USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 9 SER OG : rot 179:sc= -0.114 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 12:sc= 0.151! USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.245) USER MOD Single : A 16 THR OG1 : rot -93:sc= 0.67 USER MOD Single : A 18 THR OG1 : rot -102:sc= 1.13 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0911 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -2.27! (180deg=-3.24!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00264 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 54 SER OG : rot 170:sc= -1.5 USER MOD Single : A 58 THR OG1 : rot -72:sc= -0.878 USER MOD Single : A 59 ASN : amide:sc= -0.745 K(o=-0.74,f=-4.9!) USER MOD Single : A 65 ASN : amide:sc=-0.000347 X(o=-0.00035,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.44 K(o=-2.4,f=-3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.095 K(o=-0.095,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.810 -15.718 3.019 1.00 0.00 N ATOM 93 CA SER A 9 -11.305 -14.623 3.829 1.00 0.00 C ATOM 94 C SER A 9 -10.467 -13.676 2.967 1.00 0.00 C ATOM 95 O SER A 9 -9.471 -14.089 2.375 1.00 0.00 O ATOM 96 CB SER A 9 -10.475 -15.145 5.004 1.00 0.00 C ATOM 97 OG SER A 9 -9.926 -14.085 5.782 1.00 0.00 O ATOM 0 HA SER A 9 -12.157 -14.077 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.100 -15.774 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.668 -15.774 4.627 1.00 0.00 H new ATOM 0 HG SER A 9 -9.418 -14.459 6.532 1.00 0.00 H new ATOM 103 N LYS A 10 -10.902 -12.426 2.923 1.00 0.00 N ATOM 104 CA LYS A 10 -10.205 -11.418 2.143 1.00 0.00 C ATOM 105 C LYS A 10 -9.879 -10.221 3.039 1.00 0.00 C ATOM 106 O LYS A 10 -10.567 -9.976 4.029 1.00 0.00 O ATOM 107 CB LYS A 10 -11.013 -11.051 0.897 1.00 0.00 C ATOM 108 CG LYS A 10 -10.827 -12.096 -0.204 1.00 0.00 C ATOM 109 CD LYS A 10 -11.404 -11.602 -1.533 1.00 0.00 C ATOM 110 CE LYS A 10 -10.876 -12.434 -2.703 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.312 -11.851 -3.992 1.00 0.00 N ATOM 0 H LYS A 10 -11.729 -12.088 3.415 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.256 -11.810 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.069 -10.973 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.700 -10.073 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.767 -12.318 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.317 -13.026 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.492 -11.658 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.142 -10.554 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.787 -12.475 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.237 -13.459 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.945 -12.428 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.351 -11.834 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.947 -10.881 -4.076 1.00 0.00 H new ATOM 125 N VAL A 11 -8.829 -9.507 2.660 1.00 0.00 N ATOM 126 CA VAL A 11 -8.404 -8.342 3.416 1.00 0.00 C ATOM 127 C VAL A 11 -8.484 -7.102 2.523 1.00 0.00 C ATOM 128 O VAL A 11 -7.909 -7.077 1.436 1.00 0.00 O ATOM 129 CB VAL A 11 -7.006 -8.574 3.993 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.049 -9.573 5.151 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.034 -9.037 2.905 1.00 0.00 C ATOM 0 H VAL A 11 -8.260 -9.713 1.839 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.068 -8.175 4.264 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.643 -7.624 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.042 -9.720 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.693 -9.187 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.442 -10.525 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.048 -9.195 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.392 -9.970 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.969 -8.276 2.127 1.00 0.00 H new ATOM 141 N SER A 12 -9.202 -6.103 3.016 1.00 0.00 N ATOM 142 CA SER A 12 -9.365 -4.863 2.276 1.00 0.00 C ATOM 143 C SER A 12 -8.385 -3.810 2.798 1.00 0.00 C ATOM 144 O SER A 12 -8.345 -3.533 3.996 1.00 0.00 O ATOM 145 CB SER A 12 -10.802 -4.347 2.375 1.00 0.00 C ATOM 146 OG SER A 12 -11.063 -3.734 3.635 1.00 0.00 O ATOM 0 H SER A 12 -9.677 -6.127 3.918 1.00 0.00 H new ATOM 0 HA SER A 12 -9.151 -5.061 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.985 -3.627 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.496 -5.174 2.223 1.00 0.00 H new ATOM 0 HG SER A 12 -10.219 -3.601 4.115 1.00 0.00 H new ATOM 152 N PHE A 13 -7.619 -3.250 1.873 1.00 0.00 N ATOM 153 CA PHE A 13 -6.643 -2.233 2.224 1.00 0.00 C ATOM 154 C PHE A 13 -7.165 -0.834 1.894 1.00 0.00 C ATOM 155 O PHE A 13 -8.165 -0.690 1.192 1.00 0.00 O ATOM 156 CB PHE A 13 -5.390 -2.508 1.390 1.00 0.00 C ATOM 157 CG PHE A 13 -5.021 -3.990 1.291 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.608 -4.775 0.348 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.106 -4.521 2.145 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.265 -6.150 0.256 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.763 -5.896 2.053 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.350 -6.682 1.111 1.00 0.00 C ATOM 0 H PHE A 13 -7.655 -3.482 0.880 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.436 -2.270 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.541 -2.114 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.551 -1.963 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.335 -4.353 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.640 -3.897 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.731 -6.774 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.036 -6.318 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.090 -7.728 1.042 1.00 0.00 H new ATOM 172 N LYS A 14 -6.464 0.163 2.415 1.00 0.00 N ATOM 173 CA LYS A 14 -6.845 1.546 2.183 1.00 0.00 C ATOM 174 C LYS A 14 -5.584 2.390 1.985 1.00 0.00 C ATOM 175 O LYS A 14 -4.928 2.770 2.954 1.00 0.00 O ATOM 176 CB LYS A 14 -7.750 2.048 3.310 1.00 0.00 C ATOM 177 CG LYS A 14 -8.639 3.196 2.828 1.00 0.00 C ATOM 178 CD LYS A 14 -9.511 3.730 3.966 1.00 0.00 C ATOM 179 CE LYS A 14 -10.933 3.171 3.876 1.00 0.00 C ATOM 180 NZ LYS A 14 -10.991 1.808 4.452 1.00 0.00 N ATOM 0 H LYS A 14 -5.635 0.040 2.997 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.434 1.632 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.372 1.230 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.140 2.383 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.018 4.000 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.273 2.851 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.070 3.459 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.541 4.819 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.622 3.827 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.255 3.146 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.984 1.536 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.543 1.135 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.487 1.794 5.362 1.00 0.00 H new ATOM 194 N ILE A 15 -5.284 2.660 0.723 1.00 0.00 N ATOM 195 CA ILE A 15 -4.114 3.453 0.385 1.00 0.00 C ATOM 196 C ILE A 15 -4.557 4.719 -0.351 1.00 0.00 C ATOM 197 O ILE A 15 -5.604 4.732 -0.996 1.00 0.00 O ATOM 198 CB ILE A 15 -3.102 2.610 -0.394 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.873 1.260 0.288 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.795 3.377 -0.601 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.996 0.111 -0.715 1.00 0.00 C ATOM 0 H ILE A 15 -5.831 2.344 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.597 3.774 1.289 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.515 2.405 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.884 1.243 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.598 1.126 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.093 2.756 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.994 4.290 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.365 3.632 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.829 -0.837 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.994 0.116 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.253 0.235 -1.503 1.00 0.00 H new ATOM 213 N THR A 16 -3.736 5.752 -0.231 1.00 0.00 N ATOM 214 CA THR A 16 -4.030 7.020 -0.878 1.00 0.00 C ATOM 215 C THR A 16 -2.758 7.617 -1.484 1.00 0.00 C ATOM 216 O THR A 16 -1.685 7.535 -0.889 1.00 0.00 O ATOM 217 CB THR A 16 -4.698 7.933 0.153 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.082 7.610 0.056 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.631 9.409 -0.242 1.00 0.00 C ATOM 0 H THR A 16 -2.868 5.737 0.304 1.00 0.00 H new ATOM 0 HA THR A 16 -4.719 6.888 -1.712 1.00 0.00 H new ATOM 0 HB THR A 16 -4.221 7.795 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.515 8.215 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.119 10.013 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.589 9.714 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.138 9.554 -1.196 1.00 0.00 H new ATOM 227 N LEU A 17 -2.921 8.204 -2.660 1.00 0.00 N ATOM 228 CA LEU A 17 -1.799 8.814 -3.354 1.00 0.00 C ATOM 229 C LEU A 17 -1.297 10.013 -2.547 1.00 0.00 C ATOM 230 O LEU A 17 -2.094 10.783 -2.011 1.00 0.00 O ATOM 231 CB LEU A 17 -2.183 9.160 -4.794 1.00 0.00 C ATOM 232 CG LEU A 17 -1.168 8.771 -5.871 1.00 0.00 C ATOM 233 CD1 LEU A 17 -1.051 7.251 -5.991 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.510 9.428 -7.210 1.00 0.00 C ATOM 0 H LEU A 17 -3.813 8.270 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.970 8.110 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.131 8.673 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.354 10.235 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.190 9.146 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.323 7.002 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.725 6.835 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.021 6.831 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.773 9.135 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.501 9.106 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.500 10.512 -7.096 1.00 0.00 H new ATOM 246 N THR A 18 0.021 10.134 -2.484 1.00 0.00 N ATOM 247 CA THR A 18 0.638 11.226 -1.751 1.00 0.00 C ATOM 248 C THR A 18 1.152 12.295 -2.719 1.00 0.00 C ATOM 249 O THR A 18 1.109 13.486 -2.414 1.00 0.00 O ATOM 250 CB THR A 18 1.732 10.638 -0.859 1.00 0.00 C ATOM 251 OG1 THR A 18 2.594 9.959 -1.768 1.00 0.00 O ATOM 252 CG2 THR A 18 1.209 9.529 0.056 1.00 0.00 C ATOM 0 H THR A 18 0.679 9.494 -2.929 1.00 0.00 H new ATOM 0 HA THR A 18 -0.086 11.732 -1.112 1.00 0.00 H new ATOM 0 HB THR A 18 2.171 11.431 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.413 8.997 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.026 9.146 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.428 9.929 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.800 8.720 -0.550 1.00 0.00 H new ATOM 260 N SER A 19 1.626 11.830 -3.865 1.00 0.00 N ATOM 261 CA SER A 19 2.148 12.731 -4.879 1.00 0.00 C ATOM 262 C SER A 19 1.077 13.750 -5.275 1.00 0.00 C ATOM 263 O SER A 19 1.008 14.836 -4.702 1.00 0.00 O ATOM 264 CB SER A 19 2.625 11.957 -6.110 1.00 0.00 C ATOM 265 OG SER A 19 2.811 12.809 -7.237 1.00 0.00 O ATOM 0 H SER A 19 1.660 10.841 -4.114 1.00 0.00 H new ATOM 0 HA SER A 19 3.005 13.258 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.562 11.451 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.898 11.184 -6.356 1.00 0.00 H new ATOM 0 HG SER A 19 3.117 12.278 -8.002 1.00 0.00 H new ATOM 271 N ASP A 20 0.269 13.363 -6.251 1.00 0.00 N ATOM 272 CA ASP A 20 -0.795 14.229 -6.729 1.00 0.00 C ATOM 273 C ASP A 20 -1.563 14.794 -5.533 1.00 0.00 C ATOM 274 O ASP A 20 -1.548 14.212 -4.449 1.00 0.00 O ATOM 275 CB ASP A 20 -1.784 13.456 -7.604 1.00 0.00 C ATOM 276 CG ASP A 20 -1.178 12.815 -8.854 1.00 0.00 C ATOM 277 OD1 ASP A 20 -0.477 11.794 -8.685 1.00 0.00 O ATOM 278 OD2 ASP A 20 -1.429 13.360 -9.950 1.00 0.00 O ATOM 0 H ASP A 20 0.330 12.461 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.341 15.027 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.246 12.674 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.581 14.134 -7.911 1.00 0.00 H new ATOM 283 N PRO A 21 -2.235 15.952 -5.776 1.00 0.00 N ATOM 284 CA PRO A 21 -3.008 16.602 -4.732 1.00 0.00 C ATOM 285 C PRO A 21 -4.318 15.856 -4.474 1.00 0.00 C ATOM 286 O PRO A 21 -4.486 14.719 -4.913 1.00 0.00 O ATOM 287 CB PRO A 21 -3.221 18.023 -5.227 1.00 0.00 C ATOM 288 CG PRO A 21 -2.965 17.985 -6.725 1.00 0.00 C ATOM 289 CD PRO A 21 -2.276 16.669 -7.047 1.00 0.00 C ATOM 0 HA PRO A 21 -2.497 16.602 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.234 18.364 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.540 18.715 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.902 18.070 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.341 18.826 -7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.827 16.107 -7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.273 16.833 -7.442 1.00 0.00 H new ATOM 297 N ARG A 22 -5.214 16.525 -3.763 1.00 0.00 N ATOM 298 CA ARG A 22 -6.504 15.940 -3.441 1.00 0.00 C ATOM 299 C ARG A 22 -6.333 14.797 -2.438 1.00 0.00 C ATOM 300 O ARG A 22 -6.903 14.833 -1.348 1.00 0.00 O ATOM 301 CB ARG A 22 -7.195 15.406 -4.698 1.00 0.00 C ATOM 302 CG ARG A 22 -7.243 16.474 -5.792 1.00 0.00 C ATOM 303 CD ARG A 22 -8.646 16.580 -6.394 1.00 0.00 C ATOM 304 NE ARG A 22 -9.516 17.388 -5.510 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.842 17.502 -5.662 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.459 16.860 -6.663 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.552 18.257 -4.812 1.00 0.00 N ATOM 0 H ARG A 22 -5.071 17.468 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.123 16.723 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.663 14.528 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.208 15.086 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.948 17.438 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.525 16.230 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.593 17.037 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.071 15.585 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.078 17.889 -4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.919 16.284 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.469 16.947 -6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.083 18.745 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.562 18.344 -4.928 1.00 0.00 H new ATOM 321 N LEU A 23 -5.546 13.811 -2.841 1.00 0.00 N ATOM 322 CA LEU A 23 -5.293 12.660 -1.991 1.00 0.00 C ATOM 323 C LEU A 23 -6.489 11.708 -2.060 1.00 0.00 C ATOM 324 O LEU A 23 -7.253 11.596 -1.102 1.00 0.00 O ATOM 325 CB LEU A 23 -4.945 13.109 -0.571 1.00 0.00 C ATOM 326 CG LEU A 23 -3.597 12.632 -0.027 1.00 0.00 C ATOM 327 CD1 LEU A 23 -2.470 13.575 -0.452 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.651 12.450 1.491 1.00 0.00 C ATOM 0 H LEU A 23 -5.075 13.785 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.424 12.107 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.961 14.198 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.729 12.761 0.101 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.380 11.655 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.523 13.213 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.415 13.609 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.668 14.575 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.680 12.110 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.901 13.400 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.410 11.709 1.742 1.00 0.00 H new ATOM 340 N PRO A 24 -6.617 11.029 -3.231 1.00 0.00 N ATOM 341 CA PRO A 24 -7.707 10.090 -3.437 1.00 0.00 C ATOM 342 C PRO A 24 -7.462 8.789 -2.670 1.00 0.00 C ATOM 343 O PRO A 24 -6.350 8.535 -2.210 1.00 0.00 O ATOM 344 CB PRO A 24 -7.773 9.889 -4.942 1.00 0.00 C ATOM 345 CG PRO A 24 -6.432 10.354 -5.484 1.00 0.00 C ATOM 346 CD PRO A 24 -5.731 11.137 -4.386 1.00 0.00 C ATOM 0 HA PRO A 24 -8.659 10.460 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.952 8.843 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.591 10.464 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.827 9.500 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.573 10.977 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.747 10.722 -4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.582 12.177 -4.675 1.00 0.00 H new ATOM 354 N TYR A 25 -8.520 8.000 -2.555 1.00 0.00 N ATOM 355 CA TYR A 25 -8.434 6.731 -1.851 1.00 0.00 C ATOM 356 C TYR A 25 -9.055 5.603 -2.677 1.00 0.00 C ATOM 357 O TYR A 25 -9.897 5.851 -3.539 1.00 0.00 O ATOM 358 CB TYR A 25 -9.241 6.908 -0.563 1.00 0.00 C ATOM 359 CG TYR A 25 -10.729 6.586 -0.712 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.174 5.291 -0.543 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.625 7.590 -1.016 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.575 4.987 -0.683 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.026 7.286 -1.156 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.432 6.000 -0.982 1.00 0.00 C ATOM 365 OH TYR A 25 -14.755 5.713 -1.115 1.00 0.00 O ATOM 0 H TYR A 25 -9.441 8.214 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.394 6.468 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.817 6.268 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.135 7.937 -0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.472 4.505 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.276 8.603 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.937 3.978 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.738 8.062 -1.394 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.248 6.533 -1.328 1.00 0.00 H new ATOM 375 N LYS A 26 -8.615 4.388 -2.385 1.00 0.00 N ATOM 376 CA LYS A 26 -9.117 3.221 -3.090 1.00 0.00 C ATOM 377 C LYS A 26 -8.955 1.985 -2.203 1.00 0.00 C ATOM 378 O LYS A 26 -7.879 1.747 -1.655 1.00 0.00 O ATOM 379 CB LYS A 26 -8.442 3.089 -4.457 1.00 0.00 C ATOM 380 CG LYS A 26 -6.983 2.652 -4.309 1.00 0.00 C ATOM 381 CD LYS A 26 -6.883 1.140 -4.093 1.00 0.00 C ATOM 382 CE LYS A 26 -6.030 0.487 -5.183 1.00 0.00 C ATOM 383 NZ LYS A 26 -6.849 -0.441 -5.995 1.00 0.00 N ATOM 0 H LYS A 26 -7.916 4.186 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.182 3.329 