USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 687 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 18 MET CE :methyl -135:sc= 0 (180deg=-0.632) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.418 K(o=0.42,f=-0.36) USER MOD Single : A 44 MET CE :methyl 158:sc= -0.0897 (180deg=-0.567) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 72 HIS : no HD1:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0565 USER MOD Single : A 79 MET CE :methyl -163:sc= -0.118 (180deg=-0.203) USER MOD Single : A 80 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=-0.39) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 85 ASN : amide:sc= 0.00436 K(o=0.0044,f=-0.85) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.395 K(o=-0.39,f=-3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.557 -8.331 11.649 1.00 0.00 N ATOM 67 CA TYR A 8 -12.845 -8.521 10.400 1.00 0.00 C ATOM 68 C TYR A 8 -11.555 -9.239 10.715 1.00 0.00 C ATOM 69 O TYR A 8 -11.357 -9.758 11.821 1.00 0.00 O ATOM 70 CB TYR A 8 -12.707 -7.191 9.631 1.00 0.00 C ATOM 71 CG TYR A 8 -12.133 -6.023 10.383 1.00 0.00 C ATOM 72 CD1 TYR A 8 -12.988 -5.215 11.148 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.786 -5.669 10.206 1.00 0.00 C ATOM 74 CE1 TYR A 8 -12.485 -4.053 11.754 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.280 -4.488 10.778 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.138 -3.667 11.555 1.00 0.00 C ATOM 77 OH TYR A 8 -10.723 -2.478 12.074 1.00 0.00 O ATOM 0 HA TYR A 8 -13.397 -9.152 9.704 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.083 -7.369 8.755 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.694 -6.907 9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.026 -5.485 11.270 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.135 -6.307 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.130 -3.450 12.376 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.248 -4.208 10.627 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.776 -2.341 11.862 1.00 0.00 H new ATOM 87 N LYS A 9 -10.730 -9.380 9.694 1.00 0.00 N ATOM 88 CA LYS A 9 -9.330 -9.638 9.869 1.00 0.00 C ATOM 89 C LYS A 9 -8.628 -8.724 8.890 1.00 0.00 C ATOM 90 O LYS A 9 -9.111 -8.521 7.771 1.00 0.00 O ATOM 91 CB LYS A 9 -9.048 -11.137 9.727 1.00 0.00 C ATOM 92 CG LYS A 9 -9.243 -11.764 8.337 1.00 0.00 C ATOM 93 CD LYS A 9 -9.061 -13.286 8.447 1.00 0.00 C ATOM 94 CE LYS A 9 -9.415 -14.009 7.146 1.00 0.00 C ATOM 95 NZ LYS A 9 -9.386 -15.479 7.305 1.00 0.00 N ATOM 0 H LYS A 9 -11.023 -9.317 8.719 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.951 -9.413 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.018 -11.317 10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.690 -11.669 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.236 -11.530 7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.523 -11.348 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.028 -13.508 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.687 -13.667 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.407 -13.699 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.714 -13.715 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.632 -15.931 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.433 -15.778 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.073 -15.763 8.032 1.00 0.00 H new ATOM 109 N GLU A 10 -7.551 -8.111 9.353 1.00 0.00 N ATOM 110 CA GLU A 10 -6.580 -7.477 8.491 1.00 0.00 C ATOM 111 C GLU A 10 -5.658 -8.610 8.044 1.00 0.00 C ATOM 112 O GLU A 10 -5.473 -9.607 8.753 1.00 0.00 O ATOM 113 CB GLU A 10 -5.810 -6.417 9.297 1.00 0.00 C ATOM 114 CG GLU A 10 -6.328 -5.008 9.016 1.00 0.00 C ATOM 115 CD GLU A 10 -5.838 -3.989 10.047 1.00 0.00 C ATOM 116 OE1 GLU A 10 -4.657 -4.110 10.471 1.00 0.00 O ATOM 117 OE2 GLU A 10 -6.622 -3.116 10.463 1.00 0.00 O ATOM 0 H GLU A 10 -7.329 -8.042 10.346 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.026 -6.969 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.901 -6.633 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.750 -6.471 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.007 -4.698 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.418 -5.019 9.010 1.00 0.00 H new ATOM 124 N LEU A 11 -5.069 -8.447 6.872 1.00 0.00 N ATOM 125 CA LEU A 11 -3.980 -9.266 6.361 1.00 0.00 C ATOM 126 C LEU A 11 -2.824 -8.318 6.098 1.00 0.00 C ATOM 127 O LEU A 11 -3.029 -7.122 5.907 1.00 0.00 O ATOM 128 CB LEU A 11 -4.360 -9.998 5.057 1.00 0.00 C ATOM 129 CG LEU A 11 -5.252 -11.240 5.245 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.741 -10.887 5.349 1.00 0.00 C ATOM 131 CD2 LEU A 11 -5.057 -12.200 4.064 1.00 0.00 C ATOM 0 H LEU A 11 -5.347 -7.711 6.223 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.727 -10.040 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.874 -9.296 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.445 -10.300 4.547 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.951 -11.707 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.323 -11.799 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.900 -10.229 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.060 -10.382 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.689 -13.077 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.330 -11.696 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.013 -12.509 4.015 1.00 0.00 H new ATOM 143 N ASP A 12 -1.621 -8.844 5.954 1.00 0.00 N ATOM 144 CA ASP A 12 -0.397 -8.119 5.657 1.00 0.00 C ATOM 145 C ASP A 12 0.216 -8.738 4.417 1.00 0.00 C ATOM 146 O ASP A 12 0.483 -9.944 4.393 1.00 0.00 O ATOM 147 CB ASP A 12 0.571 -8.142 6.859 1.00 0.00 C ATOM 148 CG ASP A 12 0.710 -9.473 7.621 1.00 0.00 C ATOM 149 OD1 ASP A 12 0.257 -10.545 7.152 1.00 0.00 O ATOM 150 OD2 ASP A 12 1.117 -9.472 8.801 1.00 0.00 O ATOM 0 H ASP A 12 -1.462 -9.847 6.047 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.613 -7.067 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.559 -7.851 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.249 -7.378 7.567 1.00 0.00 H new ATOM 155 N VAL A 13 0.406 -7.937 3.366 1.00 0.00 N ATOM 156 CA VAL A 13 1.079 -8.399 2.156 1.00 0.00 C ATOM 157 C VAL A 13 2.286 -7.500 1.933 1.00 0.00 C ATOM 158 O VAL A 13 2.124 -6.333 1.584 1.00 0.00 O ATOM 159 CB VAL A 13 0.098 -8.410 0.973 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.780 -8.758 -0.357 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.025 -9.434 1.190 1.00 0.00 C ATOM 0 H VAL A 13 0.102 -6.964 3.331 1.00 0.00 H new ATOM 0 HA VAL A 13 1.428 -9.427 2.256 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.303 -7.398 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.041 -8.751 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.555 -8.022 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.230 -9.748 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.702 -9.418 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.594 -10.430 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.577 -9.182 2.096 1.00 0.00 H new ATOM 171 N HIS A 14 3.486 -8.030 2.138 1.00 0.00 N ATOM 172 CA HIS A 14 4.716 -7.471 1.600 1.00 0.00 C ATOM 173 C HIS A 14 4.829 -7.855 0.120 1.00 0.00 C ATOM 174 O HIS A 14 4.502 -8.989 -0.248 1.00 0.00 O ATOM 175 CB HIS A 14 5.888 -8.053 2.400 1.00 0.00 C ATOM 176 CG HIS A 14 7.239 -7.852 1.770 1.00 0.00 C ATOM 177 ND1 HIS A 14 8.098 -6.802 1.996 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.828 -8.694 0.868 1.00 0.00 C ATOM 179 CE1 HIS A 14 9.197 -7.010 1.254 1.00 0.00 C ATOM 180 NE2 HIS A 14 9.084 -8.160 0.562 1.00 0.00 N ATOM 0 H HIS A 14 3.632 -8.874 2.692 1.00 0.00 H new ATOM 0 HA HIS A 14 4.725 -6.384 1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.894 -7.601 3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.721 -9.121 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.403 -9.602 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.050 -6.349 1.217 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.780 -8.564 -0.065 1.00 0.00 H new ATOM 188 N LEU A 15 5.377 -6.954 -0.700 1.00 0.00 N ATOM 189 CA LEU A 15 5.822 -7.246 -2.061 1.00 0.00 C ATOM 190 C LEU A 15 7.128 -6.513 -2.317 1.00 0.00 C ATOM 191 O LEU A 15 7.218 -5.295 -2.150 1.00 0.00 O ATOM 192 CB LEU A 15 4.814 -6.782 -3.124 1.00 0.00 C ATOM 193 CG LEU A 15 3.568 -7.665 -3.274 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.593 -6.982 -4.248 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.918 -9.054 -3.808 1.00 0.00 C ATOM 0 H LEU A 15 5.526 -5.982 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 15 5.933 -8.328 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.494 -5.769 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.323 -6.733 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 15 3.115 -7.788 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.702 -7.599 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.309 -6.006 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.076 -6.856 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.009 -9.648 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.390 -8.960 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.605 -9.546 -3.120 1.00 0.00 H new ATOM 207 N ARG A 16 8.136 -7.243 -2.784 1.00 0.00 N ATOM 208 CA ARG A 16 9.393 -6.653 -3.246 1.00 0.00 C ATOM 209 C ARG A 16 9.224 -5.946 -4.588 1.00 0.00 C ATOM 210 O ARG A 16 8.319 -6.265 -5.361 1.00 0.00 O ATOM 211 CB ARG A 16 10.466 -7.744 -3.327 1.00 0.00 C ATOM 212 CG ARG A 16 10.218 -8.781 -4.435 1.00 0.00 C ATOM 213 CD ARG A 16 10.940 -10.083 -4.095 1.00 0.00 C ATOM 214 NE ARG A 16 11.114 -10.929 -5.280 1.00 0.00 N ATOM 215 CZ ARG A 16 12.269 -11.462 -5.693 1.00 0.00 C ATOM 216 NH1 ARG A 16 13.400 -11.288 -5.017 1.00 0.00 N ATOM 217 NH2 ARG A 16 12.264 -12.161 -6.813 1.00 0.00 N ATOM 0 H ARG A 16 8.107 -8.260 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 16 9.707 -5.894 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.436 -7.275 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.521 -8.258 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.149 -8.964 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.572 -8.397 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.915 -9.857 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.374 -10.627 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 16 10.283 -11.128 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.402 -10.736 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.266 -11.707 