25.791 1.00 0.00 N ATOM 324 CA PRO A 24 3.267 0.188 -26.668 1.00 0.00 C ATOM 325 C PRO A 24 3.778 1.422 -25.949 1.00 0.00 C ATOM 326 O PRO A 24 2.993 2.219 -25.435 1.00 0.00 O ATOM 327 CB PRO A 24 1.902 0.459 -27.293 1.00 0.00 C ATOM 328 CG PRO A 24 0.913 0.130 -26.221 1.00 0.00 C ATOM 329 CD PRO A 24 1.579 -0.844 -25.273 1.00 0.00 C ATOM 0 HA PRO A 24 4.072 -0.043 -27.365 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.812 1.499 -27.608 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.744 -0.157 -28.178 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.607 1.032 -25.691 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.012 -0.308 -26.651 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.559 -0.481 -24.245 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.081 -1.814 -25.278 1.00 0.00 H new ATOM 337 N SER A 25 5.103 1.586 -25.917 1.00 0.00 N ATOM 338 CA SER A 25 5.706 2.743 -25.257 1.00 0.00 C ATOM 339 C SER A 25 5.105 2.941 -23.880 1.00 0.00 C ATOM 340 O SER A 25 5.157 4.031 -23.325 1.00 0.00 O ATOM 341 CB SER A 25 5.438 4.004 -26.079 1.00 0.00 C ATOM 342 OG SER A 25 6.582 4.838 -26.116 1.00 0.00 O ATOM 0 H SER A 25 5.771 0.939 -26.336 1.00 0.00 H new ATOM 0 HA SER A 25 6.778 2.564 -25.169 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.152 3.727 -27.094 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.599 4.551 -25.650 1.00 0.00 H new ATOM 0 HG SER A 25 6.445 5.552 -26.773 1.00 0.00 H new ATOM 348 N ILE A 26 4.486 1.900 -23.359 1.00 0.00 N ATOM 349 CA ILE A 26 3.810 2.003 -22.095 1.00 0.00 C ATOM 350 C ILE A 26 4.527 1.305 -20.955 1.00 0.00 C ATOM 351 O ILE A 26 5.347 0.408 -21.148 1.00 0.00 O ATOM 352 CB ILE A 26 2.402 1.428 -22.229 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.430 2.178 -21.346 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.399 -0.036 -21.866 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.005 1.768 -21.620 1.00 0.00 C ATOM 0 H ILE A 26 4.441 0.979 -23.795 1.00 0.00 H new ATOM 0 HA ILE A 26 3.786 3.063 -21.843 1.00 0.00 H new ATOM 0 HB ILE A 26 2.086 1.539 -23.266 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.669 1.990 -20.299 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.540 3.250 -21.511 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.389 -0.434 -21.966 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.070 -0.578 -22.533 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.736 -0.156 -20.836 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.674 2.328 -20.967 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.252 1.980 -22.660 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.121 0.701 -21.430 1.00 0.00 H new ATOM 367 N CYS A 27 4.172 1.742 -19.761 1.00 0.00 N ATOM 368 CA CYS A 27 4.709 1.223 -18.543 1.00 0.00 C ATOM 369 C CYS A 27 3.756 1.538 -17.397 1.00 0.00 C ATOM 370 O CYS A 27 2.982 2.493 -17.467 1.00 0.00 O ATOM 371 CB CYS A 27 6.061 1.844 -18.301 1.00 0.00 C ATOM 372 SG CYS A 27 7.455 0.717 -18.631 1.00 0.00 S ATOM 0 H CYS A 27 3.486 2.484 -19.621 1.00 0.00 H new ATOM 0 HA CYS A 27 4.824 0.141 -18.609 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.163 2.728 -18.931 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.116 2.182 -17.266 1.00 0.00 H new ATOM 377 N CYS A 28 3.797 0.736 -16.354 1.00 0.00 N ATOM 378 CA CYS A 28 2.918 0.939 -15.227 1.00 0.00 C ATOM 379 C CYS A 28 3.595 0.614 -13.909 1.00 0.00 C ATOM 380 O CYS A 28 3.823 -0.554 -13.595 1.00 0.00 O ATOM 381 CB CYS A 28 1.671 0.079 -15.400 1.00 0.00 C ATOM 382 SG CYS A 28 0.131 0.883 -14.877 1.00 0.00 S ATOM 0 H CYS A 28 4.429 -0.060 -16.265 1.00 0.00 H new ATOM 0 HA CYS A 28 2.646 1.994 -15.198 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.581 -0.204 -16.449 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.797 -0.842 -14.831 1.00 0.00 H new ATOM 387 N GLY A 29 3.911 1.640 -13.127 1.00 0.00 N ATOM 388 CA GLY A 29 4.525 1.414 -11.866 1.00 0.00 C ATOM 389 C GLY A 29 3.505 1.470 -10.742 1.00 0.00 C ATOM 390 O GLY A 29 2.432 2.050 -10.915 1.00 0.00 O ATOM 0 H GLY A 29 3.746 2.619 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.017 0.441 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.299 2.162 -11.696 1.00 0.00 H new ATOM 394 N ASP A 30 3.815 0.878 -9.591 1.00 0.00 N ATOM 395 CA ASP A 30 2.878 0.896 -8.477 1.00 0.00 C ATOM 396 C ASP A 30 2.862 2.293 -7.875 1.00 0.00 C ATOM 397 O ASP A 30 1.935 3.072 -8.105 1.00 0.00 O ATOM 398 CB ASP A 30 3.280 -0.142 -7.421 1.00 0.00 C ATOM 399 CG ASP A 30 2.079 -0.829 -6.802 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.342 -0.166 -6.042 1.00 0.00 O ATOM 401 OD2 ASP A 30 1.880 -2.032 -7.072 1.00 0.00 O ATOM 0 H ASP A 30 4.692 0.389 -9.409 1.00 0.00 H new ATOM 0 HA ASP A 30 1.880 0.640 -8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.928 -0.890 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.860 0.346 -6.638 1.00 0.00 H new ATOM 406 N GLU A 31 3.931 2.626 -7.172 1.00 0.00 N ATOM 407 CA GLU A 31 4.114 3.946 -6.606 1.00 0.00 C ATOM 408 C GLU A 31 4.535 4.900 -7.717 1.00 0.00 C ATOM 409 O GLU A 31 4.884 6.057 -7.486 1.00 0.00 O ATOM 410 CB GLU A 31 5.233 3.890 -5.575 1.00 0.00 C ATOM 411 CG GLU A 31 6.571 3.462 -6.185 1.00 0.00 C ATOM 412 CD GLU A 31 7.710 4.383 -5.791 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.474 5.604 -5.677 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.836 3.883 -5.597 1.00 0.00 O ATOM 0 H GLU A 31 4.699 1.983 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 31 3.187 4.284 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.345 4.870 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.959 3.193 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.803 2.446 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.482 3.443 -7.271 1.00 0.00 H new ATOM 421 N LEU A 32 4.599 4.331 -8.907 1.00 0.00 N ATOM 422 CA LEU A 32 5.084 4.983 -10.097 1.00 0.00 C ATOM 423 C LEU A 32 3.987 5.370 -11.093 1.00 0.00 C ATOM 424 O LEU A 32 4.254 6.067 -12.069 1.00 0.00 O ATOM 425 CB LEU A 32 6.002 3.960 -10.710 1.00 0.00 C ATOM 426 CG LEU A 32 7.292 4.393 -11.356 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.433 3.574 -12.607 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.368 5.884 -11.668 1.00 0.00 C ATOM 0 H LEU A 32 4.303 3.369 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 32 5.561 5.931 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.256 3.244 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.428 3.420 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 32 8.111 4.227 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.356 3.847 -13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.462 2.516 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.584 3.764 -13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.328 6.110 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.563 6.154 -12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.267 6.455 -10.745 1.00 0.00 H new ATOM 440 N GLY A 33 2.766 4.940 -10.838 1.00 0.00 N ATOM 441 CA GLY A 33 1.671 5.282 -11.728 1.00 0.00 C ATOM 442 C GLY A 33 1.657 4.456 -12.990 1.00 0.00 C ATOM 443 O GLY A 33 2.125 3.321 -13.011 1.00 0.00 O ATOM 0 H GLY A 33 2.509 4.363 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.726 5.147 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.741 6.337 -11.992 1.00 0.00 H new ATOM 447 N CYS A 34 1.137 5.038 -14.055 1.00 0.00 N ATOM 448 CA CYS A 34 1.071 4.364 -15.346 1.00 0.00 C ATOM 449 C CYS A 34 1.410 5.334 -16.467 1.00 0.00 C ATOM 450 O CYS A 34 0.669 6.281 -16.724 1.00 0.00 O ATOM 451 CB CYS A 34 -0.318 3.780 -15.582 1.00 0.00 C ATOM 452 SG CYS A 34 -0.303 2.155 -16.395 1.00 0.00 S ATOM 0 H CYS A 34 0.751 5.982 -14.054 1.00 0.00 H new ATOM 0 HA CYS A 34 1.798 3.552 -15.339 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.832 3.692 -14.625 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.895 4.475 -16.191 1.00 0.00 H new ATOM 457 N PHE A 35 2.539 5.099 -17.120 1.00 0.00 N ATOM 458 CA PHE A 35 2.990 5.969 -18.204 1.00 0.00 C ATOM 459 C PHE A 35 2.734 5.354 -19.569 1.00 0.00 C ATOM 460 O PHE A 35 2.885 4.147 -19.759 1.00 0.00 O ATOM 461 CB PHE A 35 4.489 6.237 -18.076 1.00 0.00 C ATOM 462 CG PHE A 35 4.932 6.538 -16.680 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.968 5.538 -15.724 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.311 7.821 -16.319 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.370 5.810 -14.436 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.716 8.096 -15.029 1.00 0.00 C ATOM 467 CZ PHE A 35 5.745 7.089 -14.088 1.00 0.00 C ATOM 0 H PHE A 35 3.161 4.315 -16.921 1.00 0.00 H new ATOM 0 HA PHE A 35 2.424 6.897 -18.122 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.036 5.368 -18.441 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.755 7.075 -18.720 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.677 4.533 -15.992 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.289 8.612 -17.054 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.391 5.021 -13.699 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.010 9.099 -14.757 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.062 7.303 -13.078 1.00 0.00 H new ATOM 477 N VAL A 36 2.404 6.206 -20.529 1.00 0.00 N ATOM 478 CA VAL A 36 2.197 5.764 -21.894 1.00 0.00 C ATOM 479 C VAL A 36 2.962 6.667 -22.828 1.00 0.00 C ATOM 480 O VAL A 36 2.664 7.854 -22.963 1.00 0.00 O ATOM 481 CB VAL A 36 0.730 5.727 -22.337 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.605 4.828 -23.560 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.178 5.250 -21.212 1.00 0.00 C ATOM 0 H VAL A 36 2.275 7.207 -20.384 1.00 0.00 H new ATOM 0 HA VAL A 36 2.556 4.735 -21.933 1.00 0.00 H new ATOM 0 HB VAL A 36 0.410 6.737 -22.595 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.436 4.795 -23.883 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.223 5.223 -24.367 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.938 3.821 -23.307 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.211 5.236 -21.560 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.117 4.246 -20.908 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.091 5.927 -20.362 1.00 0.00 H new ATOM 493 N GLY A 37 3.962 6.092 -23.450 1.00 0.00 N ATOM 494 CA GLY A 37 4.802 6.850 -24.358 1.00 0.00 C ATOM 495 C GLY A 37 5.546 7.963 -23.641 1.00 0.00 C ATOM 496 O GLY A 37 5.602 9.096 -24.117 1.00 0.00 O ATOM 0 H GLY A 37 4.217 5.110 -23.349 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.519 6.181 -24.834 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.188 7.276 -25.152 1.00 0.00 H new ATOM 500 N THR A 38 6.107 7.631 -22.480 1.00 0.00 N ATOM 501 CA THR A 38 6.844 8.591 -21.662 1.00 0.00 C ATOM 502 C THR A 38 8.163 7.982 -21.174 1.00 0.00 C ATOM 503 O THR A 38 8.321 6.764 -21.181 1.00 0.00 O ATOM 504 CB THR A 38 5.979 8.997 -20.462 1.00 0.00 C ATOM 505 OG1 THR A 38 4.644 9.240 -20.869 1.00 0.00 O ATOM 506 CG2 THR A 38 6.464 10.234 -19.736 1.00 0.00 C ATOM 0 H THR A 38 6.064 6.693 -22.081 1.00 0.00 H new ATOM 0 HA THR A 38 7.075 9.470 -22.264 1.00 0.00 H new ATOM 0 HB THR A 38 6.047 8.154 -19.775 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.106 9.496 -20.091 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.797 10.451 -18.902 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.472 10.063 -19.359 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.473 11.080 -20.424 1.00 0.00 H new ATOM 514 N ALA A 39 9.098 8.832 -20.738 1.00 0.00 N ATOM 515 CA ALA A 39 10.397 8.370 -20.229 1.00 0.00 C ATOM 516 C ALA A 39 10.229 7.133 -19.348 1.00 0.00 C ATOM 517 O ALA A 39 10.852 6.103 -19.572 1.00 0.00 O ATOM 518 CB ALA A 39 11.072 9.487 -19.444 1.00 0.00 C ATOM 0 H ALA A 39 8.981 9.845 -20.727 1.00 0.00 H new ATOM 0 HA ALA A 39 11.024 8.099 -21.078 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.034 9.138 -19.069 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.226 10.347 -20.095 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.439 9.776 -18.605 1.00 0.00 H new ATOM 524 N GLU A 40 9.353 7.256 -18.366 1.00 0.00 N ATOM 525 CA GLU A 40 9.038 6.170 -17.441 1.00 0.00 C ATOM 526 C GLU A 40 8.378 4.987 -18.165 1.00 0.00 C ATOM 527 O GLU A 40 7.816 4.096 -17.527 1.00 0.00 O ATOM 528 CB GLU A 40 8.138 6.676 -16.319 1.00 0.00 C ATOM 529 CG GLU A 40 8.844 6.768 -14.976 1.00 0.00 C ATOM 530 CD GLU A 40 10.016 7.726 -15.000 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.908 7.549 -15.855 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.042 8.652 -14.163 1.00 0.00 O ATOM 0 H GLU A 40 8.835 8.115 -18.183 1.00 0.00 H new ATOM 0 HA GLU A 40 9.975 5.815 -17.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.753 7.660 -16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.279 6.012 -16.225 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.132 7.090 -14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.195 5.778 -14.685 1.00 0.00 H new ATOM 539 N ALA A 41 8.417 5.003 -19.498 1.00 0.00 N ATOM 540 CA ALA A 41 7.792 3.958 -20.300 1.00 0.00 C ATOM 541 C ALA A 41 8.675 3.449 -21.435 1.00 0.00 C ATOM 542 O ALA A 41 8.315 2.502 -22.141 1.00 0.00 O ATOM 543 CB ALA A 41 6.527 4.505 -20.888 1.00 0.00 C ATOM 0 H ALA A 41 8.877 5.732 -20.044 1.00 0.00 H new ATOM 0 HA ALA A 41 7.607 3.113 -19.637 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.045 3.737 -21.