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.983 2.363 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.488 4.043 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.423 2.933 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.527 3.174 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.448 0.937 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.881 0.702 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.597 1.255 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.200 -0.054 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.224 -1.069 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.452 -1.011 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.447 0.104 -6.648 1.00 0.00 H new ATOM 397 N VAL A 27 -10.039 1.232 -2.088 1.00 0.00 N ATOM 398 CA VAL A 27 -10.030 0.027 -1.276 1.00 0.00 C ATOM 399 C VAL A 27 -9.818 -1.190 -2.179 1.00 0.00 C ATOM 400 O VAL A 27 -10.599 -1.427 -3.100 1.00 0.00 O ATOM 401 CB VAL A 27 -11.315 -0.057 -0.450 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.205 -1.137 0.628 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.661 1.300 0.166 1.00 0.00 C ATOM 0 H VAL A 27 -10.929 1.433 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.204 0.051 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.127 -0.336 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.132 -1.175 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.029 -2.104 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.376 -0.902 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.579 1.212 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.848 1.622 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.803 2.034 -0.627 1.00 0.00 H new ATOM 413 N LEU A 28 -8.759 -1.929 -1.884 1.00 0.00 N ATOM 414 CA LEU A 28 -8.435 -3.115 -2.658 1.00 0.00 C ATOM 415 C LEU A 28 -9.063 -4.341 -1.991 1.00 0.00 C ATOM 416 O LEU A 28 -9.443 -4.290 -0.822 1.00 0.00 O ATOM 417 CB LEU A 28 -6.923 -3.230 -2.855 1.00 0.00 C ATOM 418 CG LEU A 28 -6.439 -3.298 -4.305 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.912 -3.224 -4.378 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.986 -4.542 -5.008 1.00 0.00 C ATOM 0 H LEU A 28 -8.114 -1.729 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.859 -3.044 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.448 -2.375 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.576 -4.122 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.829 -2.430 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.595 -3.274 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.572 -2.286 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.480 -4.059 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.627 -4.566 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.646 -5.435 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.076 -4.512 -5.005 1.00 0.00 H new ATOM 432 N SER A 29 -9.152 -5.414 -2.762 1.00 0.00 N ATOM 433 CA SER A 29 -9.727 -6.651 -2.261 1.00 0.00 C ATOM 434 C SER A 29 -8.944 -7.849 -2.803 1.00 0.00 C ATOM 435 O SER A 29 -9.018 -8.157 -3.992 1.00 0.00 O ATOM 436 CB SER A 29 -11.204 -6.766 -2.641 1.00 0.00 C ATOM 437 OG SER A 29 -12.021 -7.090 -1.519 1.00 0.00 O ATOM 0 H SER A 29 -8.835 -5.453 -3.731 1.00 0.00 H new ATOM 0 HA SER A 29 -9.660 -6.643 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.541 -5.825 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.322 -7.531 -3.408 1.00 0.00 H new ATOM 0 HG SER A 29 -12.957 -7.153 -1.803 1.00 0.00 H new ATOM 443 N VAL A 30 -8.213 -8.493 -1.905 1.00 0.00 N ATOM 444 CA VAL A 30 -7.418 -9.651 -2.278 1.00 0.00 C ATOM 445 C VAL A 30 -7.453 -10.675 -1.143 1.00 0.00 C ATOM 446 O VAL A 30 -7.795 -10.340 -0.010 1.00 0.00 O ATOM 447 CB VAL A 30 -5.999 -9.214 -2.646 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.010 -7.870 -3.376 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.104 -9.157 -1.406 1.00 0.00 C ATOM 0 H VAL A 30 -8.154 -8.235 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.835 -10.132 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.585 -9.960 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.988 -7.583 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.596 -7.958 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.453 -7.110 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.101 -8.844 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.516 -8.443 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.057 -10.144 -0.945 1.00 0.00 H new ATOM 459 N PRO A 31 -7.086 -11.937 -1.495 1.00 0.00 N ATOM 460 CA PRO A 31 -7.072 -13.013 -0.519 1.00 0.00 C ATOM 461 C PRO A 31 -5.869 -12.887 0.418 1.00 0.00 C ATOM 462 O PRO A 31 -4.725 -12.868 -0.033 1.00 0.00 O ATOM 463 CB PRO A 31 -7.053 -14.290 -1.342 1.00 0.00 C ATOM 464 CG PRO A 31 -6.589 -13.885 -2.731 1.00 0.00 C ATOM 465 CD PRO A 31 -6.676 -12.370 -2.828 1.00 0.00 C ATOM 0 HA PRO A 31 -7.939 -12.994 0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.379 -15.026 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.042 -14.746 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.567 -14.221 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.212 -14.353 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.717 -11.935 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.398 -12.062 -3.584 1.00 0.00 H new ATOM 473 N GLU A 32 -6.169 -12.804 1.706 1.00 0.00 N ATOM 474 CA GLU A 32 -5.127 -12.681 2.711 1.00 0.00 C ATOM 475 C GLU A 32 -3.906 -13.515 2.315 1.00 0.00 C ATOM 476 O GLU A 32 -2.776 -13.034 2.377 1.00 0.00 O ATOM 477 CB GLU A 32 -5.645 -13.089 4.091 1.00 0.00 C ATOM 478 CG GLU A 32 -6.423 -14.404 4.018 1.00 0.00 C ATOM 479 CD GLU A 32 -7.027 -14.761 5.378 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.215 -13.820 6.179 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.286 -15.966 5.586 1.00 0.00 O ATOM 0 H GLU A 32 -7.119 -12.820 2.077 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.826 -11.635 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.808 -13.196 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.288 -12.304 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.216 -14.321 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.761 -15.205 3.689 1.00 0.00 H new ATOM 488 N SER A 33 -4.177 -14.749 1.916 1.00 0.00 N ATOM 489 CA SER A 33 -3.115 -15.654 1.510 1.00 0.00 C ATOM 490 C SER A 33 -2.110 -14.916 0.623 1.00 0.00 C ATOM 491 O SER A 33 -0.903 -14.997 0.846 1.00 0.00 O ATOM 492 CB SER A 33 -3.680 -16.871 0.774 1.00 0.00 C ATOM 493 OG SER A 33 -2.734 -17.934 0.697 1.00 0.00 O ATOM 0 H SER A 33 -5.116 -15.143 1.865 1.00 0.00 H new ATOM 0 HA SER A 33 -2.607 -16.009 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.577 -17.220 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.980 -16.579 -0.232 1.00 0.00 H new ATOM 0 HG SER A 33 -3.133 -18.693 0.222 1.00 0.00 H new ATOM 499 N THR A 34 -2.645 -14.214 -0.365 1.00 0.00 N ATOM 500 CA THR A 34 -1.810 -13.462 -1.287 1.00 0.00 C ATOM 501 C THR A 34 -0.930 -12.472 -0.523 1.00 0.00 C ATOM 502 O THR A 34 -1.342 -11.932 0.503 1.00 0.00 O ATOM 503 CB THR A 34 -2.724 -12.794 -2.316 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.058 -13.845 -3.219 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.982 -11.777 -3.186 1.00 0.00 C ATOM 0 H THR A 34 -3.647 -14.150 -0.547 1.00 0.00 H new ATOM 0 HA THR A 34 -1.121 -14.117 -1.820 1.00 0.00 H new ATOM 0 HB THR A 34 -3.548 -12.299 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.651 -13.499 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.677 -11.333 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.562 -10.995 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.179 -12.278 -3.726 1.00 0.00 H new ATOM 513 N PRO A 35 0.299 -12.257 -1.066 1.00 0.00 N ATOM 514 CA PRO A 35 1.241 -11.340 -0.447 1.00 0.00 C ATOM 515 C PRO A 35 0.837 -9.886 -0.697 1.00 0.00 C ATOM 516 O PRO A 35 0.095 -9.597 -1.635 1.00 0.00 O ATOM 517 CB PRO A 35 2.590 -11.695 -1.051 1.00 0.00 C ATOM 518 CG PRO A 35 2.286 -12.475 -2.320 1.00 0.00 C ATOM 519 CD PRO A 35 0.821 -12.878 -2.280 1.00 0.00 C ATOM 0 HA PRO A 35 1.268 -11.435 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.167 -10.797 -1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.183 -12.292 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.490 -11.866 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.923 -13.357 -2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.289 -12.527 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.709 -13.962 -2.250 1.00 0.00 H new ATOM 527 N PHE A 36 1.343 -9.009 0.157 1.00 0.00 N ATOM 528 CA PHE A 36 1.045 -7.592 0.040 1.00 0.00 C ATOM 529 C PHE A 36 1.899 -6.940 -1.049 1.00 0.00 C ATOM 530 O PHE A 36 1.674 -5.786 -1.412 1.00 0.00 O ATOM 531 CB PHE A 36 1.382 -6.951 1.388 1.00 0.00 C ATOM 532 CG PHE A 36 0.501 -5.752 1.744 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.674 -4.566 1.100 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.455 -5.871 2.704 1.00 0.00 C ATOM 535 CE1 PHE A 36 -0.144 -3.453 1.430 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.272 -4.757 3.035 1.00 0.00 C ATOM 537 CZ PHE A 36 -1.099 -3.572 2.391 1.00 0.00 C ATOM 0 H PHE A 36 1.958 -9.253 0.933 