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.396 -12.281 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.128 -12.581 -7.156 1.00 0.00 H new ATOM 231 N ARG A 17 10.142 -5.041 -4.925 1.00 0.00 N ATOM 232 CA ARG A 17 10.308 -4.467 -6.249 1.00 0.00 C ATOM 233 C ARG A 17 11.806 -4.322 -6.500 1.00 0.00 C ATOM 234 O ARG A 17 12.371 -3.270 -6.194 1.00 0.00 O ATOM 235 CB ARG A 17 9.575 -3.131 -6.376 1.00 0.00 C ATOM 236 CG ARG A 17 9.877 -2.344 -7.656 1.00 0.00 C ATOM 237 CD ARG A 17 9.865 -0.860 -7.329 1.00 0.00 C ATOM 238 NE ARG A 17 10.547 -0.111 -8.378 1.00 0.00 N ATOM 239 CZ ARG A 17 11.863 0.111 -8.431 1.00 0.00 C ATOM 240 NH1 ARG A 17 12.693 -0.508 -7.589 1.00 0.00 N ATOM 241 NH2 ARG A 17 12.308 0.969 -9.341 1.00 0.00 N ATOM 0 H ARG A 17 10.815 -4.676 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 17 9.867 -5.119 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.502 -3.317 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.831 -2.510 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.847 -2.635 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.134 -2.568 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.838 -0.510 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.354 -0.687 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 17 9.975 0.273 -9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.324 -1.159 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.696 -0.330 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.651 1.433 -9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.307 1.165 -9.412 1.00 0.00 H new ATOM 255 N MET A 18 12.435 -5.349 -7.060 1.00 0.00 N ATOM 256 CA MET A 18 13.808 -5.295 -7.552 1.00 0.00 C ATOM 257 C MET A 18 13.991 -6.345 -8.653 1.00 0.00 C ATOM 258 O MET A 18 14.483 -5.998 -9.722 1.00 0.00 O ATOM 259 CB MET A 18 14.812 -5.425 -6.391 1.00 0.00 C ATOM 260 CG MET A 18 15.567 -4.099 -6.202 1.00 0.00 C ATOM 261 SD MET A 18 16.576 -3.946 -4.701 1.00 0.00 S ATOM 262 CE MET A 18 15.280 -3.716 -3.461 1.00 0.00 C ATOM 0 H MET A 18 11.997 -6.261 -7.188 1.00 0.00 H new ATOM 0 HA MET A 18 14.012 -4.323 -8.001 1.00 0.00 H new ATOM 0 HB2 MET A 18 14.287 -5.689 -5.473 1.00 0.00 H new ATOM 0 HB3 MET A 18 15.518 -6.229 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 18 16.216 -3.950 -7.065 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.838 -3.288 -6.207 1.00 0.00 H new ATOM 0 HE1 MET A 18 15.560 -2.905 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 18 14.342 -3.469 -3.957 1.00 0.00 H new ATOM 0 HE3 MET A 18 15.157 -4.636 -2.889 1.00 0.00 H new ATOM 272 N GLU A 19 13.440 -7.557 -8.498 1.00 0.00 N ATOM 273 CA GLU A 19 12.867 -8.270 -9.649 1.00 0.00 C ATOM 274 C GLU A 19 11.544 -7.574 -10.035 1.00 0.00 C ATOM 275 O GLU A 19 11.323 -6.437 -9.610 1.00 0.00 O ATOM 276 CB GLU A 19 12.745 -9.777 -9.372 1.00 0.00 C ATOM 277 CG GLU A 19 14.134 -10.395 -9.113 1.00 0.00 C ATOM 278 CD GLU A 19 14.200 -11.879 -9.481 1.00 0.00 C ATOM 279 OE1 GLU A 19 14.259 -12.196 -10.692 1.00 0.00 O ATOM 280 OE2 GLU A 19 14.241 -12.734 -8.571 1.00 0.00 O ATOM 0 H GLU A 19 13.379 -8.055 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 19 13.529 -8.216 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.101 -9.943 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.274 -10.271 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.882 -9.849 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.390 -10.275 -8.060 1.00 0.00 H new ATOM 287 N SER A 20 10.662 -8.197 -10.828 1.00 0.00 N ATOM 288 CA SER A 20 9.748 -7.548 -11.781 1.00 0.00 C ATOM 289 C SER A 20 8.652 -6.618 -11.215 1.00 0.00 C ATOM 290 O SER A 20 7.779 -6.175 -11.962 1.00 0.00 O ATOM 291 CB SER A 20 9.091 -8.630 -12.653 1.00 0.00 C ATOM 292 OG SER A 20 10.036 -9.603 -13.058 1.00 0.00 O ATOM 0 H SER A 20 10.561 -9.212 -10.823 1.00 0.00 H new ATOM 0 HA SER A 20 10.393 -6.869 -12.339 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.286 -9.110 -12.097 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.640 -8.169 -13.532 1.00 0.00 H new ATOM 0 HG SER A 20 9.592 -10.280 -13.610 1.00 0.00 H new ATOM 298 N GLY A 21 8.666 -6.299 -9.923 1.00 0.00 N ATOM 299 CA GLY A 21 7.855 -5.258 -9.322 1.00 0.00 C ATOM 300 C GLY A 21 6.459 -5.745 -8.972 1.00 0.00 C ATOM 301 O GLY A 21 6.064 -6.870 -9.292 1.00 0.00 O ATOM 0 H GLY A 21 9.264 -6.777 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.347 -4.892 -8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.782 -4.415 -10.009 1.00 0.00 H new ATOM 305 N PHE A 22 5.706 -4.870 -8.307 1.00 0.00 N ATOM 306 CA PHE A 22 4.334 -5.138 -7.905 1.00 0.00 C ATOM 307 C PHE A 22 3.480 -5.263 -9.172 1.00 0.00 C ATOM 308 O PHE A 22 3.854 -4.763 -10.242 1.00 0.00 O ATOM 309 CB PHE A 22 3.780 -4.036 -6.972 1.00 0.00 C ATOM 310 CG PHE A 22 4.782 -3.284 -6.102 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.815 -3.962 -5.428 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.729 -1.877 -6.031 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.803 -3.243 -4.738 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.713 -1.155 -5.330 1.00 0.00 C ATOM 315 CZ PHE A 22 6.759 -1.837 -4.688 1.00 0.00 C ATOM 0 H PHE A 22 6.039 -3.946 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 22 4.302 -6.067 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.254 -3.306 -7.588 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.039 -4.492 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.847 -5.041 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.925 -1.347 -6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.603 -3.772 -4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.664 -0.077 -5.286 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.524 -1.287 -4.160 1.00 0.00 H new ATOM 325 N GLY A 23 2.309 -5.882 -9.050 1.00 0.00 N ATOM 326 CA GLY A 23 1.395 -6.100 -10.159 1.00 0.00 C ATOM 327 C GLY A 23 -0.025 -6.130 -9.626 1.00 0.00 C ATOM 328 O GLY A 23 -0.627 -7.192 -9.538 1.00 0.00 O ATOM 0 H GLY A 23 1.966 -6.251 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.503 -5.307 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.629 -7.038 -10.662 1.00 0.00 H new ATOM 332 N PHE A 24 -0.555 -4.977 -9.231 1.00 0.00 N ATOM 333 CA PHE A 24 -1.953 -4.812 -8.858 1.00 0.00 C ATOM 334 C PHE A 24 -2.414 -3.441 -9.342 1.00 0.00 C ATOM 335 O PHE A 24 -1.602 -2.622 -9.789 1.00 0.00 O ATOM 336 CB PHE A 24 -2.138 -4.993 -7.344 1.00 0.00 C ATOM 337 CG PHE A 24 -1.538 -3.895 -6.483 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.313 -2.767 -6.144 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.224 -4.014 -5.986 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.784 -1.779 -5.302 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.311 -3.011 -5.156 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.476 -1.900 -4.812 1.00 0.00 C ATOM 0 H PHE A 24 -0.013 -4.116 -9.160 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.569 -5.577 -9.330 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.205 -5.058 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.695 -5.945 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.315 -2.664 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.373 -4.876 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.385 -0.924 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.322 -3.095 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.071 -1.135 -4.166 1.00 0.00 H new ATOM 352 N ARG A 25 -3.711 -3.178 -9.239 1.00 0.00 N ATOM 353 CA ARG A 25 -4.323 -1.882 -9.479 1.00 0.00 C ATOM 354 C ARG A 25 -5.258 -1.588 -8.317 1.00 0.00 C ATOM 355 O ARG A 25 -5.696 -2.507 -7.628 1.00 0.00 O ATOM 356 CB ARG A 25 -5.073 -1.923 -10.814 1.00 0.00 C ATOM 357 CG ARG A 25 -5.238 -0.521 -11.403 1.00 0.00 C ATOM 358 CD ARG A 25 -6.064 -0.606 -12.680 1.00 0.00 C ATOM 359 NE ARG A 25 -6.005 0.657 -13.419 1.00 0.00 N ATOM 360 CZ ARG A 25 -6.223 0.781 -14.726 1.00 0.00 C ATOM 361 NH1 ARG A 25 -6.716 -0.246 -15.414 1.00 0.00 N ATOM 362 NH2 ARG A 25 -5.871 1.898 -15.347 1.00 0.00 N ATOM 0 H ARG A 25 -4.390 -3.892 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.577 -1.090 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.531 -2.554 -11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.054 -2.376 -10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.728 0.134 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.261 -0.086 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.693 -1.417 -13.306 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.100 -0.841 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.781 1.502 -12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.925 -1.124 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.884 -0.155 -16.416 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.435 2.657 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.036 1.998 -16.349 1.00 0.00 H new ATOM 376 N ILE A 26 -5.577 -0.319 -8.105 1.00 0.00 N ATOM 377 CA ILE A 26 -6.295 0.176 -6.942 1.00 0.00 C ATOM 378 C ILE A 26 -7.360 1.138 -7.451 1.00 0.00 C ATOM 379 O ILE A 26 -7.069 2.061 -8.219 1.00 0.00 O ATOM 380 CB ILE A 26 -5.326 0.790 -5.901 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.945 1.208 -6.467 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.150 -0.253 -4.788 1.00 0.00 C ATOM 383 CD1 ILE A 26 -3.127 2.092 -5.520 1.00 0.00 C ATOM 0 H ILE A 26 -5.333 0.421 -8.764 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.788 -0.631 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.765 1.720 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.371 0.310 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.094 1.740 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.472 0.136 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.118 -0.469 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.735 -1.168 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.175 2.342 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.679 3.008 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.944 1.556 -4.589 1.00 0.00 H new ATOM 395 N LEU A 27 -8.606 0.807 -7.124 1.00 0.00 N ATOM 396 CA LEU A 27 -9.838 1.379 -7.642 1.00 0.00 C ATOM 397 C LEU A 27 -10.532 2.112 -6.490 1.00 0.00 C ATOM 398 O LEU A 27 -9.971 2.218 -5.393 1.00 0.00 O ATOM 399 CB LEU A 27 -10.686 0.225 -8.210 1.00 0.00 C ATOM 400 CG LEU A 27 -10.343 -0.254 -9.637 1.00 0.00 C ATOM 401 CD1 LEU A 27 -11.233 0.410 -10.685 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.884 -0.122 -10.104 1.00 0.00 C ATOM 0 H LEU A 27 -8.791 0.076 