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.855 4.811 -20.086 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.760 5.366 -21.514 1.00 0.00 H new ATOM 549 N LEU A 42 9.847 4.028 -21.576 1.00 0.00 N ATOM 550 CA LEU A 42 10.794 3.596 -22.586 1.00 0.00 C ATOM 551 C LEU A 42 11.370 2.218 -22.250 1.00 0.00 C ATOM 552 O LEU A 42 12.043 1.595 -23.072 1.00 0.00 O ATOM 553 CB LEU A 42 11.930 4.617 -22.717 1.00 0.00 C ATOM 554 CG LEU A 42 12.687 4.987 -21.421 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.255 4.138 -20.229 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.187 4.862 -21.638 1.00 0.00 C ATOM 0 H LEU A 42 10.171 4.805 -21.000 1.00 0.00 H new ATOM 0 HA LEU A 42 10.263 3.523 -23.535 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.654 4.230 -23.434 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.517 5.532 -23.142 1.00 0.00 H new ATOM 0 HG LEU A 42 12.435 6.021 -21.186 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.817 4.439 -19.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.190 4.281 -20.047 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.449 3.087 -20.442 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.711 5.125 -20.719 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.431 3.836 -21.914 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.496 5.535 -22.437 1.00 0.00 H new ATOM 568 N ARG A 43 11.111 1.762 -21.027 1.00 0.00 N ATOM 569 CA ARG A 43 11.605 0.482 -20.544 1.00 0.00 C ATOM 570 C ARG A 43 11.140 -0.692 -21.391 1.00 0.00 C ATOM 571 O ARG A 43 11.630 -1.806 -21.227 1.00 0.00 O ATOM 572 CB ARG A 43 11.158 0.280 -19.117 1.00 0.00 C ATOM 573 CG ARG A 43 12.291 -0.076 -18.168 1.00 0.00 C ATOM 574 CD ARG A 43 13.396 0.968 -18.207 1.00 0.00 C ATOM 575 NE ARG A 43 13.432 1.779 -16.991 1.00 0.00 N ATOM 576 CZ ARG A 43 13.827 3.053 -16.958 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.215 3.668 -18.067 1.00 0.00 N ATOM 578 NH2 ARG A 43 13.838 3.714 -15.809 1.00 0.00 N ATOM 0 H ARG A 43 10.551 2.273 -20.344 1.00 0.00 H new ATOM 0 HA ARG A 43 12.693 0.512 -20.609 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.673 1.190 -18.765 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.409 -0.512 -19.088 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.904 -0.161 -17.153 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.699 -1.050 -18.436 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.358 0.472 -18.340 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.250 1.617 -19.070 1.00 0.00 H new ATOM 0 HE ARG A 43 13.138 1.345 -16.116 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.213 3.167 -18.955 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.515 4.642 -18.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.545 3.249 -14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.140 4.688 -15.784 1.00 0.00 H new ATOM 592 N CYS A 44 10.212 -0.449 -22.301 1.00 0.00 N ATOM 593 CA CYS A 44 9.725 -1.508 -23.163 1.00 0.00 C ATOM 594 C CYS A 44 10.859 -2.020 -24.044 1.00 0.00 C ATOM 595 O CYS A 44 10.756 -3.081 -24.655 1.00 0.00 O ATOM 596 CB CYS A 44 8.550 -1.030 -23.993 1.00 0.00 C ATOM 597 SG CYS A 44 6.965 -0.977 -23.085 1.00 0.00 S ATOM 0 H CYS A 44 9.785 0.464 -22.460 1.00 0.00 H new ATOM 0 HA CYS A 44 9.371 -2.334 -22.546 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.771 -0.033 -24.375 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.439 -1.685 -24.857 1.00 0.00 H new ATOM 602 N GLN A 45 11.972 -1.283 -24.051 1.00 0.00 N ATOM 603 CA GLN A 45 13.148 -1.694 -24.783 1.00 0.00 C ATOM 604 C GLN A 45 13.659 -2.996 -24.164 1.00 0.00 C ATOM 605 O GLN A 45 14.346 -3.795 -24.799 1.00 0.00 O ATOM 606 CB GLN A 45 14.219 -0.610 -24.704 1.00 0.00 C ATOM 607 CG GLN A 45 14.385 0.186 -25.989 1.00 0.00 C ATOM 608 CD GLN A 45 13.881 1.611 -25.862 1.00 0.00 C ATOM 609 OE1 GLN A 45 12.946 2.016 -26.553 1.00 0.00 O ATOM 610 NE2 GLN A 45 14.500 2.382 -24.974 1.00 0.00 N ATOM 0 H GLN A 45 12.073 -0.398 -23.553 1.00 0.00 H new ATOM 0 HA GLN A 45 12.906 -1.851 -25.834 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.970 0.075 -23.893 1.00 0.00 H new ATOM 0 HB3 GLN A 45 15.172 -1.073 -24.449 1.00 0.00 H new ATOM 0 HG2 GLN A 45 15.438 0.201 -26.269 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.848 -0.315 -26.794 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.271 2.006 -24.422 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.204 3.350 -24.845 1.00 0.00 H new ATOM 619 N GLU A 46 13.264 -3.184 -22.905 1.00 0.00 N ATOM 620 CA GLU A 46 13.618 -4.376 -22.156 1.00 0.00 C ATOM 621 C GLU A 46 12.879 -5.557 -22.765 1.00 0.00 C ATOM 622 O GLU A 46 13.324 -6.702 -22.683 1.00 0.00 O ATOM 623 CB GLU A 46 13.257 -4.230 -20.673 1.00 0.00 C ATOM 624 CG GLU A 46 11.766 -4.348 -20.386 1.00 0.00 C ATOM 625 CD GLU A 46 11.300 -5.785 -20.255 1.00 0.00 C ATOM 626 OE1 GLU A 46 12.120 -6.701 -20.472 1.00 0.00 O ATOM 627 OE2 GLU A 46 10.111 -5.996 -19.937 1.00 0.00 O ATOM 0 H GLU A 46 12.695 -2.517 -22.385 1.00 0.00 H new ATOM 0 HA GLU A 46 14.695 -4.532 -22.213 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.788 -4.992 -20.103 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.610 -3.262 -20.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.535 -3.812 -19.466 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.208 -3.862 -21.186 1.00 0.00 H new ATOM 634 N GLU A 47 11.756 -5.254 -23.415 1.00 0.00 N ATOM 635 CA GLU A 47 10.961 -6.277 -24.080 1.00 0.00 C ATOM 636 C GLU A 47 11.569 -6.629 -25.441 1.00 0.00 C ATOM 637 O GLU A 47 10.984 -7.388 -26.214 1.00 0.00 O ATOM 638 CB GLU A 47 9.517 -5.800 -24.258 1.00 0.00 C ATOM 639 CG GLU A 47 8.550 -6.384 -23.245 1.00 0.00 C ATOM 640 CD GLU A 47 7.163 -6.592 -23.821 1.00 0.00 C ATOM 641 OE1 GLU A 47 6.577 -5.612 -24.327 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.664 -7.734 -23.768 1.00 0.00 O ATOM 0 H GLU A 47 11.379 -4.309 -23.493 1.00 0.00 H new ATOM 0 HA GLU A 47 10.961 -7.170 -23.455 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.492 -4.713 -24.186 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.179 -6.061 -25.261 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.937 -7.337 -22.885 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.486 -5.720 -22.383 1.00 0.00 H new ATOM 649 N ASN A 48 12.747 -6.068 -25.728 1.00 0.00 N ATOM 650 CA ASN A 48 13.432 -6.308 -26.980 1.00 0.00 C ATOM 651 C ASN A 48 14.619 -7.254 -26.793 1.00 0.00 C ATOM 652 O ASN A 48 15.080 -7.877 -27.748 1.00 0.00 O ATOM 653 CB ASN A 48 13.914 -4.982 -27.575 1.00 0.00 C ATOM 654 CG ASN A 48 14.522 -5.151 -28.954 1.00 0.00 C ATOM 655 OD1 ASN A 48 15.507 -5.868 -29.128 1.00 0.00 O ATOM 656 ND2 ASN A 48 13.938 -4.483 -29.942 1.00 0.00 N ATOM 0 H ASN A 48 13.242 -5.439 -25.096 1.00 0.00 H new ATOM 0 HA ASN A 48 12.727 -6.780 -27.664 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.076 -4.288 -27.634 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.652 -4.535 -26.908 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.304 -4.553 -30.891 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.123 -3.900 -29.752 1.00 0.00 H new ATOM 663 N TYR A 49 15.107 -7.365 -25.559 1.00 0.00 N ATOM 664 CA TYR A 49 16.242 -8.238 -25.266 1.00 0.00 C ATOM 665 C TYR