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.003 -7.453 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.287 -7.704 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.424 -6.632 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.433 -4.471 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.593 -6.813 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.008 -2.512 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.030 -4.851 3.798 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.720 -2.725 2.643 1.00 0.00 H new ATOM 547 N THR A 37 2.861 -7.707 -1.540 1.00 0.00 N ATOM 548 CA THR A 37 3.750 -7.218 -2.580 1.00 0.00 C ATOM 549 C THR A 37 2.993 -7.067 -3.901 1.00 0.00 C ATOM 550 O THR A 37 3.256 -6.142 -4.669 1.00 0.00 O ATOM 551 CB THR A 37 4.943 -8.172 -2.670 1.00 0.00 C ATOM 552 OG1 THR A 37 5.935 -7.424 -3.368 1.00 0.00 O ATOM 553 CG2 THR A 37 4.668 -9.369 -3.583 1.00 0.00 C ATOM 0 H THR A 37 3.044 -8.664 -1.237 1.00 0.00 H new ATOM 0 HA THR A 37 4.128 -6.224 -2.342 1.00 0.00 H new ATOM 0 HB THR A 37 5.199 -8.528 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.744 -7.968 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.546 -10.014 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.817 -9.931 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.445 -9.015 -4.590 1.00 0.00 H new ATOM 561 N ALA A 38 2.068 -7.988 -4.125 1.00 0.00 N ATOM 562 CA ALA A 38 1.270 -7.968 -5.339 1.00 0.00 C ATOM 563 C ALA A 38 0.205 -6.876 -5.227 1.00 0.00 C ATOM 564 O ALA A 38 -0.321 -6.411 -6.237 1.00 0.00 O ATOM 565 CB ALA A 38 0.663 -9.353 -5.574 1.00 0.00 C ATOM 0 H ALA A 38 1.853 -8.753 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 38 1.892 -7.734 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.064 -9.338 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.462 -10.088 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.030 -9.621 -4.728 1.00 0.00 H new ATOM 571 N VAL A 39 -0.081 -6.498 -3.990 1.00 0.00 N ATOM 572 CA VAL A 39 -1.075 -5.469 -3.733 1.00 0.00 C ATOM 573 C VAL A 39 -0.552 -4.123 -4.240 1.00 0.00 C ATOM 574 O VAL A 39 -1.287 -3.365 -4.870 1.00 0.00 O ATOM 575 CB VAL A 39 -1.434 -5.449 -2.246 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.380 -4.289 -1.926 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.039 -6.785 -1.810 1.00 0.00 C ATOM 0 H VAL A 39 0.358 -6.885 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.997 -5.684 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.514 -5.297 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.620 -4.298 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.898 -3.345 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.297 -4.397 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.285 -6.744 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.944 -6.980 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.319 -7.585 -1.985 1.00 0.00 H new ATOM 587 N LEU A 40 0.715 -3.868 -3.946 1.00 0.00 N ATOM 588 CA LEU A 40 1.345 -2.627 -4.364 1.00 0.00 C ATOM 589 C LEU A 40 1.076 -2.401 -5.854 1.00 0.00 C ATOM 590 O LEU A 40 0.401 -1.443 -6.228 1.00 0.00 O ATOM 591 CB LEU A 40 2.831 -2.632 -4.001 1.00 0.00 C ATOM 592 CG LEU A 40 3.653 -1.453 -4.525 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.503 -0.839 -3.411 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.500 -1.868 -5.730 1.00 0.00 C ATOM 0 H LEU A 40 1.322 -4.500 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 40 0.913 -1.781 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.919 -2.657 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.274 -3.554 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 40 2.964 -0.681 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.077 -0.003 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.853 -0.484 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.185 -1.592 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.075 -1.012 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.182 -2.667 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.848 -2.222 -6.529 1.00 0.00 H new ATOM 606 N LYS A 41 1.620 -3.298 -6.663 1.00 0.00 N ATOM 607 CA LYS A 41 1.447 -3.208 -8.103 1.00 0.00 C ATOM 608 C LYS A 41 -0.020 -2.912 -8.419 1.00 0.00 C ATOM 609 O LYS A 41 -0.331 -1.902 -9.048 1.00 0.00 O ATOM 610 CB LYS A 41 1.982 -4.469 -8.786 1.00 0.00 C ATOM 611 CG LYS A 41 3.511 -4.505 -8.751 1.00 0.00 C ATOM 612 CD LYS A 41 4.024 -5.946 -8.724 1.00 0.00 C ATOM 613 CE LYS A 41 4.740 -6.298 -10.030 1.00 0.00 C ATOM 614 NZ LYS A 41 3.758 -6.512 -11.117 1.00 0.00 N ATOM 0 H LYS A 41 2.181 -4.090 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 41 2.032 -2.382 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.582 -5.353 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.638 -4.501 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.911 -3.989 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.871 -3.970 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.706 -6.077 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.190 -6.630 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.425 -5.496 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.340 -7.197 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.260 -6.750 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.120 -7.292 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.203 -5.644 -11.259 1.00 0.00 H new ATOM 628 N PHE A 42 -0.882 -3.812 -7.969 1.00 0.00 N ATOM 629 CA PHE A 42 -2.309 -3.659 -8.196 1.00 0.00 C ATOM 630 C PHE A 42 -2.776 -2.250 -7.828 1.00 0.00 C ATOM 631 O PHE A 42 -3.500 -1.612 -8.592 1.00 0.00 O ATOM 632 CB PHE A 42 -3.017 -4.670 -7.292 1.00 0.00 C ATOM 633 CG PHE A 42 -4.428 -5.038 -7.754 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.359 -4.064 -7.937 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.752 -6.339 -7.981 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.669 -4.405 -8.366 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.062 -6.680 -8.410 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.993 -5.706 -8.593 1.00 0.00 C ATOM 0 H PHE A 42 -0.620 -4.649 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.537 -3.824 -9.249 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.415 -5.577 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.071 -4.263 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.102 -3.031 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.013 -7.113 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.408 -3.631 -8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.319 -7.713 -8.591 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.990 -5.966 -8.919 1.00 0.00 H new ATOM 648 N ALA A 43 -2.342 -1.804 -6.659 1.00 0.00 N ATOM 649 CA ALA A 43 -2.706 -0.481 -6.180 1.00 0.00 C ATOM 650 C ALA A 43 -2.235 0.569 -7.188 1.00 0.00 C ATOM 651 O ALA A 43 -3.049 1.186 -7.873 1.00 0.00 O ATOM 652 CB ALA A 43 -2.112 -0.260 -4.787 1.00 0.00 C ATOM 0 H ALA A 43 -1.741 -2.335 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.789 -0.390 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.385 0.732 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.501 -1.013 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.026 -0.341 -4.837 1.00 0.00 H new ATOM 658 N ALA A 44 -0.922 0.740 -7.247 1.00 0.00 N ATOM 659 CA ALA A 44 -0.333 1.704 -8.160 1.00 0.00 C ATOM 660 C ALA A 44 -1.028 1.605 -9.519 1.00 0.00 C ATOM 661 O ALA A 44 -1.220 2.613 -10.197 1.00 0.00 O ATOM 662 CB ALA A 44 1.175 1.461 -8.257 1.00 0.00 C ATOM 0 H ALA A 44 -0.250 0.227 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.477 2.719 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.617 2.184 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.626 1.573 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.358 0.452 -8.627 1.00 0.00 H new ATOM 668 N GLU A 45 -1.388 0.380 -9.875 1.00 0.00 N ATOM 669 CA GLU A 45 -2.058 0.136 -11.141 1.00 0.00 C ATOM 670 C GLU A 45 -3.369 0.922 -11.208 1.00 0.00 C ATOM 671 O GLU A 45 -3.657 1.572 -12.212 1.00 0.00 O ATOM 672 CB GLU A 45 -2.304 -1.359 -11.352 1.00 0.00 C ATOM 673 CG GLU A 45 -1.264 -1.957 -12.301 1.00 0.00 C ATOM 674 CD GLU A 45 -1.873 -3.080 -13.144 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.666 -3.856 -12.568 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.531 -3.137 -14.345 1.00 0.00 O ATOM 0 H GLU A 45 -1.228 -0.453 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.409 0.481 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.267 -1.876 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.304 -1.513 -11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.872 -1.178 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.422 -2.344 -11.727 1.00 0.00 H new ATOM 683 N GLU A 46 -4.129 0.837 -10.125 1.00 0.00 N ATOM 684 CA GLU A 46 -5.402 1.533 -10.048 1.00 0.00 C ATOM 685 C GLU A 46 -5.187 3.045 -10.130 1.00 0.00 C ATOM 686 O GLU A 46 -5.865 3.732 -10.893 1.00 0.00 O ATOM 687 CB GLU A 46 -6.157 1.155 -8.772 1.00 0.00 C ATOM 688 CG GLU A 46 -7.474 0.450 -9.103 1.00 0.00 C ATOM 689 CD GLU A 46 -8.639 1.076 -8.333 1.00 0.00 C ATOM 690 OE1 GLU A 46 -9.190 2.072 -8.849 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.952 