USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 LYS NZ :NH3+ 150:sc= -0.72 (180deg=-3.42!) USER MOD Set 1.2: A 87 GLN : amide:sc= -9.12! C(o=-9.8!,f=-13!) USER MOD Single : A 14 SER OG : rot -18:sc= 0.497 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -102:sc= -1.4! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 30:sc= -1.64 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 31 HIS : no HD1:sc= -2.3 X(o=-2.3,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= -0.34 (180deg=-2.18!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 120:sc= 1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 139:sc= -0.169 (180deg=-1.47!) USER MOD Single : A 55 ASN : amide:sc= -2.3! C(o=-2.3!,f=-9.5!) USER MOD Single : A 56 THR OG1 : rot -120:sc= -2.32! USER MOD Single : A 58 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= -3.54! (180deg=-3.92!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -2.75! C(o=-2.8!,f=-8.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.512 -10.654 5.014 1.00 0.00 N ATOM 100 CA VAL A 7 -2.482 -9.841 3.758 1.00 0.00 C ATOM 101 C VAL A 7 -3.429 -8.639 3.888 1.00 0.00 C ATOM 102 O VAL A 7 -3.469 -7.980 4.908 1.00 0.00 O ATOM 103 CB VAL A 7 -2.965 -10.748 2.624 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.360 -10.255 1.312 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.549 -12.198 2.858 1.00 0.00 C ATOM 0 HA VAL A 7 -1.476 -9.468 3.565 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.054 -10.710 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.696 -10.893 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.679 -9.229 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.273 -10.291 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.907 -12.817 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.462 -12.260 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.980 -12.554 3.794 1.00 0.00 H new ATOM 115 N ILE A 8 -4.174 -8.350 2.847 1.00 0.00 N ATOM 116 CA ILE A 8 -5.120 -7.188 2.868 1.00 0.00 C ATOM 117 C ILE A 8 -5.688 -6.970 4.275 1.00 0.00 C ATOM 118 O ILE A 8 -6.240 -7.868 4.878 1.00 0.00 O ATOM 119 CB ILE A 8 -6.268 -7.530 1.898 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.771 -8.348 0.706 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.869 -6.229 1.367 1.00 0.00 C ATOM 122 CD1 ILE A 8 -4.540 -7.676 0.109 1.00 0.00 C ATOM 0 H ILE A 8 -4.167 -8.876 1.973 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.603 -6.274 2.575 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.007 -8.118 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.528 -9.362 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.556 -8.429 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.683 -6.458 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.253 -5.639 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.101 -5.660 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.184 -8.258 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.799 -6.670 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.755 -7.618 0.863 1.00 0.00 H new ATOM 134 N LEU A 9 -5.563 -5.780 4.795 1.00 0.00 N ATOM 135 CA LEU A 9 -6.101 -5.496 6.157 1.00 0.00 C ATOM 136 C LEU A 9 -7.236 -4.472 6.062 1.00 0.00 C ATOM 137 O LEU A 9 -8.375 -4.818 5.824 1.00 0.00 O ATOM 138 CB LEU A 9 -4.921 -4.924 6.942 1.00 0.00 C ATOM 139 CG LEU A 9 -4.092 -6.067 7.521 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.605 -5.725 7.411 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.460 -6.268 8.994 1.00 0.00 C ATOM 0 H LEU A 9 -5.111 -4.990 4.335 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.509 -6.385 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.303 -4.306 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.282 -4.280 7.744 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.297 -6.982 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.012 -6.541 7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.342 -5.580 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.400 -4.810 