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.669 2.098 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.597 -0.626 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.731 0.533 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.528 -1.325 -9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.961 0.047 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.276 0.167 -10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.098 1.491 -10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.793 -0.497 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.586 0.926 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.237 -0.701 -9.445 1.00 0.00 H new ATOM 414 N GLY A 28 -11.719 2.668 -6.733 1.00 0.00 N ATOM 415 CA GLY A 28 -12.441 3.430 -5.726 1.00 0.00 C ATOM 416 C GLY A 28 -11.639 4.658 -5.319 1.00 0.00 C ATOM 417 O GLY A 28 -10.993 5.277 -6.175 1.00 0.00 O ATOM 0 H GLY A 28 -12.201 2.601 -7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.412 3.734 -6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.630 2.805 -4.853 1.00 0.00 H new ATOM 421 N GLY A 29 -11.713 5.029 -4.037 1.00 0.00 N ATOM 422 CA GLY A 29 -11.032 6.195 -3.481 1.00 0.00 C ATOM 423 C GLY A 29 -11.440 7.502 -4.160 1.00 0.00 C ATOM 424 O GLY A 29 -10.695 8.478 -4.107 1.00 0.00 O ATOM 0 H GLY A 29 -12.259 4.515 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.249 6.262 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.955 6.061 -3.579 1.00 0.00 H new ATOM 428 N ASP A 30 -12.592 7.518 -4.836 1.00 0.00 N ATOM 429 CA ASP A 30 -12.999 8.597 -5.729 1.00 0.00 C ATOM 430 C ASP A 30 -13.162 9.909 -4.970 1.00 0.00 C ATOM 431 O ASP A 30 -12.975 10.991 -5.537 1.00 0.00 O ATOM 432 CB ASP A 30 -14.299 8.209 -6.446 1.00 0.00 C ATOM 433 CG ASP A 30 -14.122 8.209 -7.955 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.408 7.319 -8.464 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.706 9.086 -8.629 1.00 0.00 O ATOM 0 H ASP A 30 -13.278 6.766 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.217 8.750 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.617 7.220 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.090 8.907 -6.171 1.00 0.00 H new ATOM 440 N GLU A 31 -13.457 9.818 -3.673 1.00 0.00 N ATOM 441 CA GLU A 31 -13.567 10.924 -2.742 1.00 0.00 C ATOM 442 C GLU A 31 -12.950 10.512 -1.400 1.00 0.00 C ATOM 443 O GLU A 31 -12.847 9.306 -1.136 1.00 0.00 O ATOM 444 CB GLU A 31 -15.046 11.257 -2.541 1.00 0.00 C ATOM 445 CG GLU A 31 -15.806 11.575 -3.836 1.00 0.00 C ATOM 446 CD GLU A 31 -17.241 11.913 -3.483 1.00 0.00 C ATOM 447 OE1 GLU A 31 -17.935 11.019 -2.953 1.00 0.00 O ATOM 448 OE2 GLU A 31 -17.623 13.097 -3.637 1.00 0.00 O ATOM 0 H GLU A 31 -13.634 8.918 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.043 11.796 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.531 10.416 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.125 12.111 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.337 12.411 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.774 10.721 -4.513 1.00 0.00 H new ATOM 455 N PRO A 32 -12.579 11.479 -0.536 1.00 0.00 N ATOM 456 CA PRO A 32 -12.116 11.195 0.812 1.00 0.00 C ATOM 457 C PRO A 32 -13.202 10.441 1.570 1.00 0.00 C ATOM 458 O PRO A 32 -14.289 10.978 1.808 1.00 0.00 O ATOM 459 CB PRO A 32 -11.744 12.535 1.457 1.00 0.00 C ATOM 460 CG PRO A 32 -11.809 13.563 0.328 1.00 0.00 C ATOM 461 CD PRO A 32 -12.695 12.918 -0.732 1.00 0.00 C ATOM 0 HA PRO A 32 -11.235 10.553 0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.436 12.790 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.747 12.496 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.230 14.507 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.816 13.782 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.730 13.243 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.373 13.202 -1.734 1.00 0.00 H new ATOM 469 N GLY A 33 -12.924 9.179 1.885 1.00 0.00 N ATOM 470 CA GLY A 33 -13.788 8.320 2.674 1.00 0.00 C ATOM 471 C GLY A 33 -14.498 7.222 1.885 1.00 0.00 C ATOM 472 O GLY A 33 -15.124 6.362 2.508 1.00 0.00 O ATOM 0 H GLY A 33 -12.065 8.717 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.194 7.855 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.540 8.938 3.165 1.00 0.00 H new ATOM 476 N GLN A 34 -14.391 7.190 0.550 1.00 0.00 N ATOM 477 CA GLN A 34 -14.806 6.018 -0.199 1.00 0.00 C ATOM 478 C GLN A 34 -13.842 4.862 0.130 1.00 0.00 C ATOM 479 O GLN A 34 -12.695 5.123 0.515 1.00 0.00 O ATOM 480 CB GLN A 34 -14.863 6.347 -1.706 1.00 0.00 C ATOM 481 CG GLN A 34 -16.172 7.097 -2.009 1.00 0.00 C ATOM 482 CD GLN A 34 -16.447 7.294 -3.501 1.00 0.00 C ATOM 483 OE1 GLN A 34 -16.275 6.378 -4.305 1.00 0.00 O ATOM 484 NE2 GLN A 34 -16.955 8.442 -3.915 1.00 0.00 N ATOM 0 H GLN A 34 -14.025 7.954 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.812 5.707 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.006 6.957 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.810 5.430 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.003 6.548 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.140 8.073 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.100 9.204 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.203 8.566 -4.897 1.00 0.00 H new ATOM 493 N PRO A 35 -14.278 3.602 -0.025 1.00 0.00 N ATOM 494 CA PRO A 35 -13.405 2.436 0.028 1.00 0.00 C ATOM 495 C PRO A 35 -12.332 2.527 -1.051 1.00 0.00 C ATOM 496 O PRO A 35 -12.567 3.061 -2.137 1.00 0.00 O ATOM 497 CB PRO A 35 -14.293 1.210 -0.227 1.00 0.00 C ATOM 498 CG PRO A 35 -15.725 1.736 -0.332 1.00 0.00 C ATOM 499 CD PRO A 35 -15.594 3.248 -0.515 1.00 0.00 C ATOM 0 HA PRO A 35 -12.903 2.371 0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.998 0.699 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.202 0.488 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.248 1.283 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.297 1.498 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.706 3.524 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.370 3.776 0.039 1.00 0.00 H new ATOM 507 N ILE A 36 -11.191 1.902 -0.793 1.00 0.00 N ATOM 508 CA ILE A 36 -10.172 1.598 -1.771 1.00 0.00 C ATOM 509 C ILE A 36 -10.067 0.093 -1.808 1.00 0.00 C ATOM 510 O ILE A 36 -9.381 -0.524 -1.005 1.00 0.00 O ATOM 511 CB ILE A 36 -8.850 2.316 -1.436 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.080 3.825 -1.624 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.703 1.810 -2.338 1.00 0.00 C ATOM 514 CD1 ILE A 36 -7.859 4.701 -1.328 1.00 0.00 C ATOM 0 H ILE A 36 -10.947 1.583 0.144 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.426 1.965 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.555 2.107 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.399 4.005 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.899 4.137 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.781 2.332 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.567 0.739 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.950 2.001 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.115 5.748 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.550 4.557 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.041 4.422 -1.993 1.00 0.00 H new ATOM 526 N LEU A 37 -10.796 -0.513 -2.731 1.00 0.00 N ATOM 527 CA LEU A 37 -10.620 -1.919 -3.034 1.00 0.00 C ATOM 528 C LEU A 37 -9.433 -2.068 -3.973 1.00 0.00 C ATOM 529 O LEU A 37 -9.153 -1.189 -4.800 1.00 0.00 O ATOM 530 CB LEU A 37 -11.882 -2.542 -3.650 1.00 0.00 C ATOM 531 CG LEU A 37 -13.188 -2.200 -2.911 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.343 -3.084 -3.391 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.070 -2.328 -1.397 1.00 0.00 C ATOM 0 H LEU A 37 -11.517 -0.049 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.433 -2.456 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.967 -2.211 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.764 -3.625 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.391 -1.156 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.252 -2.819 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.498 -2.932 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.102 -4.131 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.024 -2.073 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.803 -3.353 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.298 -1.649 -1.034 1.00 0.00 H new ATOM 545 N ILE A 38 -8.791 -3.230 -3.915 1.00 0.00 N ATOM 546 CA ILE A 38 -7.955 -3.692 -5.004 1.00 0.00 C ATOM 547 C ILE A 38 -8.885 -3.748 -6.232 1.00 0.00 C ATOM 548 O ILE A 38 -10.047 -4.161 -6.122 1.00 0.00 O ATOM 549 CB ILE A 38 -7.350 -5.079 -4.705 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.641 -5.136 -3.340 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.387 -5.532 -5.826 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.423 -4.219 -3.221 1.00 0.00 C ATOM 0 H ILE A 38 -8.838 -3.867 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.106 -3.028 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.191 -5.771 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.357 -4.872 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.328 -6.162 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.980 -6.513 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.929 -5.589 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.572 -4.814 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.985 -4.323 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.685 -4.495 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.730 -3.185 -3.376 1.00 0.00 H new ATOM 564 N GLY A 39 -8.404 -3.332 -7.398 1.00 0.00 N ATOM 565 CA GLY A 39 -9.178 -3.353 -8.632 1.00 0.00 C ATOM 566 C GLY A 39 -8.938 -4.621 -9.419 1.00 0.00 C ATOM 567 O GLY A 39 -9.861 -5.357 -9.750 1.00 0.00 O ATOM 0 H GLY A 39 -7.458 -2.968 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.239 -3.265 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.913 -2.490 -9.243 1.00 0.00 H new ATOM 571 N ALA A 40 -7.667 -4.847 -9.727 1.00 0.00 N ATOM 572 CA ALA A 40 -7.171 -5.906 -10.576 1.00 0.00 C ATOM 573 C ALA A 40 -5.887 -6.392 -9.919 1.00 0.00 C ATOM 574 O ALA A 40 -5.155 -5.577 -9.344 1.00 0.00 O ATOM 575 CB ALA A 40 -6.911 -5.326 -11.972 1.00 0.00 C ATOM 0 H ALA A 40 -6.917 -4.258 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.871 -6.733 -10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.536 -6.111 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.840 -4.927 -12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.172 -4.527 -11.902 1.00 0.00 H new ATOM 581 N VAL A 41 -5.595 -7.683 -10.013 1.00 0.00 N ATOM 582 CA VAL A 41 -4.298 -8.234 -9.648 1.00 0.00 C ATOM 583 C VAL A 41 -3.739 -8.819 -10.938 1.00 0.00 C ATOM 584 O VAL A 41 -4.431 -9.569 -11.622 1.00 0.00 O ATOM 585 CB VAL A 41 -4.428 -9.244 -8.497 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.043 -9.759 -8.096 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.042 -8.576 -7.255 1.00 0.00 C ATOM 0 H VAL A 41 -6.258 -8.382 -10.348 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.611 -7.485 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.064 -10.059 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.143 -10.474 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.575 -10.247 -8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.424 -8.923 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.125 -9.308 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.404 -7.753 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.032 -8.192 -7.500 1.00 0.00 H new ATOM 597 N ILE A 42 -2.546 -8.365 -11.321 1.00 0.00 N ATOM 598 CA ILE A 42 -1.947 -8.677 -12.604 1.00 0.00 C ATOM 599 C ILE A 42 -1.477 -10.126 -12.556 1.00 0.00 C ATOM 600 O ILE A 42 -0.526 -10.450 -11.830 1.00 0.00 O ATOM 601 CB ILE A 42 -0.824 -7.676 -12.937 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.327 -6.211 -12.925 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.169 -8.007 -14.286 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.459 -5.876 -13.910 1.00 0.00 C ATOM 0 H ILE A 42 -1.966 -7.763 -10.736 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.669 -8.578 -13.414 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.073 -7.773 -12.153 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.668 -5.974 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.482 -5.556 -13.138 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.620 -7.284 -14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.258 -9.009 -14.247 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.919 -7.963 -15.075 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.728 -4.824 -13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.124 -6.071 -14.929 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.329 -6.495 -13.689 1.00 0.00 H new ATOM 616 N ALA A 43 -2.161 -10.977 -13.322 1.00 0.00 N ATOM 617 CA ALA A 43 -1.885 -12.396 -13.407 1.00 0.00 C ATOM 618 C ALA A 43 -0.422 -12.635 -13.781 1.00 0.00 C ATOM 619 O ALA A 43 0.170 -11.840 -14.519 1.00 0.00 O ATOM 620 CB ALA A 43 -2.834 -13.057 -14.405 1.00 0.00 C ATOM 0 H ALA A 43 -2.940 -10.683 -13.912 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.054 -12.851 -12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.618 -14.124 -14.461 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.864 -12.912 -14.079 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.699 -12.607 -15.389 1.00 0.00 H new ATOM 626 N MET A 44 0.141 -13.747 -13.304 1.00 0.00 N ATOM 627 CA MET A 44 1.480 -14.261 -13.613 1.00 0.00 C ATOM 628 C MET A 44 2.641 -13.379 -13.100 1.00 0.00 C ATOM 629 O MET A 44 3.803 -13.803 -13.173 1.00 0.00 O ATOM 630 CB MET A 44 1.602 -14.561 -15.123 1.00 0.00 C ATOM 631 CG MET A 44 0.489 -15.448 -15.707 1.00 0.00 C ATOM 632 SD MET A 44 0.394 -17.157 -15.093 1.00 0.00 S ATOM 633 CE MET A 44 -0.891 -17.010 -13.824 1.00 0.00 C ATOM 0 H MET A 44 -0.356 -14.352 -12.650 1.00 0.00 H new ATOM 0 HA MET A 44 1.586 -15.192 -13.056 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.613 -13.615 -15.665 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.562 -15.044 -15.305 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.468 -14.964 -15.513 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.615 -15.483 -16.789 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.333 -17.989 -13.639 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.450 -16.630 -12.902 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.664 -16.322 -14.167 1.00 0.00 H new ATOM 643 N GLY A 45 2.363 -12.187 -12.557 1.00 0.00 N ATOM 644 CA GLY A 45 3.336 -11.261 -11.981 1.00 0.00 C ATOM 645 C GLY A 45 3.760 -11.698 -10.576 1.00 0.00 C ATOM 646 O GLY A 45 3.776 -12.889 -10.270 1.00 0.00 O ATOM 0 H GLY A 45 1.409 -11.829 -12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.213 -11.205 -12.626 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.907 -10.260 -11.938 1.00 0.00 H new ATOM 650 N SER A 46 4.148 -10.759 -9.705 1.00 0.00 N ATOM 651 CA SER A 46 4.309 -11.079 -8.287 1.00 0.00 C ATOM 652 C SER A 46 2.964 -11.416 -7.654 1.00 0.00 C ATOM 653 O SER A 46 2.791 -12.514 -7.148 1.00 0.00 O ATOM 654 CB SER A 46 4.951 -9.937 -7.498 1.00 0.00 C ATOM 655 OG SER A 46 6.352 -9.948 -7.606 1.00 0.00 O ATOM 0 H SER A 46 4.352 -9.791 -9.953 1.00 0.00 H new ATOM 0 HA SER A 46 4.973 -11.942 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.566 -8.984 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.667 -10.016 -6.449 1.00 0.00 H new ATOM 0 HG SER A 46 6.726 -9.203 -7.090 1.00 0.00 H new ATOM 661 N ALA A 47 2.047 -10.446 -7.614 1.00 0.00 N ATOM 662 CA ALA A 47 0.945 -10.446 -6.658 1.00 0.00 C ATOM 663 C ALA A 47 0.016 -11.651 -6.826 1.00 0.00 C ATOM 664 O ALA A 47 -0.333 -12.309 -5.854 1.00 0.00 O ATOM 665 CB ALA A 47 0.175 -9.135 -6.799 1.00 0.00 C ATOM 0 H ALA A 47 2.050 -9.643 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 47 1.362 -10.530 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.653 -9.121 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.842 -8.297 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.215 -9.049 -7.813 1.00 0.00 H new ATOM 671 N ASP A 48 -0.346 -11.957 -8.069 1.00 0.00 N ATOM 672 CA ASP A 48 -1.166 -13.111 -8.425 1.00 0.00 C ATOM 673 C ASP A 48 -0.505 -14.427 -7.992 1.00 0.00 C ATOM 674 O ASP A 48 -1.146 -15.275 -7.376 1.00 0.00 O ATOM 675 CB ASP A 48 -1.383 -13.051 -9.933 1.00 0.00 C ATOM 676 CG ASP A 48 -2.027 -14.311 -10.492 1.00 0.00 C ATOM 677 OD1 ASP A 48 -3.271 -14.443 -10.356 1.00 0.00 O ATOM 678 OD2 ASP A 48 -1.290 -15.039 -11.178 1.00 0.00 O ATOM 0 H ASP A 48 -0.071 -11.396 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.123 -13.080 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.012 -12.193 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.424 -12.890 -10.426 1.00 0.00 H new ATOM 683 N ARG A 49 0.795 -14.591 -8.259 1.00 0.00 N ATOM 684 CA ARG A 49 1.605 -15.709 -7.842 1.00 0.00 C ATOM 685 C ARG A 49 1.719 -15.817 -6.326 1.00 0.00 C ATOM 686 O ARG A 49 1.697 -16.928 -5.803 1.00 0.00 O ATOM 687 CB ARG A 49 2.970 -15.485 -8.499 1.00 0.00 C ATOM 688 CG ARG A 49 3.646 -16.817 -8.701 1.00 0.00 C ATOM 689 CD ARG A 49 5.078 -16.627 -9.197 1.00 0.00 C ATOM 690 NE ARG A 49 5.817 -17.891 -9.139 1.00 0.00 N ATOM 691 CZ ARG A 49 6.870 -18.245 -9.879 1.00 0.00 C ATOM 692 NH1 ARG A 49 7.287 -17.470 -10.879 1.00 0.00 N ATOM 693 NH2 ARG A 49 7.479 -19.399 -9.630 1.00 0.00 N ATOM 0 H ARG A 49 1.324 -13.906 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 49 1.156 -16.654 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.848 -14.977 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.588 -14.841 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.652 -17.373 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.083 -17.411 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.067 -16.253 -10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.583 -15.876 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 49 5.491 -18.576 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.801 -16.597 -11.085 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.093 -17.749 -11.439 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.141 -20.003 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.285 -19.681 -10.188 1.00 0.00 H new ATOM 707 N ASP A 50 1.853 -14.696 -5.624 1.00 0.00 N ATOM 708 CA ASP A 50 1.817 -14.607 -4.165 1.00 0.00 C ATOM 709 C ASP A 50 0.447 -15.060 -3.635 1.00 0.00 C ATOM 710 O ASP A 50 0.383 -15.802 -2.645 1.00 0.00 O ATOM 711 CB ASP A 50 2.229 -13.182 -3.745 1.00 0.00 C ATOM 712 CG ASP A 50 1.513 -12.656 -2.504 1.00 0.00 C ATOM 713 OD1 ASP A 50 0.344 -12.242 -2.663 1.00 0.00 O ATOM 714 OD2 ASP A 50 2.154 -12.565 -1.431 1.00 0.00 O ATOM 0 H ASP A 50 1.995 -13.790 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 50 2.535 -15.288 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.304 -13.167 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.037 -12.502 -4.575 1.00 0.00 H new ATOM 719 N GLY A 51 -0.628 -14.737 -4.359 1.00 0.00 N ATOM 720 CA GLY A 51 -1.976 -15.245 -4.144 1.00 0.00 C ATOM 721 C GLY A 51 -2.595 -14.769 -2.842 1.00 0.00 C ATOM 722 O GLY A 51 -3.539 -15.397 -2.359 1.00 0.00 O ATOM 0 H GLY A 51 -0.575 -14.087 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.610 -14.936 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.952 -16.335 -4.150 1.00 0.00 H new ATOM 726 N ARG A 52 -2.024 -13.744 -2.218 1.00 0.00 N ATOM 727 CA ARG A 52 -2.452 -13.184 -0.964 1.00 0.00 C ATOM 728 C ARG A 52 -3.301 -11.942 -1.221 1.00 0.00 C ATOM 729 O ARG A 52 -4.244 -11.701 -0.467 1.00 0.00 O ATOM 730 CB ARG A 52 -1.162 -12.888 -0.187 1.00 0.00 C ATOM 731 CG ARG A 52 -1.382 -13.142 1.284 1.00 0.00 C ATOM 732 CD ARG A 52 -0.081 -12.974 2.085 1.00 0.00 C ATOM 733 NE ARG A 52 -0.294 -12.484 3.459 1.00 0.00 N ATOM 734 CZ ARG A 52 -0.689 -13.204 4.511 1.00 0.00 C ATOM 735 NH1 ARG A 52 -1.308 -14.366 4.344 1.00 0.00 N ATOM 736 NH2 ARG A 52 -0.470 -12.766 5.744 1.00 0.00 N ATOM 0 H ARG A 52 -1.210 -13.265 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.085 -13.855 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.352 -13.516 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.860 -11.853 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.136 -12.453 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.770 -14.150 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.437 -13.932 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.574 -12.280 1.558 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.122 -11.492 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.487 -14.718 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.605 -14.907 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.003 -11.874 5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.774 -13.321 6.544 1.00 0.00 H new ATOM 750 N LEU A 53 -3.013 -11.185 -2.284 1.00 0.00 N ATOM 751 CA LEU A 53 -3.934 -10.193 -2.828 1.00 0.00 C ATOM 752 C LEU A 53 -4.981 -10.901 -3.680 1.00 0.00 C ATOM 753 O LEU A 53 -4.650 -11.828 -4.422 1.00 0.00 O ATOM 754 CB LEU A 53 -3.185 -9.194 -3.731 1.00 0.00 C ATOM 755 CG LEU A 53 -2.557 -8.013 -2.977 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.730 -7.157 -3.945 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.621 -7.098 -2.373 1.00 0.00 C ATOM 0 H LEU A 53 -2.130 -11.246 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.397 -9.660 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.400 -9.726 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.878 -8.807 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.939 -8.436 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.287 -6.321 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.939 -7.765 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.376 -6.776 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.137 -6.275 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.253 -6.701 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.233 -7.665 -1.672 1.00 0.00 H new ATOM 769 N HIS A 54 -6.200 -10.362 -3.682 1.00 0.00 N ATOM 770 CA HIS A 54 -7.247 -10.665 -4.653 1.00 0.00 C ATOM 771 C HIS A 54 -7.980 -9.366 -5.013 1.00 0.00 C ATOM 772 O HIS A 54 -8.109 -8.478 -4.162 1.00 0.00 O ATOM 773 CB HIS A 54 -8.224 -11.711 -4.102 1.00 0.00 C ATOM 774 CG HIS A 54 -7.615 -13.075 -3.864 1.00 0.00 C ATOM 775 ND1 HIS A 54 -7.574 -13.742 -2.662 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.024 -13.881 -4.803 1.00 0.00 C ATOM 777 CE1 HIS A 54 -6.936 -14.908 -2.867 1.00 0.00 C ATOM 778 NE2 HIS A 54 -6.596 -15.050 -4.160 1.00 0.00 N ATOM 0 H HIS A 54 -6.494 -9.680 -2.983 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.795 -11.088 -5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.638 -11.343 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.056 -11.815 -4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.909 -13.655 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.725 -15.634 -2.096 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.123 -15.847 -4.586 1.00 0.00 H new ATOM 786 N PRO A 55 -8.459 -9.220 -6.261 1.00 0.00 N ATOM 787 CA PRO A 55 -9.191 -8.040 -6.693 1.00 0.00 C ATOM 788 C PRO A 55 -10.563 -7.977 -6.016 1.00 0.00 C ATOM 789 O PRO A 55 -11.441 -8.799 -6.300 1.00 0.00 O ATOM 790 CB PRO A 55 -9.260 -8.120 -8.218 1.00 0.00 C ATOM 791 CG PRO A 55 -9.012 -9.587 -8.561 1.00 0.00 C ATOM 792 CD PRO A 55 -8.268 -10.158 -7.360 1.00 0.00 C ATOM 0 HA PRO A 55 -8.698 -7.113 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.232 -7.790 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.510 -7.477 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.950 -10.116 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.422 -9.684 -9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.654 -11.143 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.208 -10.280 -7.584 1.00 0.00 H new ATOM 800 N GLY A 56 -10.745 -6.988 -5.142 1.00 0.00 N ATOM 801 CA GLY A 56 -11.958 -6.745 -4.374 1.00 0.00 C ATOM 802 C GLY A 56 -11.675 -6.579 -2.882 1.00 0.00 C ATOM 803 O GLY A 56 -12.541 -6.088 -2.154 1.00 0.00 O ATOM 0 H GLY A 56 -10.015 -6.304 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.450 -5.848 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.650 -7.574 -4.520 1.00 0.00 H new ATOM 807 N ASP A 57 -10.485 -6.966 -2.412 1.00 0.00 N ATOM 808 CA ASP A 57 -10.078 -6.849 -1.010 1.00 0.00 C ATOM 809 C ASP A 57 -9.963 -5.356 -0.681 1.00 0.00 C ATOM 810 O ASP A 57 -9.539 -4.585 -1.540 1.00 0.00 O ATOM 811 CB ASP A 57 -8.748 -7.589 -0.754 1.00 0.00 C ATOM 812 CG ASP A 57 -8.853 -9.125 -0.747 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.824 -9.696 -1.299 1.00 0.00 O ATOM 814 OD2 ASP A 57 -8.009 -9.771 -0.089 1.00 0.00 O ATOM 0 H ASP A 57 -9.765 -7.377 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.819 -7.315 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.030 -7.292 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.346 -7.262 0.205 1.00 0.00 H new ATOM 819 N GLU A 58 -10.374 -4.900 0.506 1.00 0.00 N ATOM 820 CA GLU A 58 -10.379 -3.485 0.869 1.00 0.00 C ATOM 821 C GLU A 58 -9.028 -3.137 1.489 1.00 0.00 C ATOM 822 O GLU A 58 -8.634 -3.765 2.469 1.00 0.00 O ATOM 823 CB GLU A 58 -11.515 -3.246 1.873 1.00 0.00 C ATOM 824 CG GLU A 58 -12.236 -1.894 1.687 1.00 0.00 C ATOM 825 CD GLU A 58 -12.652 -1.280 3.016 1.00 0.00 C ATOM 826 OE1 GLU A 58 -13.413 -1.947 3.750 1.00 0.00 O ATOM 827 OE2 GLU A 58 -12.191 -0.162 3.355 1.00 0.00 O ATOM 0 H GLU A 58 -10.716 -5.511 1.248 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.539 -2.855 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.244 -4.051 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.110 -3.295 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.579 -1.203 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.118 -2.037 1.062 1.00 0.00 H new ATOM 834 N LEU A 59 -8.304 -2.169 0.935 1.00 0.00 N ATOM 835 CA LEU A 59 -7.045 -1.676 1.480 1.00 0.00 C ATOM 836 C LEU A 59 -7.275 -0.855 2.742 1.00 0.00 C ATOM 837 O LEU A 59 -8.333 -0.249 2.933 1.00 0.00 O ATOM 838 CB LEU A 59 -6.289 -0.810 0.455 1.00 0.00 C ATOM 839 CG LEU A 59 -5.305 -1.572 -0.448 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.615 -0.557 -1.353 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.166 -2.226 0.351 1.00 0.00 C ATOM 0 H LEU A 59 -8.583 -1.696 0.076 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.444 -2.552 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.019 -0.303 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.740 -0.036 0.992 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.877 -2.333 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.910 -1.072 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.361 -0.043 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.080 0.170 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.498 -2.752 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.608 -1.457 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.584 -2.934 1.067 1.00 0.00 H new ATOM 853 N VAL A 60 -6.223 -0.780 3.553 1.00 0.00 N ATOM 854 CA VAL A 60 -6.166 -0.052 4.811 1.00 0.00 C ATOM 855 C VAL A 60 -4.867 0.745 4.863 1.00 0.00 C ATOM 856 O VAL A 60 -4.926 1.959 5.065 1.00 0.00 O ATOM 857 CB VAL A 60 -6.268 -1.005 6.020 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.656 -0.214 7.275 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.292 -2.126 5.844 1.00 0.00 C ATOM 0 H VAL A 60 -5.344 -1.250 3.337 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.017 0.627 4.865 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.284 -1.465 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.726 -0.892 8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.898 0.543 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.620 0.270 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.303 -2.752 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.281 -1.694 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.023 -2.732 4.979 1.00 0.00 H new ATOM 869 N TYR A 61 -3.716 0.094 4.648 1.00 0.00 N ATOM 870 CA TYR A 61 -2.394 0.709 4.709 1.00 0.00 C ATOM 871 C TYR A 61 -1.614 0.368 3.450 1.00 0.00 C ATOM 872 O TYR A 61 -1.785 -0.726 2.908 1.00 0.00 O ATOM 873 CB TYR A 61 -1.606 0.225 5.932 1.00 0.00 C ATOM 874 CG TYR A 61 -2.195 0.606 7.271 1.00 0.00 C ATOM 875 CD1 TYR A 61 -3.113 -0.239 7.918 1.00 0.00 C ATOM 876 CD2 TYR A 61 -1.799 1.808 7.881 1.00 0.00 C ATOM 877 CE1 TYR A 61 -3.619 0.108 9.179 1.00 0.00 C ATOM 878 CE2 TYR A 61 -2.309 2.170 9.140 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.207 1.304 9.804 1.00 0.00 C ATOM 880 OH TYR A 61 -3.710 1.643 11.021 1.00 0.00 O ATOM 0 H TYR A 61 -3.684 -0.900 4.421 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.530 1.787 4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.525 -0.861 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.593 0.623 5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.429 -1.156 7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.098 2.458 7.379 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.326 -0.542 9.673 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.016 3.104 9.597 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.322 2.495 11.310 1.00 0.00 H new ATOM 890 N VAL A 62 -0.747 1.287 3.027 1.00 0.00 N ATOM 891 CA VAL A 62 0.104 1.175 1.852 1.00 0.00 C ATOM 892 C VAL A 62 1.435 1.822 2.203 1.00 0.00 C ATOM 893 O VAL A 62 1.447 2.954 2.684 1.00 0.00 O ATOM 894 CB VAL A 62 -0.556 1.871 0.651 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.360 1.858 -0.584 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.860 1.147 0.278 1.00 0.00 C ATOM 0 H VAL A 62 -0.616 2.170 3.520 1.00 0.00 H new ATOM 0 HA VAL A 62 0.256 0.133 1.572 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.752 2.903 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.140 2.359 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.289 2.378 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.581 0.828 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.322 1.646 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.640 0.112 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.544 1.169 1.126 1.00 0.00 H new ATOM 906 N ASP A 63 2.537 1.093 2.010 1.00 0.00 N ATOM 907 CA ASP A 63 3.920 1.472 2.350 1.00 0.00 C ATOM 908 C ASP A 63 4.127 1.671 3.863 1.00 0.00 C ATOM 909 O ASP A 63 5.251 1.844 4.328 1.00 0.00 O ATOM 910 CB ASP A 63 4.344 2.707 1.528 1.00 0.00 C ATOM 911 CG ASP A 63 5.860 2.861 1.362 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.533 1.844 1.073 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.353 4.008 1.420 1.00 0.00 O ATOM 0 H ASP A 63 2.490 0.166 1.587 1.00 0.00 H new ATOM 0 HA ASP A 63 4.573 0.642 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.886 2.647 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.950 3.602 2.009 1.00 0.00 H new ATOM 918 N GLY A 64 3.044 1.558 4.638 1.00 0.00 N ATOM 919 CA GLY A 64 2.928 1.744 6.072 1.00 0.00 C ATOM 920 C GLY A 64 1.842 2.761 6.430 1.00 0.00 C ATOM 921 O GLY A 64 1.384 2.783 7.573 1.00 0.00 O ATOM 0 H GLY A 64 2.144 1.309 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.700 0.789 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.885 2.078 6.473 1.00 0.00 H new ATOM 925 N ILE A 65 1.391 3.587 5.478 1.00 0.00 N ATOM 926 CA ILE A 65 0.572 4.760 5.732 1.00 0.00 C ATOM 927 C ILE A 65 -0.892 4.404 5.457 