0.544 -7.246 1.00 0.00 O ATOM 0 H GLU A 46 -3.887 0.297 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.013 1.227 -10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.536 0.503 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.358 2.051 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.665 0.513 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.396 -0.609 -8.855 1.00 0.00 H new ATOM 698 N PHE A 47 -4.241 3.520 -9.333 1.00 0.00 N ATOM 699 CA PHE A 47 -3.928 4.939 -9.306 1.00 0.00 C ATOM 700 C PHE A 47 -3.348 5.398 -10.645 1.00 0.00 C ATOM 701 O PHE A 47 -3.300 6.594 -10.928 1.00 0.00 O ATOM 702 CB PHE A 47 -2.879 5.145 -8.212 1.00 0.00 C ATOM 703 CG PHE A 47 -3.457 5.186 -6.796 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.160 6.273 -6.379 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.268 4.134 -5.953 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.696 6.311 -5.065 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.804 4.172 -4.639 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.507 5.259 -4.223 1.00 0.00 C ATOM 0 H PHE A 47 -3.681 2.948 -8.701 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.833 5.516 -9.116 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.145 4.341 -8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.347 6.077 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.311 7.108 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.710 3.270 -6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.254 7.175 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.653 3.338 -3.970 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.916 5.287 -3.224 1.00 0.00 H new ATOM 718 N LYS A 48 -2.921 4.423 -11.434 1.00 0.00 N ATOM 719 CA LYS A 48 -2.345 4.712 -12.737 1.00 0.00 C ATOM 720 C LYS A 48 -0.964 5.344 -12.551 1.00 0.00 C ATOM 721 O LYS A 48 -0.743 6.488 -12.944 1.00 0.00 O ATOM 722 CB LYS A 48 -3.305 5.566 -13.569 1.00 0.00 C ATOM 723 CG LYS A 48 -3.606 4.900 -14.913 1.00 0.00 C ATOM 724 CD LYS A 48 -5.032 5.210 -15.372 1.00 0.00 C ATOM 725 CE LYS A 48 -5.404 4.383 -16.604 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.255 5.173 -17.521 1.00 0.00 N ATOM 0 H LYS A 48 -2.962 3.432 -11.196 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.201 3.791 -13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.233 5.718 -13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.869 6.551 -13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.895 5.248 -15.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.475 3.821 -14.826 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.732 4.999 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.121 6.272 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.499 4.064 -17.122 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.931 3.479 -16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.498 4.597 -18.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.126 5.456 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.739 6.022 -17.828 1.00 0.00 H new ATOM 740 N VAL A 49 -0.071 4.571 -11.950 1.00 0.00 N ATOM 741 CA VAL A 49 1.282 5.040 -11.707 1.00 0.00 C ATOM 742 C VAL A 49 2.253 3.863 -11.817 1.00 0.00 C ATOM 743 O VAL A 49 1.844 2.706 -11.731 1.00 0.00 O ATOM 744 CB VAL A 49 1.354 5.751 -10.354 1.00 0.00 C ATOM 745 CG1 VAL A 49 1.071 7.247 -10.505 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.398 5.110 -9.347 1.00 0.00 C ATOM 0 H VAL A 49 -0.259 3.623 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 49 1.573 5.772 -12.460 1.00 0.00 H new ATOM 0 HB VAL A 49 2.368 5.640 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.128 7.729 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.809 7.691 -11.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.074 7.388 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.469 5.634 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.623 5.176 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.666 4.063 -9.206 1.00 0.00 H new ATOM 756 N PRO A 50 3.555 4.207 -12.009 1.00 0.00 N ATOM 757 CA PRO A 50 4.587 3.192 -12.131 1.00 0.00 C ATOM 758 C PRO A 50 4.915 2.578 -10.769 1.00 0.00 C ATOM 759 O PRO A 50 5.167 3.297 -9.804 1.00 0.00 O ATOM 760 CB PRO A 50 5.771 3.909 -12.760 1.00 0.00 C ATOM 761 CG PRO A 50 5.525 5.393 -12.540 1.00 0.00 C ATOM 762 CD PRO A 50 4.076 5.567 -12.115 1.00 0.00 C ATOM 0 HA PRO A 50 4.277 2.348 -12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.707 3.596 -12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.847 3.679 -13.823 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.197 5.782 -11.775 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.725 5.953 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.003 6.094 -11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.516 6.150 -12.846 1.00 0.00 H new ATOM 770 N ALA A 51 4.902 1.253 -10.735 1.00 0.00 N ATOM 771 CA ALA A 51 5.195 0.533 -9.507 1.00 0.00 C ATOM 772 C ALA A 51 6.712 0.425 -9.334 1.00 0.00 C ATOM 773 O ALA A 51 7.194 0.073 -8.258 1.00 0.00 O ATOM 774 CB ALA A 51 4.513 -0.836 -9.543 1.00 0.00 C ATOM 0 H ALA A 51 4.693 0.660 -11.538 1.00 0.00 H new ATOM 0 HA ALA A 51 4.802 1.070 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.733 -1.376 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.435 -0.703 -9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.885 -1.405 -10.395 1.00 0.00 H new ATOM 780 N ALA A 52 7.421 0.733 -10.410 1.00 0.00 N ATOM 781 CA ALA A 52 8.873 0.675 -10.390 1.00 0.00 C ATOM 782 C ALA A 52 9.407 1.703 -9.391 1.00 0.00 C ATOM 783 O ALA A 52 10.409 1.459 -8.720 1.00 0.00 O ATOM 784 CB ALA A 52 9.412 0.901 -11.804 1.00 0.00 C ATOM 0 H ALA A 52 7.018 1.023 -11.301 1.00 0.00 H new ATOM 0 HA ALA A 52 9.213 -0.308 -10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.501 0.858 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.027 0.127 -12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.093 1.879 -12.163 1.00 0.00 H new ATOM 790 N THR A 53 8.715 2.831 -9.324 1.00 0.00 N ATOM 791 CA THR A 53 9.107 3.897 -8.418 1.00 0.00 C ATOM 792 C THR A 53 8.000 4.164 -7.397 1.00 0.00 C ATOM 793 O THR A 53 7.748 5.312 -7.035 1.00 0.00 O ATOM 794 CB THR A 53 9.467 5.124 -9.259 1.00 0.00 C ATOM 795 OG1 THR A 53 8.505 5.118 -10.310 1.00 0.00 O ATOM 796 CG2 THR A 53 10.808 4.967 -9.980 1.00 0.00 C ATOM 0 H THR A 53 7.885 3.030 -9.883 1.00 0.00 H new ATOM 0 HA THR A 53 9.983 3.617 -7.834 1.00 0.00 H new ATOM 0 HB THR A 53 9.500 6.006 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.663 5.882 -10.903 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.015 5.865 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.600 4.819 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.764 4.105 -10.646 1.00 0.00 H new ATOM 804 N SER A 54 7.368 3.084 -6.962 1.00 0.00 N ATOM 805 CA SER A 54 6.293 3.187 -5.990 1.00 0.00 C ATOM 806 C SER A 54 6.636 2.372 -4.741 1.00 0.00 C ATOM 807 O SER A 54 7.426 1.431 -4.808 1.00 0.00 O ATOM 808 CB SER A 54 4.965 2.714 -6.584 1.00 0.00 C ATOM 809 OG SER A 54 4.793 1.305 -6.453 1.00 0.00 O ATOM 0 H SER A 54 7.580 2.133 -7.265 1.00 0.00 H new ATOM 0 HA SER A 54 6.183 4.235 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.142 3.227 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.921 2.988 -7.638 1.00 0.00 H new ATOM 0 HG SER A 54 3.874 1.064 -6.694 1.00 0.00 H new ATOM 815 N ALA A 55 6.025 2.762 -3.632 1.00 0.00 N ATOM 816 CA ALA A 55 6.256 2.078 -2.371 1.00 0.00 C ATOM 817 C ALA A 55 5.135 2.432 -1.391 1.00 0.00 C ATOM 818 O ALA A 55 4.554 3.513 -1.472 1.00 0.00 O ATOM 819 CB ALA A 55 7.639 2.452 -1.834 1.00 0.00 C ATOM 0 H ALA A 55 5.371 3.543 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 55 6.242 0.997 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.813 1.939 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.402 2.154 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.689 3.529 -1.677 1.00 0.00 H new ATOM 825 N ILE A 56 4.865 1.501 -0.489 1.00 0.00 N ATOM 826 CA ILE A 56 3.824 1.701 0.505 1.00 0.00 C ATOM 827 C ILE A 56 4.454 1.723 1.899 1.00 0.00 C ATOM 828 O ILE A 56 5.357 0.940 2.189 1.00 0.00 O ATOM 829 CB ILE A 56 2.722 0.652 0.345 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.078 0.740 -1.040 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.688 0.768 1.467 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.224 -0.497 -1.328 1.00 0.00 C ATOM 0 H ILE A 56 5.349 0.605 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 56 3.338 2.666 0.359 1.00 0.00 H new ATOM 0 HB ILE A 56 3.176 -0.336 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.459 1.635 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.853 0.836 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.916 0.011 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.177 0.617 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.234 1.759 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.778 -0.409 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.850 -1.388 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.435 -0.576 -0.580 1.00 0.00 H new ATOM 844 N ILE A 57 3.952 2.629 2.726 1.00 0.00 N ATOM 845 CA ILE A 57 4.454 2.764 4.082 1.00 0.00 C ATOM 846 C ILE A 57 3.288 