A 49 15.866 -9.698 -25.484 1.00 0.00 C ATOM 666 O TYR A 49 16.230 -10.296 -26.496 1.00 0.00 O ATOM 667 CB TYR A 49 16.729 -8.027 -23.830 1.00 0.00 C ATOM 668 CG TYR A 49 17.383 -6.681 -23.611 1.00 0.00 C ATOM 669 CD1 TYR A 49 18.441 -6.264 -24.409 1.00 0.00 C ATOM 670 CD2 TYR A 49 16.936 -5.825 -22.613 1.00 0.00 C ATOM 671 CE1 TYR A 49 19.035 -5.032 -24.217 1.00 0.00 C ATOM 672 CE2 TYR A 49 17.524 -4.590 -22.418 1.00 0.00 C ATOM 673 CZ TYR A 49 18.573 -4.198 -23.221 1.00 0.00 C ATOM 674 OH TYR A 49 19.161 -2.969 -23.029 1.00 0.00 O ATOM 0 H TYR A 49 14.737 -6.865 -24.751 1.00 0.00 H new ATOM 0 HA TYR A 49 17.052 -7.982 -25.949 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.884 -8.128 -23.149 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.439 -8.814 -23.575 1.00 0.00 H new ATOM 0 HD1 TYR A 49 18.805 -6.913 -25.192 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.116 -6.129 -21.979 1.00 0.00 H new ATOM 0 HE1 TYR A 49 19.858 -4.723 -24.844 1.00 0.00 H new ATOM 0 HE2 TYR A 49 17.163 -3.934 -21.639 1.00 0.00 H new ATOM 0 HH TYR A 49 18.716 -2.506 -22.289 1.00 0.00 H new ATOM 684 N LEU A 50 15.137 -10.264 -24.529 1.00 0.00 N ATOM 685 CA LEU A 50 14.702 -11.653 -24.618 1.00 0.00 C ATOM 686 C LEU A 50 13.215 -11.720 -24.967 1.00 0.00 C ATOM 687 O LEU A 50 12.363 -11.738 -24.078 1.00 0.00 O ATOM 688 CB LEU A 50 14.967 -12.376 -23.293 1.00 0.00 C ATOM 689 CG LEU A 50 15.669 -13.730 -23.419 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.081 -13.550 -23.955 1.00 0.00 C ATOM 691 CD2 LEU A 50 15.693 -14.445 -22.076 1.00 0.00 C ATOM 0 H LEU A 50 14.834 -9.782 -23.683 1.00 0.00 H new ATOM 0 HA LEU A 50 15.269 -12.147 -25.407 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.572 -11.728 -22.659 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.016 -12.524 -22.782 1.00 0.00 H new ATOM 0 HG LEU A 50 15.110 -14.344 -24.125 1.00 0.00 H new ATOM 0 HD11 LEU A 50 17.565 -14.523 -24.038 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.040 -13.080 -24.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 17.651 -12.918 -23.274 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.196 -15.406 -22.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 16.229 -13.835 -21.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.672 -14.607 -21.732 1.00 0.00 H new ATOM 703 N PRO A 51 12.883 -11.741 -26.272 1.00 0.00 N ATOM 704 CA PRO A 51 11.496 -11.791 -26.744 1.00 0.00 C ATOM 705 C PRO A 51 10.615 -12.728 -25.925 1.00 0.00 C ATOM 706 O PRO A 51 10.537 -13.925 -26.203 1.00 0.00 O ATOM 707 CB PRO A 51 11.657 -12.305 -28.167 1.00 0.00 C ATOM 708 CG PRO A 51 12.927 -11.680 -28.610 1.00 0.00 C ATOM 709 CD PRO A 51 13.831 -11.704 -27.404 1.00 0.00 C ATOM 0 HA PRO A 51 10.997 -10.825 -26.664 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.711 -13.393 -28.199 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.820 -12.009 -28.799 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.367 -12.232 -29.441 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.762 -10.660 -28.956 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.486 -12.575 -27.409 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.472 -10.823 -27.364 1.00 0.00 H new ATOM 717 N SER A 52 9.951 -12.170 -24.921 1.00 0.00 N ATOM 718 CA SER A 52 9.068 -12.950 -24.065 1.00 0.00 C ATOM 719 C SER A 52 7.936 -12.084 -23.518 1.00 0.00 C ATOM 720 O SER A 52 7.780 -11.948 -22.304 1.00 0.00 O ATOM 721 CB SER A 52 9.860 -13.569 -22.911 1.00 0.00 C ATOM 722 OG SER A 52 10.801 -14.515 -23.387 1.00 0.00 O ATOM 0 H SER A 52 10.007 -11.181 -24.680 1.00 0.00 H new ATOM 0 HA SER A 52 8.631 -13.748 -24.665 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.377 -12.784 -22.358 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.175 -14.052 -22.214 1.00 0.00 H new ATOM 0 HG SER A 52 11.295 -14.894 -22.630 1.00 0.00 H new ATOM 728 N PRO A 53 7.122 -11.484 -24.407 1.00 0.00 N ATOM 729 CA PRO A 53 6.001 -10.637 -23.996 1.00 0.00 C ATOM 730 C PRO A 53 4.931 -11.440 -23.271 1.00 0.00 C ATOM 731 O PRO A 53 3.935 -11.847 -23.868 1.00 0.00 O ATOM 732 CB PRO A 53 5.450 -10.076 -25.317 1.00 0.00 C ATOM 733 CG PRO A 53 6.502 -10.353 -26.337 1.00 0.00 C ATOM 734 CD PRO A 53 7.217 -11.587 -25.871 1.00 0.00 C ATOM 0 HA PRO A 53 6.312 -9.858 -23.299 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.508 -10.555 -25.584 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.252 -9.007 -25.237 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.060 -10.507 -27.321 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.191 -9.513 -26.425 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.743 -12.495 -26.244 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.253 -11.606 -26.209 1.00 0.00 H new ATOM 742 N CYS A 54 5.144 -11.676 -21.981 1.00 0.00 N ATOM 743 CA CYS A 54 4.216 -12.442 -21.173 1.00 0.00 C ATOM 744 C CYS A 54 3.012 -11.614 -20.737 1.00 0.00 C ATOM 745 O CYS A 54 2.850 -10.465 -21.150 1.00 0.00 O ATOM 746 CB CYS A 54 4.944 -12.991 -19.944 1.00 0.00 C ATOM 747 SG CYS A 54 5.247 -11.777 -18.604 1.00 0.00 S ATOM 0 H CYS A 54 5.962 -11.341 -21.472 1.00 0.00 H new ATOM 0 HA CYS A 54 3.840 -13.262 -21.785 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.362 -13.818 -19.537 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.902 -13.401 -20.263 1.00 0.00 H new ATOM 752 N GLN A 55 2.175 -12.215 -19.888 1.00 0.00 N ATOM 753 CA GLN A 55 0.982 -11.554 -19.367 1.00 0.00 C ATOM 754 C GLN A 55 0.293 -10.719 -20.449 1.00 0.00 C ATOM 755 O GLN A 55 0.507 -9.511 -20.551 1.00 0.00 O ATOM 756 CB GLN A 55 1.354 -10.691 -18.151 1.00 0.00 C ATOM 757 CG GLN A 55 0.283 -9.688 -17.752 1.00 0.00 C ATOM 758 CD GLN A 55 0.244 -9.447 -16.254 1.00 0.00 C ATOM 759 OE1 GLN A 55 1.237 -9.035 -15.658 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.906 -9.698 -15.640 1.00 0.00 N ATOM 0 H GLN A 55 2.306 -13.167 -19.546 1.00 0.00 H new ATOM 0 HA GLN A 55 0.272 -12.317 -19.049 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.558 -11.345 -17.303 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.277 -10.154 -18.369 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.465 -8.743 -18.264 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.690 -10.049 -18.085 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.705 -10.039 -16.174 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.990 -9.550 -14.634 1.00 0.00 H new ATOM 769 N SER A 56 -0.518 -11.388 -21.267 1.00 0.00 N ATOM 770 CA SER A 56 -1.230 -10.733 -22.356 1.00 0.00 C ATOM 771 C SER A 56 -2.076 -9.559 -21.857 1.00 0.00 C ATOM 772 O SER A 56 -1.614 -8.419 -21.843 1.00 0.00 O ATOM 773 CB SER A 56 -2.111 -11.745 -23.096 1.00 0.00 C ATOM 774 OG SER A 56 -2.488 -12.812 -22.244 1.00 0.00 O ATOM 0 H SER A 56 -0.697 -12.389 -21.193 1.00 0.00 H new ATOM 0 HA SER A 56 -0.485 -10.333 -23.044 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.003 -11.246 -23.476 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.573 -12.137 -23.959 1.00 0.00 H new ATOM 0 HG SER A 56 -3.051 -13.443 -22.739 1.00 0.00 H new ATOM 780 N GLY A 57 -3.316 -9.838 -21.458 1.00 0.00 N ATOM 781 CA GLY A 57 -4.196 -8.784 -20.980 1.00 0.00 C ATOM 782 C GLY A 57 -4.361 -8.798 -19.477 1.00 0.00 C ATOM 783 O GLY A 57 -4.247 -9.846 -18.843 1.00 0.00 O ATOM 0 H GLY A 57 -3.726 -10.772 -21.457 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.799 -7.817 -21.289 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.174 -8.892 -21.450 1.00 0.00 H new ATOM 787 N GLN A 58 -4.623 -7.627 -18.903 1.00 0.00 N ATOM 788 CA GLN A 58 -4.795 -7.501 -17.468 1.00 0.00 C ATOM 789 C GLN A 58 -6.252 -7.271 -17.092 1.00 0.00 C ATOM 790 O GLN A 58 -6.894 -6.355 -17.601 1.00 0.00 O ATOM 791 CB GLN A 58 -3.970 -6.343 -16.949 1.00 0.00 C ATOM 792 CG GLN A 58 -2.684 -6.777 -16.272 1.00 0.00 C ATOM 793 CD GLN A 58 -2.658 -6.449 -14.792 1.00 0.00 C ATOM 794 OE1 GLN A 58 -3.227 -7.332 -13.983 1.00 0.00 O flip ATOM 795 NE2 GLN A 58 -2.131 -5.414 -14.381 1.00 0.00 N flip ATOM 0 H GLN A 58 -4.720 -6.751 -19.417 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.464 -8.437 -17.018 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.729 -5.678 -17.778 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.568 -5.768 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.554 -7.851 -16.403 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.840 -6.292 -16.762 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.705 -4.762 -15.040 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.121 -5.209 -13.382 1.00 0.00 H new ATOM 804 N LYS A 59 -6.784 -8.149 -16.257 1.00 0.00 N ATOM 805 CA LYS A 59 -8.182 -8.114 -15.843 1.00 0.00 C ATOM 806 C LYS A 59 -8.846 -6.747 -15.993 1.00 0.00 C ATOM 807 O LYS A 59 -8.794 -5.907 -15.091 1.00 0.00 O ATOM 808 CB LYS A 59 -8.298 -8.580 -14.390 1.00 0.00 C ATOM 809 CG LYS A 59 -7.312 -7.901 -13.451 1.00 0.00 C ATOM 810 CD LYS A 59 -6.189 -8.842 -13.035 1.00 0.00 C ATOM 811 CE LYS A 59 -6.203 -9.108 -11.538 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.914 -10.373 -11.206 1.00 0.00 N ATOM 0 H LYS A 59 -6.254 -8.915 -15.842 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.714 -8.786 -16.516 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.312 -8.391 -14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.142 -9.658 -14.350 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.889 -7.024 -13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.838 -7.548 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.286 -9.785 -13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.229 -8.411 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.179 -9.160 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.685 -8.275 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.902 -10.518 -10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.899 -10.315 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.439 -11.171 -11.674 1.00 0.00 H new ATOM 826 N PRO A 60 -9.488 -6.518 -17.160 1.00 0.00 N ATOM 827 CA PRO A 60 -10.188 -5.274 -17.450 1.00 0.00 C ATOM 828 C PRO A 60 -11.043 -4.843 -16.270 1.00 0.00 C ATOM 829 O PRO A 60 -11.300 -5.651 -15.377 1.00 0.00 O ATOM 830 CB PRO A 60 -11.083 -5.632 -18.635 1.00 0.00 C ATOM 831 CG PRO A 60 -10.388 -6.753 -19.324 1.00 0.00 C ATOM 832 CD PRO A 60 -9.561 -7.463 -18.283 1.00 0.00 C ATOM 0 HA PRO A 60 -9.504 -4.450 -17.655 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.077 -5.930 -18.302 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.213 -4.780 -19.302 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.109 -7.435 -19.775 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.756 -6.379 -20.129 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.025 -8.402 -17.981 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.568 -7.705 -18.663 1.00 0.00 H new ATOM 840 N CYS A 61 -11.483 -3.585 -16.228 1.00 0.00 N ATOM 841 CA CYS A 61 -12.281 -3.125 -15.122 1.00 0.00 C ATOM 842 C CYS A 61 -13.279 -2.059 -15.526 1.00 0.00 C ATOM 843 O CYS A 61 -13.058 -1.272 -16.451 1.00 0.00 O ATOM 844 CB CYS A 61 -11.411 -2.539 -14.017 1.00 0.00 C ATOM 845 SG CYS A 61 -9.827 -1.795 -14.577 1.00 0.00 S ATOM 0 H CYS A 61 -11.296 -2.883 -16.944 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.816 -4.006 -14.767 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.985 -1.777 -13.490 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.189 -3.326 -13.296 1.00 0.00 H new ATOM 850 N GLY A 62 -14.399 -2.105 -14.819 1.00 0.00 N ATOM 851 CA GLY A 62 -15.521 -1.207 -15.042 1.00 0.00 C ATOM 852 C GLY A 62 -15.163 0.220 -15.434 1.00 0.00 C ATOM 853 O GLY A 62 -16.027 0.953 -15.915 1.00 0.00 O ATOM 0 H GLY A 62 -14.555 -2.775 -14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.151 -1.631 -15.824 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.121 -1.174 -14.133 1.00 0.00 H new ATOM 857 N SER A 63 -13.915 0.613 -15.288 1.00 0.00 N ATOM 858 CA SER A 63 -13.512 1.935 -15.694 1.00 0.00 C ATOM 859 C SER A 63 -13.043 1.891 -17.150 1.00 0.00 C ATOM 860 O SER A 63 -12.080 2.552 -17.540 1.00 0.00 O ATOM 861 CB SER A 63 -12.431 2.481 -14.767 1.00 0.00 C ATOM 862 OG SER A 63 -12.159 3.846 -15.039 1.00 0.00 O ATOM 0 H SER A 63 -13.170 0.038 -14.894 1.00 0.00 H new ATOM 0 HA SER A 63 -14.361 2.615 -15.623 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.749 2.371 -13.730 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.519 1.896 -14.885 1.00 0.00 H new ATOM 0 HG SER A 63 -11.897 3.947 -15.978 1.00 0.00 H new ATOM 868 N GLY A 64 -13.768 1.090 -17.939 1.00 0.00 N ATOM 869 CA GLY A 64 -13.493 0.918 -19.357 1.00 0.00 C ATOM 870 C GLY A 64 -12.040 0.717 -19.695 1.00 0.00 C ATOM 871 O GLY A 64 -11.422 1.571 -20.329 1.00 0.00 O ATOM 0 H GLY A 64 -14.562 0.545 -17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.059 0.061 -19.722 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.859 1.793 -19.893 1.00 0.00 H new ATOM 875 N GLY A 65 -11.488 -0.399 -19.270 1.00 0.00 N ATOM 876 CA GLY A 65 -10.098 -0.703 -19.525 1.00 0.00 C ATOM 877 C GLY A 65 -9.545 -1.732 -18.563 1.00 0.00 C ATOM 878 O GLY A 65 -10.304 -2.457 -17.935 1.00 0.00 O ATOM 0 H GLY A 65 -11.986 -1.116 -18.742 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.991 -1.070 -20.546 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.510 0.212 -19.452 1.00 0.00 H new ATOM 882 N ARG A 66 -8.232 -1.803 -18.449 1.00 0.00 N ATOM 883 CA ARG A 66 -7.623 -2.763 -17.543 1.00 0.00 C ATOM 884 C ARG A 66 -7.203 -2.131 -16.254 1.00 0.00 C ATOM 885 O ARG A 66 -6.947 -0.939 -16.207 1.00 0.00 O ATOM 886 CB ARG A 66 -6.457 -3.508 -18.148 1.00 0.00 C ATOM 887 CG ARG A 66 -6.563 -3.712 -19.651 1.00 0.00 C ATOM 888 CD ARG A 66 -7.855 -4.426 -20.020 1.00 0.00 C ATOM 889 NE ARG A 66 -7.795 -5.024 -21.352 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.209 -4.417 -22.462 1.00 0.00 C ATOM 891 NH1 ARG A 66 -8.703 -3.186 -22.414 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.126 -5.044 -23.627 1.00 0.00 N ATOM 0 H ARG A 66 -7.574 -1.218 -18.963 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.408 -3.493 -17.342 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.539 -2.963 -17.930 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.372 -4.481 -17.665 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.521 -2.747 -20.155 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.710 -4.293 -20.003 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.062 -5.203 -19.284 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.683 -3.719 -19.978 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.412 -5.966 -21.436 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.768 -2.697 -21.521 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.018 -2.729 -23.270 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.746 -5.989 -23.671 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.443 -4.581 -24.479 1.00 0.00 H new ATOM 906 N CYS A 67 -7.064 -2.942 -15.207 1.00 0.00 N ATOM 907 CA CYS A 67 -6.612 -2.447 -13.922 1.00 0.00 C ATOM 908 C CYS A 67 -5.125 -2.134 -13.955 1.00 0.00 C ATOM 909 O CYS A 67 -4.377 -2.485 -13.043 1.00 0.00 O ATOM 910 CB CYS A 67 -6.921 -3.480 -12.853 1.00 0.00 C ATOM 911 SG CYS A 67 -6.467 -2.983 -11.162 1.00 0.00 S ATOM 0 H CYS A 67 -7.259 -3.943 -15.230 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.138 -1.521 -13.690 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.988 -3.701 -12.878 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.398 -4.404 -13.098 1.00 0.00 H new ATOM 916 N ALA A 68 -4.715 -1.498 -15.034 1.00 0.00 N ATOM 917 CA ALA A 68 -3.326 -1.132 -15.265 1.00 0.00 C ATOM 918 C ALA A 68 -2.516 -0.960 -13.967 1.00 0.00 C ATOM 919 O ALA A 68 -1.991 -1.931 -13.419 1.00 0.00 O ATOM 920 CB ALA A 68 -3.300 0.131 -16.098 1.00 0.00 C ATOM 0 H ALA A 68 -5.343 -1.216 -15.787 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.841 -1.951 -15.797 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.266 0.424 -16.283 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.802 -0.050 -17.049 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.813 0.930 -15.563 1.00 0.00 H new ATOM 926 N ALA A 69 -2.373 0.287 -13.527 1.00 0.00 N ATOM 927 CA ALA A 69 -1.606 0.703 -12.346 1.00 0.00 C ATOM 928 C ALA A 69 -2.210 0.319 -10.994 1.00 0.00 C ATOM 929 O ALA A 69 -3.144 -0.476 -10.901 1.00 0.00 O ATOM 930 CB ALA A 69 -1.352 2.203 -12.407 1.00 0.00 C ATOM 0 H ALA A 69 -2.808 1.077 -14.004 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.673 0.142 -12.395 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.783 2.512 -11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.787 2.440 -13.308 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.304 2.733 -12.426 1.00 0.00 H new ATOM 936 N ALA A 70 -1.743 1.055 -9.973 1.00 0.00 N ATOM 937 CA ALA A 70 -2.325 0.960 -8.659 1.00 0.00 C ATOM 938 C ALA A 70 -3.666 1.601 -8.812 1.00 0.00 C ATOM 939 O ALA A 70 -3.753 2.826 -8.792 1.00 0.00 O ATOM 940 CB ALA A 70 -1.567 1.723 -7.595 1.00 0.00 C ATOM 0 H ALA A 70 -0.968 1.714 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.333 -0.081 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.068 1.602 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.550 1.337 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.536 2.780 -7.858 1.00 0.00 H new ATOM 946 N GLY A 71 -4.686 0.818 -9.067 1.00 0.00 N ATOM 947 CA GLY A 71 -5.950 1.421 -9.318 1.00 0.00 C ATOM 948 C GLY A 71 -5.800 2.396 -10.470 1.00 0.00 C ATOM 949 O GLY A 71 -5.731 3.607 -10.290 1.00 0.00 O ATOM 0 H GLY A 71 -4.660 -0.201 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.691 0.659 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.306 1.939 -8.427 1.00 0.00 H new ATOM 953 N ILE A 72 -5.801 1.843 -11.654 1.00 0.00 N ATOM 954 CA ILE A 72 -5.714 2.566 -12.897 1.00 0.00 C ATOM 955 C ILE A 72 -6.302 1.653 -13.925 1.00 0.00 C ATOM 956 O ILE A 72 -5.775 0.572 -14.173 1.00 0.00 O ATOM 957 CB ILE A 72 -4.265 2.952 -13.287 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.900 4.263 -12.632 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.071 3.067 -14.799 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.173 5.483 -13.501 1.00 0.00 C ATOM 0 H ILE A 72 -5.865 0.833 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.243 3.515 -12.813 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.612 2.152 -12.937 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.458 4.360 -11.701 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.842 4.245 -12.370 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.038 3.340 -15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.299 2.110 -15.269 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.738 3.833 -15.194 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.885 6.386 -12.962 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.595 5.410 -14.422 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.235 5.528 -13.742 1.00 0.00 H new ATOM 972 N CYS A 73 -7.385 2.069 -14.521 1.00 0.00 N ATOM 973 CA CYS A 73 -8.004 1.272 -15.516 1.00 0.00 C ATOM 974 C CYS A 73 -7.569 1.881 -16.819 1.00 0.00 C ATOM 975 O CYS A 73 -8.012 2.962 -17.231 1.00 0.00 O ATOM 976 CB CYS A 73 -9.515 1.165 -15.281 1.00 0.00 C ATOM 977 SG CYS A 73 -10.320 -0.344 -15.932 1.00 0.00 S ATOM 0 H CYS A 73 -7.849 2.957 -14.328 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.701 0.225 -15.502 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.701 1.219 -14.208 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.996 2.033 -15.732 1.00 0.00 H new ATOM 982 N CYS A 74 -6.560 1.240 -17.371 1.00 0.00 N ATOM 983 CA CYS A 74 -5.899 1.723 -18.544 1.00 0.00 C ATOM 984 C CYS A 74 -5.581 0.605 -19.491 1.00 0.00 C ATOM 985 O CYS A 74 -5.524 -0.565 -19.111 1.00 0.00 O ATOM 986 CB CYS A 74 -4.593 2.363 -18.107 1.00 0.00 C ATOM 987 SG CYS A 74 -3.349 2.629 -19.425 1.00 0.00 S ATOM 0 H CYS A 74 -6.181 0.365 -17.009 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.552 2.432 -19.054 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.819 3.326 -17.648 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.146 1.738 -17.334 1.00 0.00 H new ATOM 992 N SER A 75 -5.329 0.982 -20.716 1.00 0.00 N ATOM 993 CA SER A 75 -4.958 0.023 -21.717 1.00 0.00 C ATOM 994 C SER A 75 -3.615 0.462 -22.301 1.00 0.00 C ATOM 995 O SER A 75 -2.763 0.930 -21.551 1.00 0.00 O ATOM 996 CB SER A 75 -6.075 0.004 -22.761 1.00 0.00 C ATOM 997 OG SER A 75 -7.322 -0.309 -22.165 1.00 0.00 O ATOM 0 H SER A 75 -5.374 1.947 -21.043 1.00 0.00 H new ATOM 0 HA SER A 75 -4.840 -0.987 -21.324 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.136 0.976 -23.251 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.843 -0.729 -23.534 1.00 0.00 H new ATOM 0 HG SER A 75 -8.021 -0.314 -22.852 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.392 0.412 -23.621 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.156 0.911 -24.175 1.00 0.00 C ATOM 1005 C PRO A 76 -2.315 2.385 -24.524 1.00 0.00 C ATOM 1006 O PRO A 76 -1.346 3.136 -24.622 1.00 0.00 O ATOM 1007 CB PRO A 76 -1.977 0.083 -25.443 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.342 -0.400 -25.824 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.281 -0.093 -24.682 1.00 0.00 C ATOM 0 HA PRO A 76 -1.308 0.831 -23.495 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.540 0.683 -26.241 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.302 -0.755 -25.268 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.679 0.091 -26.