1.00 0.00 C ATOM 928 O ILE A 65 -1.194 3.759 4.449 1.00 0.00 O ATOM 929 CB ILE A 65 1.078 5.895 4.813 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.550 6.301 5.099 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.246 7.176 5.013 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.660 5.345 4.646 1.00 0.00 C ATOM 0 H ILE A 65 1.595 3.447 4.488 1.00 0.00 H new ATOM 0 HA ILE A 65 0.643 5.093 6.767 1.00 0.00 H new ATOM 0 HB ILE A 65 0.989 5.496 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.728 7.267 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.653 6.448 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.621 7.960 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.798 6.972 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.325 7.503 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.631 5.762 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.532 4.380 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.607 5.212 3.565 1.00 0.00 H new ATOM 944 N PRO A 66 -1.816 4.797 6.348 1.00 0.00 N ATOM 945 CA PRO A 66 -3.222 4.476 6.231 1.00 0.00 C ATOM 946 C PRO A 66 -3.851 5.304 5.121 1.00 0.00 C ATOM 947 O PRO A 66 -3.911 6.535 5.184 1.00 0.00 O ATOM 948 CB PRO A 66 -3.864 4.763 7.584 1.00 0.00 C ATOM 949 CG PRO A 66 -2.883 5.708 8.263 1.00 0.00 C ATOM 950 CD PRO A 66 -1.547 5.469 7.599 1.00 0.00 C ATOM 0 HA PRO A 66 -3.372 3.429 5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.846 5.221 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.003 3.849 8.162 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.196 6.745 8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.828 5.510 9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.027 6.411 7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.903 4.860 8.234 1.00 0.00 H new ATOM 958 N VAL A 67 -4.368 4.613 4.114 1.00 0.00 N ATOM 959 CA VAL A 67 -5.125 5.214 3.024 1.00 0.00 C ATOM 960 C VAL A 67 -6.580 5.485 3.446 1.00 0.00 C ATOM 961 O VAL A 67 -7.337 6.130 2.720 1.00 0.00 O ATOM 962 CB VAL A 67 -5.009 4.324 1.773 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.526 4.074 1.441 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.710 2.961 1.862 1.00 0.00 C ATOM 0 H VAL A 67 -4.271 3.601 4.030 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.706 6.188 2.773 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.522 4.886 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.453 3.444 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.030 5.026 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.044 3.575 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.566 2.416 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.287 2.387 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.776 3.111 2.034 1.00 0.00 H new ATOM 974 N ALA A 68 -6.971 5.014 4.635 1.00 0.00 N ATOM 975 CA ALA A 68 -8.328 5.086 5.144 1.00 0.00 C ATOM 976 C ALA A 68 -8.739 6.549 5.334 1.00 0.00 C ATOM 977 O ALA A 68 -8.121 7.291 6.108 1.00 0.00 O ATOM 978 CB ALA A 68 -8.410 4.293 6.446 1.00 0.00 C ATOM 0 H ALA A 68 -6.326 4.560 5.282 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.026 4.646 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.426 4.340 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.142 3.254 6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.720 4.718 7.175 1.00 0.00 H new ATOM 984 N GLY A 69 -9.773 6.969 4.608 1.00 0.00 N ATOM 985 CA GLY A 69 -10.300 8.327 4.625 1.00 0.00 C ATOM 986 C GLY A 69 -9.599 9.266 3.645 1.00 0.00 C ATOM 987 O GLY A 69 -10.076 10.380 3.436 1.00 0.00 O ATOM 0 H GLY A 69 -10.281 6.353 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.364 8.298 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.207 8.732 5.633 1.00 0.00 H new ATOM 991 N LYS A 70 -8.485 8.855 3.037 1.00 0.00 N ATOM 992 CA LYS A 70 -7.795 9.606 1.992 1.00 0.00 C ATOM 993 C LYS A 70 -8.541 9.410 0.674 1.00 0.00 C ATOM 994 O LYS A 70 -9.630 8.827 0.640 1.00 0.00 O ATOM 995 CB LYS A 70 -6.326 9.145 1.905 1.00 0.00 C ATOM 996 CG LYS A 70 -5.649 9.017 3.279 1.00 0.00 C ATOM 997 CD LYS A 70 -5.588 10.342 4.043 1.00 0.00 C ATOM 998 CE LYS A 70 -4.842 10.103 5.356 1.00 0.00 C ATOM 999 NZ LYS A 70 -5.205 11.101 6.377 1.00 0.00 N ATOM 0 H LYS A 70 -8.029 7.971 3.264 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.785 10.671 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.284 8.182 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.765 9.853 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.190 8.284 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.637 8.635 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.078 11.100 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.594 10.714 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.069 9.103 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.768 10.140 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.680 10.908 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.965 12.053 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.226 11.048 6.566 1.00 0.00 H new ATOM 1013 N THR A 71 -7.964 9.899 -0.412 1.00 0.00 N ATOM 1014 CA THR A 71 -8.432 9.675 -1.769 1.00 0.00 C ATOM 1015 C THR A 71 -7.580 8.584 -2.428 1.00 0.00 C ATOM 1016 O THR A 71 -6.540 8.186 -1.905 1.00 0.00 O ATOM 1017 CB THR A 71 -8.366 11.012 -2.525 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.091 11.624 -2.398 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.415 11.987 -1.991 1.00 0.00 C ATOM 0 H THR A 71 -7.128 10.483 -0.371 1.00 0.00 H new ATOM 0 HA THR A 71 -9.464 9.325 -1.783 1.00 0.00 H new ATOM 0 HB THR A 71 -8.556 10.787 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.084 12.470 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.351 12.927 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.409 11.559 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.234 12.172 -0.932 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.979 8.138 -3.617 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.199 7.287 -4.503 1.00 0.00 C ATOM 1029 C HIS A 72 -5.809 7.882 -4.701 1.00 0.00 C ATOM 1030 O HIS A 72 -4.810 7.210 -4.449 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.980 7.123 -5.815 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.162 6.714 -7.011 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.844 5.433 -7.396 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.650 7.569 -7.944 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.167 5.518 -8.556 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.025 6.802 -8.927 1.00 0.00 N ATOM 0 H HIS A 72 -8.894 8.372 -4.003 1.00 0.00 H new ATOM 0 HA HIS A 72 -7.047 6.296 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.762 6.380 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.476 8.066 -6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.717 8.647 -7.924 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.790 4.672 -9.112 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.553 7.147 -9.763 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.716 9.152 -5.113 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.444 9.751 -5.489 1.00 0.00 C ATOM 1046 C ARG A 73 -3.457 9.835 -4.330 1.00 0.00 C ATOM 1047 O ARG A 73 -2.251 9.859 -4.566 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.716 11.137 -6.075 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.619 11.586 -7.036 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.586 10.771 -8.340 1.00 0.00 C ATOM 1051 NE ARG A 73 -2.675 11.375 -9.322 1.00 0.00 N ATOM 1052 CZ ARG A 73 -2.786 11.306 -10.652 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -3.669 10.495 -11.233 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -2.015 12.072 -11.406 1.00 0.00 N ATOM 0 H ARG A 73 -6.515 9.782 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.971 9.108 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.672 11.126 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.804 11.861 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.764 12.639 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.653 11.503 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.269 9.750 -8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.590 10.712 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.881 11.898 -8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.278 9.910 -10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.736 10.459 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.345 12.706 -10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.090 12.028 -12.422 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.941 9.852 -3.090 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.104 9.710 -1.899 1.00 0.00 C ATOM 1070 C TYR A 74 -2.215 8.469 -2.022 1.00 0.00 C ATOM 1071 O TYR A 74 -1.005 8.516 -1.819 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.990 9.621 -0.662 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.228 9.729 0.638 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.719 8.574 1.258 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.089 10.979 1.262 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.086 8.669 2.509 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.453 11.079 2.508 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.954 9.922 3.149 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.408 10.008 4.393 1.00 0.00 O ATOM 0 H TYR A 74 -4.933 9.966 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.456 10.582 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.737 10.414 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.530 8.674 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.815 7.614 0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.473 11.866 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.698 7.780 2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.344 12.044 2.980 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.394 10.945 4.680 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.823 7.343 -2.382 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.167 6.051 -2.494 1.00 0.00 C ATOM 1091 C VAL A 75 -1.251 6.032 -3.711 1.00 0.00 C ATOM 1092 O VAL A 75 -0.175 5.450 -3.666 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.244 4.954 -2.616 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.589 3.599 -2.356 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.399 5.179 -1.632 1.00 0.00 C ATOM 0 H VAL A 75 -3.816 7.307 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.560 