3.067 5.025 1.00 0.00 C ATOM 847 O ILE A 57 2.176 3.340 4.576 1.00 0.00 O ATOM 848 CB ILE A 57 5.576 3.803 4.138 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.011 5.224 4.077 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.612 3.550 3.041 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.065 6.251 4.496 1.00 0.00 C ATOM 0 H ILE A 57 3.203 3.277 2.482 1.00 0.00 H new ATOM 0 HA ILE A 57 4.901 1.828 4.417 1.00 0.00 H new ATOM 0 HB ILE A 57 6.089 3.702 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.669 5.440 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.142 5.302 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.398 4.302 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.046 2.559 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.130 3.608 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.638 7.253 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.387 6.046 5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.922 6.187 3.826 1.00 0.00 H new ATOM 863 N THR A 58 3.582 3.009 6.316 1.00 0.00 N ATOM 864 CA THR A 58 2.572 3.274 7.326 1.00 0.00 C ATOM 865 C THR A 58 2.763 4.673 7.917 1.00 0.00 C ATOM 866 O THR A 58 3.501 5.488 7.366 1.00 0.00 O ATOM 867 CB THR A 58 2.644 2.158 8.371 1.00 0.00 C ATOM 868 OG1 THR A 58 3.939 2.305 8.947 1.00 0.00 O ATOM 869 CG2 THR A 58 2.672 0.765 7.738 1.00 0.00 C ATOM 0 H THR A 58 4.505 2.782 6.685 1.00 0.00 H new ATOM 0 HA THR A 58 1.571 3.271 6.895 1.00 0.00 H new ATOM 0 HB THR A 58 1.789 2.234 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.618 2.017 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.723 0.010 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.768 0.615 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.545 0.677 7.092 1.00 0.00 H new ATOM 877 N ASN A 59 2.084 4.907 9.031 1.00 0.00 N ATOM 878 CA ASN A 59 2.169 6.193 9.702 1.00 0.00 C ATOM 879 C ASN A 59 3.538 6.323 10.373 1.00 0.00 C ATOM 880 O ASN A 59 4.165 5.321 10.714 1.00 0.00 O ATOM 881 CB ASN A 59 1.098 6.320 10.787 1.00 0.00 C ATOM 882 CG ASN A 59 -0.297 6.068 10.211 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.469 5.419 9.193 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.281 6.617 10.918 1.00 0.00 N ATOM 0 H ASN A 59 1.473 4.228 9.485 1.00 0.00 H new ATOM 0 HA ASN A 59 2.021 6.973 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.299 5.608 11.587 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.139 7.316 11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.249 6.506 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.067 7.149 11.762 1.00 0.00 H new ATOM 891 N ASP A 60 3.963 7.567 10.541 1.00 0.00 N ATOM 892 CA ASP A 60 5.246 7.841 11.165 1.00 0.00 C ATOM 893 C ASP A 60 6.349 7.765 10.107 1.00 0.00 C ATOM 894 O ASP A 60 7.184 8.664 10.010 1.00 0.00 O ATOM 895 CB ASP A 60 5.562 6.812 12.252 1.00 0.00 C ATOM 896 CG ASP A 60 6.427 7.331 13.402 1.00 0.00 C ATOM 897 OD1 ASP A 60 7.242 8.240 13.134 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.254 6.807 14.524 1.00 0.00 O ATOM 0 H ASP A 60 3.442 8.396 10.256 1.00 0.00 H new ATOM 0 HA ASP A 60 5.198 8.834 11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.623 6.440 12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.067 5.963 11.792 1.00 0.00 H new ATOM 903 N GLY A 61 6.317 6.685 9.341 1.00 0.00 N ATOM 904 CA GLY A 61 7.303 6.480 8.294 1.00 0.00 C ATOM 905 C GLY A 61 7.939 5.093 8.404 1.00 0.00 C ATOM 906 O GLY A 61 9.160 4.971 8.499 1.00 0.00 O ATOM 0 H GLY A 61 5.623 5.942 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.831 6.591 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.076 7.245 8.363 1.00 0.00 H new ATOM 910 N ILE A 62 7.083 4.081 8.388 1.00 0.00 N ATOM 911 CA ILE A 62 7.546 2.707 8.484 1.00 0.00 C ATOM 912 C ILE A 62 7.124 1.942 7.229 1.00 0.00 C ATOM 913 O ILE A 62 5.937 1.868 6.912 1.00 0.00 O ATOM 914 CB ILE A 62 7.060 2.069 9.787 1.00 0.00 C ATOM 915 CG1 ILE A 62 7.397 2.952 10.990 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.616 0.652 9.943 1.00 0.00 C ATOM 917 CD1 ILE A 62 8.901 2.950 11.268 1.00 0.00 C ATOM 0 H ILE A 62 6.071 4.186 8.310 1.00 0.00 H new ATOM 0 HA ILE A 62 8.635 2.673 8.526 1.00 0.00 H new ATOM 0 HB ILE A 62 5.974 1.987 9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.060 3.971 10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.861 2.595 11.869 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.256 0.221 10.877 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.284 0.037 9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.705 0.688 9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.113 3.585 12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.231 1.933 11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.433 3.331 10.396 1.00 0.00 H new ATOM 929 N GLY A 63 8.118 1.391 6.547 1.00 0.00 N ATOM 930 CA GLY A 63 7.864 0.634 5.334 1.00 0.00 C ATOM 931 C GLY A 63 7.109 -0.660 5.643 1.00 0.00 C ATOM 932 O GLY A 63 6.543 -0.810 6.724 1.00 0.00 O ATOM 0 H GLY A 63 9.101 1.454 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.284 1.240 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.808 0.400 4.843 1.00 0.00 H new ATOM 936 N ILE A 64 7.126 -1.563 4.673 1.00 0.00 N ATOM 937 CA ILE A 64 6.451 -2.840 4.828 1.00 0.00 C ATOM 938 C ILE A 64 7.359 -3.959 4.315 1.00 0.00 C ATOM 939 O ILE A 64 8.103 -3.767 3.354 1.00 0.00 O ATOM 940 CB ILE A 64 5.078 -2.805 4.154 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.363 -1.482 4.435 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.233 -4.012 4.567 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.967 -1.469 3.809 1.00 0.00 C ATOM 0 H ILE A 64 7.597 -1.435 3.777 1.00 0.00 H new ATOM 0 HA ILE A 64 6.259 -3.043 5.882 1.00 0.00 H new ATOM 0 HB ILE A 64 5.225 -2.869 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.284 -1.329 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.951 -0.655 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.262 -3.962 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.742 -4.930 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.092 -4.004 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.481 -0.517 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.051 -1.598 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.373 -2.282 4.227 1.00 0.00 H new ATOM 955 N ASN A 65 7.269 -5.102 4.978 1.00 0.00 N ATOM 956 CA ASN A 65 8.074 -6.252 4.601 1.00 0.00 C ATOM 957 C ASN A 65 7.161 -7.352 4.056 1.00 0.00 C ATOM 958 O ASN A 65 6.486 -8.039 4.821 1.00 0.00 O ATOM 959 CB ASN A 65 8.827 -6.816 5.807 1.00 0.00 C ATOM 960 CG ASN A 65 10.337 -6.629 5.647 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.877 -5.549 5.826 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.987 -7.737 5.302 1.00 0.00 N ATOM 0 H ASN A 65 6.651 -5.257 5.774 1.00 0.00 H new ATOM 0 HA ASN A 65 8.792 -5.929 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.490 -6.318 6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.598 -7.876 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.998 -7.715 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.474 -8.608 5.168 1.00 0.00 H new ATOM 969 N PRO A 66 7.169 -7.488 2.703 1.00 0.00 N ATOM 970 CA PRO A 66 6.350 -8.493 2.047 1.00 0.00 C ATOM 971 C PRO A 66 6.947 -9.890 2.226 1.00 0.00 C ATOM 972 O PRO A 66 7.135 -10.619 1.253 1.00 0.00 O ATOM 973 CB PRO A 66 6.282 -8.058 0.592 1.00 0.00 C ATOM 974 CG PRO A 66 7.439 -7.092 0.392 1.00 0.00 C ATOM 975 CD PRO A 66 7.955 -6.692 1.765 1.00 0.00 C ATOM 0 HA PRO A 66 5.350 -8.564 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.368 -8.915 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.329 -7.577 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.231 -7.561 -0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.111 -6.213 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.020 -6.901 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.822 -5.625 1.943 1.00 0.00 H new ATOM 983 N ALA A 67 7.230 -10.222 3.477 1.00 0.00 N ATOM 984 CA ALA A 67 7.803 -11.519 3.796 1.00 0.00 C ATOM 985 C ALA A 67 6.678 -12.499 4.134 1.00 0.00 C ATOM 986 O ALA A 67 6.859 -13.712 4.042 1.00 0.00 O ATOM 987 CB ALA A 67 8.806 -11.366 4.941 1.00 0.00 C ATOM 0 H ALA A 67 7.073 -9.615 4.282 1.00 0.00 H new ATOM 0 HA ALA A 67 8.344 -11.921 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.236 -12.339 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.600 -10.682 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.298 -10.968 5.819 1.00 0.00 H new ATOM 993 N GLN A 68 5.541 -11.937 4.517 1.00 0.00 N ATOM 994 CA GLN A 68 4.387 -12.746 4.868 1.00 0.00 C ATOM 995 C GLN A 68 3.195 -12.384 3.980 1.00 0.00 C ATOM 996 O GLN A 68 3.251 -11.416 3.224 1.00 0.00 O ATOM 997 CB GLN A 68 4.036 -12.587 6.349 1.00 0.00 C ATOM 998 CG GLN A 68 4.118 -11.121 6.778 1.00 0.00 C ATOM 999 CD GLN A 68 5.552 -10.738 7.150 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.337 -11.547 7.616 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.849 -9.462 6.918 1.00 0.00 N ATOM 0 H GLN A 68 5.395 -10.930 4.592 1.00 0.00 H new ATOM 0 HA GLN A 68 4.637 -13.793 4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.031 -12.967 