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.868 -7.084 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.254 -5.353 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.520 -6.511 9.074 1.00 0.00 H new ATOM 153 N ALA A 10 -6.932 -3.214 6.238 1.00 0.00 N ATOM 154 CA ALA A 10 -7.991 -2.169 6.147 1.00 0.00 C ATOM 155 C ALA A 10 -7.803 -1.347 4.870 1.00 0.00 C ATOM 156 O ALA A 10 -6.705 -1.237 4.360 1.00 0.00 O ATOM 157 CB ALA A 10 -7.793 -1.293 7.385 1.00 0.00 C ATOM 0 H ALA A 10 -5.995 -2.865 6.441 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.994 -2.595 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.538 -0.497 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.905 -1.901 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.795 -0.856 7.365 1.00 0.00 H new ATOM 163 N PRO A 11 -8.884 -0.795 4.396 1.00 0.00 N ATOM 164 CA PRO A 11 -8.837 0.031 3.166 1.00 0.00 C ATOM 165 C PRO A 11 -8.237 1.407 3.472 1.00 0.00 C ATOM 166 O PRO A 11 -8.234 1.855 4.601 1.00 0.00 O ATOM 167 CB PRO A 11 -10.302 0.159 2.767 1.00 0.00 C ATOM 168 CG PRO A 11 -11.073 -0.029 4.037 1.00 0.00 C ATOM 169 CD PRO A 11 -10.237 -0.888 4.952 1.00 0.00 C ATOM 0 HA PRO A 11 -8.221 -0.404 2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.506 1.134 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.575 -0.592 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.285 0.933 4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.033 -0.504 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.271 -0.526 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.592 -1.918 4.965 1.00 0.00 H new ATOM 177 N VAL A 12 -7.728 2.080 2.476 1.00 0.00 N ATOM 178 CA VAL A 12 -7.132 3.427 2.718 1.00 0.00 C ATOM 179 C VAL A 12 -8.093 4.518 2.236 1.00 0.00 C ATOM 180 O VAL A 12 -8.568 4.486 1.118 1.00 0.00 O ATOM 181 CB VAL A 12 -5.829 3.459 1.905 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.145 2.089 1.954 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.139 3.820 0.449 1.00 0.00 C ATOM 0 H VAL A 12 -7.699 1.758 1.509 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.944 3.605 3.777 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.163 4.208 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.222 2.122 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.915 1.834 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.810 1.335 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.213 3.842 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.812 3.075 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.613 4.801 0.410 1.00 0.00 H new ATOM 193 N LEU A 13 -8.379 5.482 3.060 1.00 0.00 N ATOM 194 CA LEU A 13 -9.303 6.567 2.630 1.00 0.00 C ATOM 195 C LEU A 13 -8.512 7.829 2.279 1.00 0.00 C ATOM 196 O LEU A 13 -7.914 8.456 3.131 1.00 0.00 O ATOM 197 CB LEU A 13 -10.214 6.816 3.828 1.00 0.00 C ATOM 198 CG LEU A 13 -11.099 5.589 4.069 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.710 5.127 2.743 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.254 4.459 4.661 1.00 0.00 C ATOM 0 H LEU A 13 -8.016 5.568 4.009 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.872 6.294 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.615 7.024 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.834 7.694 3.649 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.897 5.850 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.339 4.254 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.313 5.931 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.913 4.867 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.883 3.586 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.455 4.200 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.821 4.786 5.606 1.00 0.00 H new ATOM 212 N SER A 14 -8.506 8.208 1.030 1.00 0.00 N ATOM 213 CA SER A 14 -7.756 9.430 0.624 1.00 0.00 C ATOM 214 C SER A 14 -8.252 9.923 -0.737 1.00 0.00 C ATOM 215 O SER A 14 -8.588 9.141 -1.605 1.00 0.00 O ATOM 216 CB SER A 14 -6.296 8.987 0.535 1.00 0.00 C ATOM 217 OG SER A 14 -5.859 