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.325 -1.471 -26.026 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.027 0.650 -24.966 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.823 -0.982 -24.360 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.561 2.736 -24.820 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.978 4.083 -25.304 1.00 0.00 C ATOM 1019 C ASP A 77 -3.804 5.148 -24.266 1.00 0.00 C ATOM 1020 O ASP A 77 -2.980 6.049 -24.434 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.436 4.049 -25.766 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.595 4.464 -27.214 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.002 5.490 -27.607 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.311 3.761 -27.958 1.00 0.00 O ATOM 0 H ASP A 77 -4.343 2.087 -24.734 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.327 4.334 -26.141 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.832 3.042 -25.634 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.029 4.710 -25.135 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.508 5.019 -23.128 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.305 5.968 -22.038 1.00 0.00 C ATOM 1031 C GLY A 78 -4.724 5.415 -20.694 1.00 0.00 C ATOM 1032 O GLY A 78 -5.558 4.501 -20.637 1.00 0.00 O ATOM 0 H GLY A 78 -5.199 4.290 -22.948 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.253 6.249 -21.998 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.870 6.877 -22.244 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.151 5.913 -19.602 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.500 5.402 -18.284 1.00 0.00 C ATOM 1038 C CYS A 79 -5.129 6.416 -17.366 1.00 0.00 C ATOM 1039 O CYS A 79 -4.753 7.587 -17.336 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.284 4.885 -17.549 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.112 3.995 -18.602 1.00 0.00 S ATOM 0 H CYS A 79 -3.454 6.658 -19.604 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.222 4.615 -18.504 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.771 5.725 -17.081 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.611 4.224 -16.747 1.00 0.00 H new ATOM 1046 N GLU A 80 -6.102 5.931 -16.622 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.824 6.775 -15.681 1.00 0.00 C ATOM 1048 C GLU A 80 -7.118 6.026 -14.390 1.00 0.00 C ATOM 1049 O GLU A 80 -7.645 4.913 -14.425 1.00 0.00 O ATOM 1050 CB GLU A 80 -8.124 7.281 -16.306 1.00 0.00 C ATOM 1051 CG GLU A 80 -9.046 6.168 -16.779 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.503 6.583 -16.790 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.778 7.782 -17.004 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.371 5.708 -16.583 1.00 0.00 O ATOM 0 H GLU A 80 -6.413 4.960 -16.647 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.192 7.630 -15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.653 7.894 -15.577 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.884 7.926 -17.151 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.752 5.860 -17.782 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.924 5.300 -16.131 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.725 6.598 -13.241 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.900 5.929 -11.968 1.00 0.00 C ATOM 1063 C GLU A 81 -8.300 5.404 -11.819 1.00 0.00 C ATOM 1064 O GLU A 81 -9.266 6.161 -11.880 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.567 6.883 -10.821 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.996 8.312 -11.064 1.00 0.00 C ATOM 1067 CD GLU A 81 -5.880 9.311 -10.834 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.414 9.429 -9.680 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.473 9.979 -11.807 1.00 0.00 O ATOM 0 H GLU A 81 -6.288 7.517 -13.180 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.217 5.080 -11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.045 6.521 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.491 6.862 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.357 8.408 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.832 8.552 -10.407 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.404 4.103 -11.632 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.675 3.463 -11.491 1.00 0.00 C ATOM 1078 C ASP A 82 -9.978 3.175 -10.027 1.00 0.00 C ATOM 1079 O ASP A 82 -9.492 2.211 -9.442 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.724 2.194 -12.341 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.638 1.203 -11.995 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.082 1.307 -10.893 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.355 0.309 -12.822 1.00 0.00 O ATOM 0 H ASP A 82 -7.606 3.471 -11.575 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.451 4.138 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.696 1.717 -12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.637 2.466 -13.393 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.816 4.036 -9.428 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.251 3.921 -8.046 1.00 0.00 C ATOM 1090 C PRO A 83 -11.831 2.552 -7.818 1.00 0.00 C ATOM 1091 O PRO A 83 -11.984 2.080 -6.696 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.326 5.010 -7.937 1.00 0.00 C ATOM 1093 CG PRO A 83 -11.920 6.004 -8.952 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.414 5.179 -10.088 1.00 0.00 C ATOM 0 HA PRO A 83 -10.456 4.043 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.321 4.613 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.355 5.446 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.760 6.629 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.148 6.672 -8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.220 4.880 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.685 5.724 -10.688 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.115 1.914 -8.923 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.629 0.597 -8.931 1.00 0.00 C ATOM 1104 C ALA A 84 -11.555 -0.370 -8.461 