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.717 -13.185 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.765 -10.481 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.460 -10.950 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.144 -8.837 6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.781 -9.108 7.132 1.00 0.00 H new ATOM 1010 N THR A 69 2.144 -13.182 4.102 1.00 0.00 N ATOM 1011 CA THR A 69 0.940 -12.958 3.320 1.00 0.00 C ATOM 1012 C THR A 69 0.363 -11.571 3.613 1.00 0.00 C ATOM 1013 O THR A 69 0.550 -11.036 4.705 1.00 0.00 O ATOM 1014 CB THR A 69 -0.037 -14.097 3.618 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.305 -13.969 5.012 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.615 -15.476 3.488 1.00 0.00 C ATOM 0 H THR A 69 2.101 -13.984 4.730 1.00 0.00 H new ATOM 0 HA THR A 69 1.156 -12.967 2.252 1.00 0.00 H new ATOM 0 HB THR A 69 -0.888 -14.032 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.932 -14.669 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.121 -16.249 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.986 -15.609 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.445 -15.554 4.190 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.325 -11.029 2.620 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.930 -9.715 2.758 1.00 0.00 C ATOM 1026 C ALA A 70 -1.680 -9.641 4.089 1.00 0.00 C ATOM 1027 O ALA A 70 -1.521 -8.681 4.842 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.841 -9.444 1.559 1.00 0.00 C ATOM 0 H ALA A 70 -0.477 -11.476 1.716 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.165 -8.939 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.295 -8.458 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.254 -9.479 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.624 -10.201 1.518 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.480 -10.667 4.339 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.255 -10.730 5.567 1.00 0.00 C ATOM 1036 C GLY A 71 -2.345 -10.655 6.794 1.00 0.00 C ATOM 1037 O GLY A 71 -2.783 -10.259 7.873 1.00 0.00 O ATOM 0 H GLY A 71 -2.608 -11.461 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.972 -9.910 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.829 -11.656 5.592 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.094 -11.041 6.588 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.118 -11.022 7.664 1.00 0.00 C ATOM 1043 C ASN A 72 0.673 -9.714 7.607 1.00 0.00 C ATOM 1044 O ASN A 72 1.367 -9.362 8.559 1.00 0.00 O ATOM 1045 CB ASN A 72 0.872 -12.180 7.530 1.00 0.00 C ATOM 1046 CG ASN A 72 0.270 -13.482 8.062 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.879 -13.544 8.470 1.00 0.00 O ATOM 1048 ND2 ASN A 72 1.107 -14.515 8.037 1.00 0.00 N ATOM 0 H ASN A 72 -0.734 -11.369 5.692 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.655 -11.115 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.151 -12.305 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.785 -11.947 8.078 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.800 -15.428 8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.056 -14.394 7.683 1.00 0.00 H new ATOM 1055 N VAL A 73 0.542 -9.029 6.480 1.00 0.00 N ATOM 1056 CA VAL A 73 1.236 -7.767 6.286 1.00 0.00 C ATOM 1057 C VAL A 73 0.314 -6.616 6.693 1.00 0.00 C ATOM 1058 O VAL A 73 0.736 -5.695 7.391 1.00 0.00 O ATOM 1059 CB VAL A 73 1.728 -7.658 4.842 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.334 -6.279 4.572 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.729 -8.769 4.518 1.00 0.00 C ATOM 0 H VAL A 73 -0.034 -9.324 5.692 1.00 0.00 H new ATOM 0 HA VAL A 73 2.120 -7.715 6.921 1.00 0.00 H new ATOM 0 HB VAL A 73 0.867 -7.781 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.676 -6.228 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.580 -5.510 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.178 -6.115 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.063 -8.668 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.587 -8.692 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.251 -9.740 4.652 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.927 -6.704 6.238 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.912 -5.681 6.546 1.00 0.00 C ATOM 1073 C PHE A 74 -2.354 -5.767 8.008 1.00 0.00 C ATOM 1074 O PHE A 74 -2.978 -4.843 8.527 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.120 -5.938 5.644 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.285 -6.637 6.348 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.104 -7.863 6.907 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.501 -6.031 6.414 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.185 -8.512 7.561 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.582 -6.680 7.068 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.401 -7.906 7.627 1.00 0.00 C ATOM 0 H PHE A 74 -1.273 -7.468 5.658 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.485 -4.692 6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.470 -4.987 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.804 -6.545 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.138 -8.343 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.644 -5.057 5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.042 -9.486 8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.548 -6.200 7.121 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.223 -8.399 8.124 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.013 -6.886 8.631 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.367 -7.105 10.023 1.00 0.00 C ATOM 1093 C LEU A 75 -1.245 -6.576 10.919 1.00 0.00 C ATOM 1094 O LEU A 75 -1.509 -5.965 11.954 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.704 -8.578 10.264 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.319 -8.910 11.625 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.836 -9.078 11.515 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.650 -10.139 12.244 1.00 0.00 C ATOM 0 H LEU A 75 -1.495 -7.650 8.197 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.269 -6.549 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.394 -8.905 9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.792 -9.163 10.147 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.136 -8.071 12.296 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.248 -9.313 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.279 -8.152 11.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.063 -9.888 10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.106 -10.353 13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.781 -10.996 11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.586 -9.945 12.380 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.018 -6.830 10.490 1.00 0.00 N ATOM 1111 CA LYS A 76 1.144 -6.387 11.240 1.00 0.00 C ATOM 1112 C LYS A 76 1.318 -4.878 11.059 1.00 0.00 C ATOM 1113 O LYS A 76 1.623 -4.165 12.015 1.00 0.00 O ATOM 1114 CB LYS A 76 2.379 -7.200 10.846 1.00 0.00 C ATOM 1115 CG LYS A 76 2.991 -6.672 9.547 1.00 0.00 C ATOM 1116 CD LYS A 76 4.353 -7.316 9.281 1.00 0.00 C ATOM 1117 CE LYS A 76 5.473 -6.535 9.971 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.471 -7.462 10.550 1.00 0.00 N ATOM 0 H LYS A 76 0.197 -7.337 9.632 1.00 0.00 H new ATOM 0 HA LYS A 76 1.000 -6.566 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.119 -7.155 11.645 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.105 -8.248 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.319 -6.878 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.102 -5.589 9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.349 -8.345 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.538 -7.353 8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.957 -5.872 9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.055 -5.905 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.224 -6.915 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.008 -8.078 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.883 -8.045 9.794 1.00 0.00 H new ATOM 1132 N HIS A 77 1.118 -4.435 9.827 1.00 0.00 N ATOM 1133 CA HIS A 77 1.249 -3.024 9.508 1.00 0.00 C ATOM 1134 C HIS A 77 -0.103 -2.330 9.685 1.00 0.00 C ATOM 1135 O HIS A 77 -0.194 -1.301 10.353 1.00 0.00 O ATOM 1136 CB HIS A 77 1.833 -2.835 8.106 1.00 0.00 C ATOM 1137 CG HIS A 77 3.245 -3.349 7.955 1.00 0.00 C ATOM 1138 ND1 HIS A 77 3.714 -4.539 7.481 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 4.356 -2.606 8.314 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 5.040 -4.523 7.546 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 5.439 -3.326 8.062 1.00 0.00 N flip ATOM 0 H HIS A 77 0.866 -5.029 9.037 1.00 0.00 H new ATOM 0 HA HIS A 77 1.952 -2.556 10.197 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.193 -3.344 7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.815 -1.774 7.856 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.342 -1.609 8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.695 -5.326 7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.403 -3.036 8.225 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.120 -2.921 9.075 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.463 -2.372 9.157 1.00 0.00 