5.868 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.666 4.987 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.338 2.811 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.801 3.429 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.160 3.588 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.137 4.385 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.015 5.170 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.867 6.142 -1.835 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.647 6.666 -4.812 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.833 6.705 -6.024 1.00 0.00 C ATOM 1107 C ILE A 76 0.484 7.462 -5.757 1.00 0.00 C ATOM 1108 O ILE A 76 1.511 7.155 -6.370 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.692 7.279 -7.174 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -3.022 6.519 -7.377 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.968 7.299 -8.521 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.896 5.019 -7.676 1.00 0.00 C ATOM 0 H ILE A 76 -2.534 7.164 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.523 5.707 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.894 8.300 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.629 6.642 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.566 6.989 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.628 7.714 -9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.072 7.915 -8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.687 6.283 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.889 4.588 -7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.322 4.878 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.387 4.525 -6.849 1.00 0.00 H new ATOM 1124 N ASP A 77 0.485 8.408 -4.815 1.00 0.00 N ATOM 1125 CA ASP A 77 1.675 9.067 -4.274 1.00 0.00 C ATOM 1126 C ASP A 77 2.506 8.078 -3.452 1.00 0.00 C ATOM 1127 O ASP A 77 3.726 8.031 -3.610 1.00 0.00 O ATOM 1128 CB ASP A 77 1.236 10.244 -3.378 1.00 0.00 C ATOM 1129 CG ASP A 77 1.586 11.606 -3.964 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.701 12.110 -3.748 1.00 0.00 O ATOM 1131 OD2 ASP A 77 0.693 12.242 -4.578 1.00 0.00 O ATOM 0 H ASP A 77 -0.378 8.749 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 77 2.286 9.434 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.159 10.190 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.708 10.144 -2.400 1.00 0.00 H new ATOM 1136 N LEU A 78 1.868 7.282 -2.580 1.00 0.00 N ATOM 1137 CA LEU A 78 2.552 6.272 -1.766 1.00 0.00 C ATOM 1138 C LEU A 78 3.282 5.273 -2.648 1.00 0.00 C ATOM 1139 O LEU A 78 4.466 5.007 -2.448 1.00 0.00 O ATOM 1140 CB LEU A 78 1.579 5.489 -0.862 1.00 0.00 C ATOM 1141 CG LEU A 78 1.354 5.984 0.567 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.647 6.404 1.266 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.368 7.133 0.698 1.00 0.00 C ATOM 0 H LEU A 78 0.861 7.323 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 78 3.257 6.817 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.610 5.464 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.935 4.460 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 78 0.927 5.107 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.420 6.745 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.327 5.554 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.117 7.213 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.274 7.414 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.726 7.987 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.605 6.823 0.318 1.00 0.00 H new ATOM 1155 N MET A 79 2.589 4.730 -3.649 1.00 0.00 N ATOM 1156 CA MET A 79 3.165 3.772 -4.583 1.00 0.00 C ATOM 1157 C MET A 79 4.390 4.334 -5.312 1.00 0.00 C ATOM 1158 O MET A 79 5.173 3.555 -5.864 1.00 0.00 O ATOM 1159 CB MET A 79 2.109 3.326 -5.606 1.00 0.00 C ATOM 1160 CG MET A 79 0.919 2.585 -4.986 1.00 0.00 C ATOM 1161 SD MET A 79 1.303 1.213 -3.868 1.00 0.00 S ATOM 1162 CE MET A 79 2.296 0.150 -4.941 1.00 0.00 C ATOM 0 H MET A 79 1.609 4.945 -3.833 1.00 0.00 H new ATOM 0 HA MET A 79 3.496 2.914 -3.998 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.741 4.202 -6.139 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.583 2.679 -6.344 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.315 3.309 -4.440 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.299 2.200 -5.796 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.352 -0.850 -4.511 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.835 0.096 -5.927 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.301 0.562 -5.032 1.00 0.00 H new ATOM 1172 N HIS A 80 4.571 5.658 -5.366 1.00 0.00 N ATOM 1173 CA HIS A 80 5.786 6.246 -5.900 1.00 0.00 C ATOM 1174 C HIS A 80 6.934 6.140 -4.899 1.00 0.00 C ATOM 1175 O HIS A 80 8.011 5.688 -5.292 1.00 0.00 O ATOM 1176 CB HIS A 80 5.540 7.678 -6.400 1.00 0.00 C ATOM 1177 CG HIS A 80 5.815 7.802 -7.879 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.892 7.285 -8.575 1.00 0.00 N ATOM 1179 CD2 HIS A 80 4.974 8.377 -8.787 1.00 0.00 C ATOM 1180 CE1 HIS A 80 6.684 7.514 -9.881 1.00 0.00 C ATOM 1181 NE2 HIS A 80 5.532 8.183 -10.057 1.00 0.00 N ATOM 0 H HIS A 80 3.883 6.338 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 80 6.093 5.673 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.508 7.964 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.178 8.371 -5.851 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.048 8.888 -8.567 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.347 7.205 -10.676 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.139 8.491 -10.946 1.00 0.00 H new ATOM 1189 N HIS A 81 6.723 6.499 -3.633 1.00 0.00 N ATOM 1190 CA HIS A 81 7.719 6.341 -2.581 1.00 0.00 C ATOM 1191 C HIS A 81 8.138 4.882 -2.436 1.00 0.00 C ATOM 1192 O HIS A 81 9.328 4.575 -2.471 1.00 0.00 O ATOM 1193 CB HIS A 81 7.160 6.902 -1.273 1.00 0.00 C ATOM 1194 CG HIS A 81 7.602 8.329 -1.102 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.856 8.730 -0.707 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.910 9.442 -1.494 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.920 10.062 -0.851 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.765 10.541 -1.341 1.00 0.00 N ATOM 0 H HIS A 81 5.848 6.911 -3.309 1.00 0.00 H new ATOM 0 HA HIS A 81 8.617 6.899 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.071 6.847 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.505 6.301 -0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.892 9.469 -1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.781 10.666 -0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.552 11.514 -1.559 1.00 0.00 H new ATOM 1206 N ALA A 82 7.171 3.971 -2.393 1.00 0.00 N ATOM 1207 CA ALA A 82 7.413 2.546 -2.276 1.00 0.00 C ATOM 1208 C ALA A 82 8.302 2.024 -3.418 1.00 0.00 C ATOM 1209 O ALA A 82 9.191 1.196 -3.215 1.00 0.00 O ATOM 1210 CB ALA A 82 6.054 1.861 -2.250 1.00 0.00 C ATOM 0 H ALA A 82 6.181 4.212 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 82 7.961 2.326 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.191 0.783 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.480 2.224 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.516 2.085 -3.171 1.00 0.00 H new ATOM 1216 N ALA A 83 8.124 2.532 -4.642 1.00 0.00 N ATOM 1217 CA ALA A 83 8.988 2.168 -5.761 1.00 0.00 C ATOM 1218 C ALA A 83 10.431 2.703 -5.634 1.00 0.00 C ATOM 1219 O ALA A 83 11.307 2.249 -6.372 1.00 0.00 O ATOM 1220 CB ALA A 83 8.340 2.539 -7.099 1.00 0.00 C ATOM 0 H ALA A 83 7.388 3.197 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 83 9.092 1.083 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.005 2.257 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.392 2.010 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.161 3.614 -7.131 1.00 0.00 H new ATOM 1226 N ARG A 84 10.717 3.651 -4.734 1.00 0.00 N ATOM 1227 CA ARG A 84 12.090 4.001 -4.340 1.00 0.00 C ATOM 1228 C ARG A 84 12.594 3.013 -3.297 1.00 0.00 C ATOM 1229 O ARG A 84 13.710 2.522 -3.414 1.00 0.00 O ATOM 1230 CB ARG A 84 12.183 5.420 -3.770 1.00 0.00 C ATOM 1231 CG ARG A 84 11.545 6.430 -4.718 1.00 0.00 C ATOM 1232 CD ARG A 84 11.971 7.853 -4.373 1.00 0.00 C ATOM 1233 NE ARG A 84 11.173 8.834 -5.124 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.148 9.006 -6.448 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.005 8.360 -7.227 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.200 9.762 -6.985 1.00 0.00 N ATOM 0 H ARG A 84 10.002 4.199 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 84 12.706 3.956 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.686 5.460 -2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.228 5.681 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.831 6.200 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.459 6.349 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.852 8.024 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.028 7.986 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 84 10.574 9.450 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.690 7.726 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.979 8.497 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.501 10.204 -6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.170 9.901 -7.995 1.00 0.00 H new ATOM 1250 N ASN A 85 11.749 2.684 -2.317 1.00 0.00 N ATOM 1251 CA ASN A 85 12.051 1.748 -1.236 1.00 0.00 C ATOM 1252 C ASN A 85 12.308 0.335 -1.757 1.00 0.00 C ATOM 1253 O ASN A 85 12.859 -0.486 -1.027 1.00 0.00 O ATOM 1254 CB ASN A 85 10.893 1.704 -0.221 1.00 0.00 C ATOM 1255 CG ASN A 85 10.713 2.997 0.564 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.683 3.711 0.806 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.507 3.327 0.999 1.00 0.00 N ATOM 0 H ASN A 85 10.809 3.074 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 85 12.959 2.108 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.967 1.479 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.067 0.886 0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.376 4.181 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.708 2.727 0.792 1.00 0.00 H new ATOM 1264 N GLY A 86 11.894 0.044 -2.994 1.00 0.00 N ATOM 1265 CA GLY A 86 12.078 -1.235 -3.655 1.00 0.00 C ATOM 1266 C GLY A 86 11.309 -2.357 -2.972 1.00 0.00 C ATOM 1267 O GLY A 86 11.627 -3.533 -3.147 1.00 0.00 O ATOM 0 H GLY A 86 11.405 0.723 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.753 -1.155 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.139 -1.483 -3.671 1.00 0.00 H new ATOM 1271 N GLN A 87 10.270 -2.002 -2.221 1.00 0.00 N ATOM 1272 CA GLN A 87 9.262 -2.894 -1.684 1.00 0.00 C ATOM 1273 C GLN A 87 8.025 -2.048 -1.407 1.00 0.00 C ATOM 1274 O GLN A 87 8.102 -0.816 -1.393 1.00 0.00 O ATOM 1275 CB GLN A 87 9.773 -3.575 -0.402 1.00 0.00 C ATOM 1276 CG GLN A 87 10.004 -2.601 0.760 1.00 0.00 C ATOM 1277 CD GLN A 87 10.788 -3.242 1.894 1.00 0.00 C ATOM 1278 OE1 GLN A 87 10.221 -3.720 2.871 1.00 0.00 O ATOM 1279 NE2 GLN A 87 12.108 -3.222 1.835 1.00 0.00 N ATOM 0 H GLN A 87 10.105 -1.030 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 87 9.026 -3.691 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.054 -4.333 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.707 -4.092 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.542 -1.725 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.043 -2.251 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.576 -2.824 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.659 -3.605 2.603 1.00 0.00 H new ATOM 1288 N VAL A 88 6.901 -2.684 -1.127 1.00 0.00 N ATOM 1289 CA VAL A 88 5.750 -2.041 -0.532 1.00 0.00 C ATOM 1290 C VAL A 88 5.196 -3.016 0.499 1.00 0.00 C ATOM 1291 O VAL A 88 5.489 -4.216 0.473 1.00 0.00 O ATOM 1292 CB VAL A 88 4.766 -1.613 -1.648 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.092 -2.787 -2.364 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.703 -0.621 -1.158 1.00 0.00 C ATOM 0 H VAL A 88 6.764 -3.678 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 88 5.984 -1.113 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 88 5.399 -1.108 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.418 -2.407 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.852 -3.415 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.525 -3.376 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.043 -0.358 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.120 -1.078 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.191 0.279 -0.783 1.00 0.00 H new ATOM 1304 N ASN A 89 4.360 -2.490 1.384 1.00 0.00 N ATOM 1305 CA ASN A 89 3.514 -3.267 2.264 1.00 0.00 C ATOM 1306 C ASN A 89 2.096 -2.826 1.962 1.00 0.00 C ATOM 1307 O ASN A 89 1.874 -1.638 1.720 1.00 0.00 O ATOM 1308 CB ASN A 89 3.862 -2.980 3.737 1.00 0.00 C ATOM 1309 CG ASN A 89 4.141 -4.241 4.543 1.00 0.00 C ATOM 1310 OD1 ASN A 89 4.033 -5.364 4.062 1.00 0.00 O ATOM 1311 ND2 ASN A 89 4.505 -4.106 5.798 1.00 0.00 N ATOM 0 H ASN A 89 4.253 -1.483 1.509 1.00 0.00 H new ATOM 0 HA ASN A 89 3.646 -4.338 2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.736 -2.330 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.038 -2.436 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.696 -4.932 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.597 -3.175 6.205 1.00 0.00 H new ATOM 1318 N LEU A 90 1.148 -3.751 1.937 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.238 -3.517 1.578 1.00 0.00 C ATOM 1320 C LEU A 90 -1.037 -4.291 2.592 1.00 0.00 C ATOM 1321 O LEU A 90 -1.044 -5.521 2.551 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.567 -4.013 0.159 1.00 0.00 C ATOM 1323 CG LEU A 90 0.355 -3.474 -0.951 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.323 -4.376 -2.191 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.060 -2.014 -1.269 1.00 0.00 C ATOM 0 H LEU A 90 1.334 -4.725 2.177 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.463 -2.451 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.521 -5.102 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.594 -3.736 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 90 1.379 -3.500 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.984 -3.967 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.656 -5.378 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.694 -4.424 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.731 -1.670 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.973 -1.916 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.211 -1.409 -0.375 1.00 0.00 H new ATOM 1337 N THR A 91 -1.667 -3.605 3.526 1.00 0.00 N ATOM 1338 CA THR A 91 -2.539 -4.233 4.495 1.00 0.00 C ATOM 1339 C THR A 91 -3.959 -4.062 3.951 1.00 0.00 C ATOM 1340 O THR A 91 -4.436 -2.928 3.861 1.00 0.00 O ATOM 1341 CB THR A 91 -2.326 -3.543 5.853 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.957 -3.608 6.215 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.166 -4.094 7.013 1.00 0.00 C ATOM 0 H THR A 91 -1.587 -2.594 3.633 1.00 0.00 H new ATOM 0 HA THR A 91 -2.340 -5.294 4.647 1.00 0.00 H new ATOM 0 HB THR A 91 -2.662 -2.518 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.826 -3.166 7.080 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.939 -3.538 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.225 -3.988 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.931 -5.148 7.164 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.616 -5.154 3.557 1.00 0.00 N ATOM 1352 CA VAL A 92 -6.039 -5.182 3.233 1.00 0.00 C ATOM 1353 C VAL A 92 -6.798 -5.735 4.447 1.00 0.00 C ATOM 1354 O VAL A 92 -6.193 -6.331 5.343 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.312 -5.993 1.939 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.662 -5.366 0.694 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.876 -7.459 2.035 1.00 0.00 C ATOM 0 H VAL A 92 -4.162 -6.062 3.453 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.394 -4.173 3.024 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.396 -5.961 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.887 -5.977 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.056 -4.360 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.582 -5.316 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.096 -7.966 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.805 -7.508 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.416 -7.947 2.846 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.122 -5.573 4.513 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.950 -6.163 5.562 1.00 0.00 C ATOM 1369 C ARG A 93 -10.347 -6.442 5.052 1.00 0.00 C ATOM 1370 O ARG A 93 -10.855 -5.722 4.187 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.008 -5.234 6.783 1.00 0.00 C ATOM 1372 CG ARG A 93 -9.982 -4.068 6.601 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.061 -3.116 7.808 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.410 -1.730 7.435 1.00 0.00 N ATOM 1375 CZ ARG A 93 -11.344 -1.349 6.554 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.313 -2.176 6.187 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -11.279 -0.141 6.015 1.00 0.00 N ATOM 0 H ARG A 93 -8.651 -5.025 3.835 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.498 -7.109 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.302 -5.812 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.011 -4.840 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.687 -3.497 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.976 -4.468 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.803 -3.493 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.102 -3.115 8.325 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.886 -0.986 7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.355 -3.118 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.017 -1.871 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.521 0.492 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.987 0.156 5.343 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.005 -7.446 5.628 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.345 -7.857 5.221 1.00 0.00 C ATOM 1393 C ARG A 94 -13.048 -8.449 6.432 1.00 0.00 C ATOM 1394 O ARG A 94 -12.428 -9.218 7.173 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.231 -8.899 4.091 1.00 0.00 C ATOM 1396 CG ARG A 94 -11.496 -8.348 2.853 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.308 -9.410 1.779 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.522 -9.717 1.019 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.789 -10.899 0.457 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -12.127 -11.997 0.820 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -13.735 -10.960 -0.468 1.00 0.00 N ATOM 0 H ARG A 94 -10.621 -7.999 6.394 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.919 -7.008 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.703 -9.777 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.229 -9.227 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.059 -7.511 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.523 -7.960 3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.534 -9.078 1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.945 -10.325 2.248 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.213 -8.975 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.404 -11.943 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.343 -12.892 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.241 -10.116 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.957 -11.851 -0.912 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.319 -8.099 6.663 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.178 -8.818 7.603 1.00 0.00 C ATOM 1417 C LYS A 95 -15.088 -10.303 7.336 1.00 0.00 C ATOM 1418 O LYS A 95 -15.214 -10.754 6.193 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.628 -8.346 7.537 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.079 -7.653 8.831 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.426 -8.182 9.324 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.398 -7.053 9.681 1.00 0.00 C ATOM 1423 NZ LYS A 95 -18.987 -6.302 10.880 1.00 0.00 N ATOM 0 H LYS A 95 -14.777 -7.312 6.204 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.824 -8.606 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.745 -7.658 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.276 -9.200 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.326 -7.803 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.152 -6.579 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.871 -8.811 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.268 -8.813 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.476 -6.367 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.391 -7.473 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.680 -5.552 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.938 -6.947 11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.052 -5.876 10.719 1.00 0.00 H new