1.00 0.00 C ATOM 1105 O ALA A 84 -11.850 -1.423 -7.896 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.056 0.283 -10.347 1.00 0.00 C ATOM 0 H ALA A 84 -11.988 2.315 -9.852 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.481 0.502 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.459 -0.729 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.822 0.992 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.196 0.359 -11.012 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.304 -0.028 -8.769 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.189 -0.887 -8.450 1.00 0.00 C ATOM 1114 C CYS A 85 -8.291 -0.488 -7.255 1.00 0.00 C ATOM 1115 O CYS A 85 -7.667 -1.399 -6.709 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.336 -1.130 -9.692 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.244 -2.876 -10.196 1.00 0.00 S ATOM 0 H CYS A 85 -10.048 0.840 -9.239 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.672 -1.801 -8.104 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.740 -0.545 -10.518 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.327 -0.763 -9.505 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.156 0.799 -6.803 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.220 0.999 -5.651 1.00 0.00 C ATOM 1124 C ASP A 86 -6.840 2.413 -5.129 1.00 0.00 C ATOM 1125 O ASP A 86 -6.381 2.500 -3.991 1.00 0.00 O ATOM 1126 CB ASP A 86 -5.870 0.421 -6.052 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.007 0.072 -4.856 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -5.230 -1.001 -4.255 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.110 0.871 -4.518 1.00 0.00 O ATOM 0 H ASP A 86 -8.625 1.628 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.802 0.543 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.027 -0.473 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.343 1.140 -6.678 1.00 0.00 H new ATOM 1134 N PRO A 87 -6.825 3.492 -5.924 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.277 4.769 -5.487 1.00 0.00 C ATOM 1136 C PRO A 87 -7.281 5.865 -5.310 1.00 0.00 C ATOM 1137 O PRO A 87 -7.616 6.266 -4.194 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.369 5.099 -6.677 1.00 0.00 C ATOM 1139 CG PRO A 87 -5.836 4.194 -7.777 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.137 3.601 -7.316 1.00 0.00 C ATOM 0 HA PRO A 87 -5.811 4.696 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.457 6.147 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.321 4.921 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.970 4.749 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.102 3.413 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.992 4.248 -7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.354 2.639 -7.780 1.00 0.00 H new ATOM 1148 N GLU A 88 -7.753 6.355 -6.439 1.00 0.00 N ATOM 1149 CA GLU A 88 -8.732 7.430 -6.421 1.00 0.00 C ATOM 1150 C GLU A 88 -10.006 6.840 -5.830 1.00 0.00 C ATOM 1151 O GLU A 88 -11.058 7.468 -5.722 1.00 0.00 O ATOM 1152 CB GLU A 88 -8.978 7.929 -7.852 1.00 0.00 C ATOM 1153 CG GLU A 88 -9.693 9.269 -7.910 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.375 9.516 -9.243 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -9.864 9.029 -10.272 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -11.421 10.199 -9.255 1.00 0.00 O ATOM 0 H GLU A 88 -7.482 6.034 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.389 8.280 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.022 8.013 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.568 7.187 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.436 9.314 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.975 10.067 -7.721 1.00 0.00 H new ATOM 1163 N ALA A 89 -9.840 5.540 -5.575 1.00 0.00 N ATOM 1164 CA ALA A 89 -10.826 4.588 -5.119 1.00 0.00 C ATOM 1165 C ALA A 89 -11.468 4.765 -3.751 1.00 0.00 C ATOM 1166 O ALA A 89 -11.167 5.643 -2.944 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.150 3.224 -5.148 1.00 0.00 C ATOM 0 H ALA A 89 -8.928 5.100 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.669 4.732 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.853 2.462 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.830 2.998 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.282 3.234 -4.488 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.268 3.734 -3.540 1.00 0.00 N ATOM 1174 CA ALA A 90 -12.990 3.356 -2.374 1.00 0.00 C ATOM 1175 C ALA A 90 -12.198 2.232 -1.726 1.00 0.00 C ATOM 1176 O ALA A 90 -11.040 2.010 -2.082 1.00 0.00 O ATOM 1177 CB ALA A 90 -14.335 2.818 -2.810 1.00 0.00 C ATOM 0 H ALA A 90 -12.436 3.066 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.130 4.191 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.910 2.520 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.877 3.591 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.189 1.954 -3.458 1.00 0.00 H new ATOM 1183 N PHE A 91 -12.826 1.477 -0.839 1.00 0.00 N ATOM 1184 CA PHE A 91 -12.146 0.338 -0.253 1.00 0.00 C ATOM 1185 C PHE A 91 -12.148 -0.730 -1.330 1.00 0.00 C ATOM 1186 O PHE A 91 -12.800 -1.768 -1.214 1.00 0.00 O ATOM 1187 CB PHE A 91 -12.857 -0.157 1.009 1.00 0.00 C ATOM 1188 CG PHE A 91 -12.006 -1.065 1.851 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -11.191 -0.548 2.846 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -12.013 -2.435 1.640 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -10.400 -1.382 3.616 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -11.227 -3.273 2.408 1.00 0.00 C ATOM 1193 CZ PHE A 91 -10.418 -2.745 3.396 1.00 0.00 C ATOM 0 H PHE A 91 -13.782 1.628 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.135 0.600 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -13.162 0.702 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.767 -0.685 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.173 0.517 3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -12.640 -2.852 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.769 -0.967 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -11.245 -4.339 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.801 -3.398 3.995 1.00 0.00 H new ATOM 1203 N SER A 92 -11.406 -0.431 -2.397 1.00 0.00 N ATOM 1204 CA SER A 92 -11.295 -1.308 -3.543 1.00 0.00 C ATOM 1205 C SER A 92 -9.993 -2.110 -3.485 1.00 0.00 C ATOM 1206 O SER A 92 -8.957 -1.524 -3.106 1.00 0.00 O ATOM 1207 CB SER A 92 -11.397 -0.481 -4.845 1.00 0.00 C ATOM 1208 OG SER A 92 -10.506 -0.967 -5.824 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.022 -3.311 -3.823 1.00 0.00 O ATOM 0 H SER A 92 -10.867 0.431 -2.482 1.00 0.00 H new ATOM 0 HA SER A 92 -12.117 -2.024 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.418 -0.520 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.175 0.565 -4.634 1.00 0.00 H new ATOM 0 HG SER A 92 -11.003 -1.489 -6.488 1.00 0.00 H new TER 1215 SER A 92