C ATOM 1151 C GLY A 78 -3.090 -2.249 7.767 1.00 0.00 C ATOM 1152 O GLY A 78 -2.548 -2.761 6.789 1.00 0.00 O ATOM 0 H GLY A 78 -1.041 -3.774 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.084 -3.012 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.431 -1.392 9.634 1.00 0.00 H new ATOM 1156 N SER A 79 -4.225 -1.566 7.724 1.00 0.00 N ATOM 1157 CA SER A 79 -4.932 -1.368 6.470 1.00 0.00 C ATOM 1158 C SER A 79 -4.682 0.047 5.946 1.00 0.00 C ATOM 1159 O SER A 79 -4.612 0.262 4.736 1.00 0.00 O ATOM 1160 CB SER A 79 -6.432 -1.614 6.639 1.00 0.00 C ATOM 1161 OG SER A 79 -7.113 -0.456 7.114 1.00 0.00 O ATOM 0 H SER A 79 -4.672 -1.143 8.537 1.00 0.00 H new ATOM 0 HA SER A 79 -4.552 -2.089 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.859 -1.919 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.588 -2.438 7.336 1.00 0.00 H new ATOM 0 HG SER A 79 -8.068 -0.653 7.207 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.555 0.977 6.881 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.314 2.365 6.529 1.00 0.00 C ATOM 1169 C GLU A 80 -2.822 2.601 6.287 1.00 0.00 C ATOM 1170 O GLU A 80 -2.039 2.666 7.233 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.850 3.306 7.610 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.372 3.431 7.523 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.944 4.057 8.797 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.667 3.497 9.879 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.646 5.082 8.659 1.00 0.00 O ATOM 0 H GLU A 80 -4.615 0.796 7.883 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.850 2.583 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.568 2.933 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.394 4.290 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.642 4.041 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.813 2.446 7.367 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.473 2.723 5.015 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.089 2.950 4.637 1.00 0.00 C ATOM 1184 C LEU A 81 -1.032 4.019 3.544 1.00 0.00 C ATOM 1185 O LEU A 81 -2.052 4.353 2.944 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.418 1.632 4.244 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.841 0.399 5.044 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.742 -0.868 4.192 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.036 0.283 6.340 1.00 0.00 C ATOM 0 H LEU A 81 -3.125 2.669 4.233 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.520 3.330 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.622 1.444 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.661 1.753 4.344 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.888 0.517 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.048 -1.730 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.394 -0.774 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.287 -1.004 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.357 -0.602 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.025 0.199 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.202 1.170 6.952 1.00 0.00 H new ATOM 1201 N ARG A 82 0.172 4.525 3.318 1.00 0.00 N ATOM 1202 CA ARG A 82 0.375 5.549 2.307 1.00 0.00 C ATOM 1203 C ARG A 82 1.383 5.069 1.261 1.00 0.00 C ATOM 1204 O ARG A 82 2.381 4.435 1.599 1.00 0.00 O ATOM 1205 CB ARG A 82 0.883 6.849 2.935 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.209 7.514 3.775 1.00 0.00 C ATOM 1207 CD ARG A 82 0.346 7.986 5.121 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.707 7.904 6.159 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.699 8.794 6.293 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.781 9.838 5.457 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.610 8.641 7.264 1.00 0.00 N ATOM 0 H ARG A 82 1.016 4.245 3.817 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.586 5.740 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.751 6.640 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.211 7.532 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.625 8.362 3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.025 6.810 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.199 7.372 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.706 9.011 5.036 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.675 7.121 6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.088 9.955 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.537 10.515 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.548 7.847 7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.365 9.319 7.366 1.00 0.00 H new ATOM 1225 N ILE A 83 1.086 5.390 0.010 1.00 0.00 N ATOM 1226 CA ILE A 83 1.953 5.000 -1.089 1.00 0.00 C ATOM 1227 C ILE A 83 2.877 6.167 -1.444 1.00 0.00 C ATOM 1228 O ILE A 83 2.420 7.194 -1.943 1.00 0.00 O ATOM 1229 CB ILE A 83 1.125 4.489 -2.270 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.890 3.422 -3.056 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.675 5.646 -3.164 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.928 2.469 -3.766 1.00 0.00 C ATOM 0 H ILE A 83 0.257 5.916 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 83 2.591 4.167 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 83 0.225 4.016 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.540 3.901 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.533 2.858 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.088 5.256 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.066 6.339 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.550 6.169 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.498 1.721 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.296 1.974 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.303 3.032 -4.459 1.00 0.00 H new ATOM 1244 N ILE A 84 4.158 5.970 -1.172 1.00 0.00 N ATOM 1245 CA ILE A 84 5.149 6.994 -1.456 1.00 0.00 C ATOM 1246 C ILE A 84 6.049 6.523 -2.601 1.00 0.00 C ATOM 1247 O ILE A 84 6.176 5.323 -2.842 1.00 0.00 O ATOM 1248 CB ILE A 84 5.916 7.365 -0.185 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.932 6.280 0.179 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.955 7.661 0.968 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.359 6.741 -0.126 1.00 0.00 C ATOM 0 H ILE A 84 4.533 5.117 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 84 4.664 7.912 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 84 6.477 8.279 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.844 6.034 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.713 5.370 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.526 7.922 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.306 8.493 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.348 6.779 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 84 9.061 5.952 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.450 6.963 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.583 7.638 0.452 1.00 0.00 H new ATOM 1263 N PRO A 85 6.665 7.517 -3.294 1.00 0.00 N ATOM 1264 CA PRO A 85 7.548 7.217 -4.408 1.00 0.00 C ATOM 1265 C PRO A 85 8.893 6.682 -3.912 1.00 0.00 C ATOM 1266 O PRO A 85 9.573 7.337 -3.124 1.00 0.00 O ATOM 1267 CB PRO A 85 7.674 8.524 -5.174 1.00 0.00 C ATOM 1268 CG PRO A 85 7.238 9.615 -4.210 1.00 0.00 C ATOM 1269 CD PRO A 85 6.537 8.949 -3.037 1.00 0.00 C ATOM 0 HA PRO A 85 7.159 6.429 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.699 8.684 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.047 8.517 -6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.100 10.186 -3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.568 10.317 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.001 9.225 -2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.491 9.249 -2.979 1.00 0.00 H new ATOM 1277 N ARG A 86 9.237 5.497 -4.395 1.00 0.00 N ATOM 1278 CA ARG A 86 10.488 4.867 -4.010 1.00 0.00 C ATOM 1279 C ARG A 86 11.666 5.564 -4.695 1.00 0.00 C ATOM 1280 O ARG A 86 11.865 5.414 -5.900 1.00 0.00 O ATOM 1281 CB ARG A 86 10.496 3.383 -4.383 1.00 0.00 C ATOM 1282 CG ARG A 86 10.664 2.506 -3.141 1.00 0.00 C ATOM 1283 CD ARG A 86 12.052 1.861 -3.110 1.00 0.00 C ATOM 1284 NE ARG A 86 13.046 2.824 -2.586 1.00 0.00 N ATOM 1285 CZ ARG A 86 14.367 2.601 -2.562 1.00 0.00 C ATOM 1286 NH1 ARG A 86 14.861 1.448 -3.033 1.00 0.00 N ATOM 1287 NH2 ARG A 86 15.195 3.532 -2.068 1.00 0.00 N ATOM 0 H ARG A 86 8.671 4.957 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 86 10.586 4.958 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.566 3.127 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.306 3.185 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.518 3.108 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.898 1.730 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.033 0.968 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.336 1.542 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 86 12.704 3.713 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.231 0.740 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.867 1.279 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.820 4.410 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.201 3.362 -2.050 1.00 0.00 H new