8.551 1.816 1.00 0.00 O ATOM 0 H SER A 14 -8.988 7.724 0.273 1.00 0.00 H new ATOM 0 HA SER A 14 -7.889 10.251 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.192 8.181 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.674 9.812 0.187 1.00 0.00 H new ATOM 0 HG SER A 14 -6.468 8.893 2.503 1.00 0.00 H new ATOM 223 N GLU A 15 -8.299 11.213 -0.932 1.00 0.00 N ATOM 224 CA GLU A 15 -8.773 11.752 -2.239 1.00 0.00 C ATOM 225 C GLU A 15 -8.172 10.941 -3.390 1.00 0.00 C ATOM 226 O GLU A 15 -8.873 10.473 -4.265 1.00 0.00 O ATOM 227 CB GLU A 15 -8.273 13.196 -2.279 1.00 0.00 C ATOM 228 CG GLU A 15 -9.168 14.069 -1.397 1.00 0.00 C ATOM 229 CD GLU A 15 -8.850 15.544 -1.649 1.00 0.00 C ATOM 230 OE1 GLU A 15 -8.084 15.818 -2.559 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.380 16.376 -0.930 1.00 0.00 O ATOM 0 H GLU A 15 -8.030 11.916 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.857 11.696 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.241 13.245 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.281 13.567 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.217 13.870 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.009 13.826 -0.346 1.00 0.00 H new ATOM 238 N LYS A 16 -6.878 10.770 -3.394 1.00 0.00 N ATOM 239 CA LYS A 16 -6.233 9.991 -4.484 1.00 0.00 C ATOM 240 C LYS A 16 -6.872 8.604 -4.591 1.00 0.00 C ATOM 241 O LYS A 16 -6.996 8.047 -5.664 1.00 0.00 O ATOM 242 CB LYS A 16 -4.764 9.875 -4.074 1.00 0.00 C ATOM 243 CG LYS A 16 -4.105 11.254 -4.145 1.00 0.00 C ATOM 244 CD LYS A 16 -2.636 11.141 -3.733 1.00 0.00 C ATOM 245 CE LYS A 16 -1.745 11.321 -4.963 1.00 0.00 C ATOM 246 NZ LYS A 16 -0.392 10.873 -4.528 1.00 0.00 N ATOM 0 H LYS A 16 -6.241 11.137 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.347 10.469 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.688 9.475 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.245 9.178 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.180 11.653 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.625 11.951 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.398 11.897 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.450 10.170 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.106 10.727 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.730 12.360 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.276 10.967 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.071 11.461 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.435 9.878 -4.228 1.00 0.00 H new ATOM 260 N ALA A 17 -7.281 8.042 -3.486 1.00 0.00 N ATOM 261 CA ALA A 17 -7.913 6.692 -3.525 1.00 0.00 C ATOM 262 C ALA A 17 -9.413 6.817 -3.805 1.00 0.00 C ATOM 263 O ALA A 17 -9.920 6.279 -4.767 1.00 0.00 O ATOM 264 CB ALA A 17 -7.679 6.099 -2.135 1.00 0.00 C ATOM 0 H ALA A 17 -7.205 8.459 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.492 6.066 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.117 5.102 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.608 6.034 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.145 6.737 -1.384 1.00 0.00 H new ATOM 270 N TYR A 18 -10.127 7.522 -2.971 1.00 0.00 N ATOM 271 CA TYR A 18 -11.592 7.673 -3.196 1.00 0.00 C ATOM 272 C TYR A 18 -11.872 8.013 -4.662 1.00 0.00 C ATOM 273 O TYR A 18 -12.893 7.648 -5.210 1.00 0.00 O ATOM 274 CB TYR A 18 -12.020 8.826 -2.287 1.00 0.00 C ATOM 275 CG TYR A 18 -12.551 8.275 -0.984 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.387 7.153 -0.988 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.204 8.885 0.227 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.877 6.639 0.219 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.695 8.372 1.434 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.531 7.249 1.431 1.00 0.00 C ATOM 281 OH TYR A 18 -14.014 6.745 2.620 1.00 0.00 O ATOM 0 H TYR A 18 -9.761 7.998 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.138 6.756 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.173 9.485 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.786 9.425 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.655 6.683 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.558 9.751 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.522 5.772 0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.428 8.843 2.368 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.762 7.298 2.930 1.00 0.00 H new ATOM 291 N ALA A 19 -10.971 8.707 -5.302 1.00 0.00 N ATOM 292 CA ALA A 19 -11.186 9.067 -6.734 1.00 0.00 C ATOM 293 C ALA A 19 -10.605 7.979 -7.643 1.00 0.00 C ATOM 294 O ALA A 19 -10.814 7.977 -8.840 1.00 0.00 O ATOM 295 CB ALA A 19 -10.442 10.387 -6.929 1.00 0.00 C ATOM 0 H ALA A 19 -10.096 9.040 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.243 9.158 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.553 10.718 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.856 11.141 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.385 10.245 -6.706 1.00 0.00 H new ATOM 301 N GLY A 20 -9.889 7.048 -7.075 1.00 0.00 N ATOM 302 CA GLY A 20 -9.298 5.947 -7.888 1.00 0.00 C ATOM 303 C GLY A 20 -10.044 4.662 -7.562 1.00 0.00 C ATOM 304 O GLY A 20 -10.310 3.844 -8.421 1.00 0.00 O ATOM 0 H GLY A 20 -9.687 7.002 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.379 6.174 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.237 5.837 -7.665 1.00 0.00 H new ATOM 308 N PHE A 21 -10.402 4.493 -6.323 1.00 0.00 N ATOM 309 CA PHE A 21 -11.153 3.280 -5.922 1.00 0.00 C ATOM 310 C PHE A 21 -12.576 3.370 -6.485 1.00 0.00 C ATOM 311 O PHE A 21 -13.291 2.391 -6.578 1.00 0.00 O ATOM 312 CB PHE A 21 -11.129 3.310 -4.381 1.00 0.00 C ATOM 313 CG PHE A 21 -12.472 3.727 -3.823 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.041 4.945 -4.210 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.145 2.893 -2.924 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.285 5.328 -3.698 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.386 3.276 -2.412 1.00 0.00 C ATOM 318 CZ PHE A 21 -14.958 4.494 -2.798 1.00 0.00 C ATOM 0 H PHE A 21 -10.204 5.149 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.731 2.348 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.863 2.324 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.359 4.002 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.520 5.589 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.705 1.953 -2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.726 6.267 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.905 2.632 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.918 4.790 -2.402 1.00 0.00 H new ATOM 328 N ALA A 22 -12.985 4.554 -6.849 1.00 0.00 N ATOM 329 CA ALA A 22 -14.349 4.749 -7.397 1.00 0.00 C ATOM 330 C ALA A 22 -14.551 3.891 -8.648 1.00 0.00 C ATOM 331 O ALA A 22 -15.663 3.611 -9.051 1.00 0.00 O ATOM 332 CB ALA A 22 -14.416 6.235 -7.746 1.00 0.00 C ATOM 0 H ALA A 22 -12.422 5.403 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.126 4.456 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.397 6.468 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.252 6.828 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.647 6.471 -8.481 1.00 0.00 H new ATOM 338 N GLU A 23 -13.480 3.475 -9.262 1.00 0.00 N ATOM 339 CA GLU A 23 -13.592 2.636 -10.490 1.00 0.00 C ATOM 340 C GLU A 23 -13.662 1.157 -10.107 1.00 0.00 C ATOM 341 O GLU A 23 -13.426 0.285 -10.918 1.00 0.00 O ATOM 342 CB GLU A 23 -12.311 2.920 -11.272 1.00 0.00 C ATOM 343 CG GLU A 23 -12.649 3.143 -12.748 1.00 0.00 C ATOM 344 CD GLU A 23 -12.622 4.642 -13.057 1.00 0.00 C ATOM 345 OE1 GLU A 23 -13.576 5.316 -12.704 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.648 5.089 -13.640 1.00 0.00 O ATOM 0 H GLU A 23 -12.526 3.680 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.487 2.861 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.813 3.800 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.618 2.085 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.933 2.618 -13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.633 2.732 -12.973 1.00 0.00 H new ATOM 353 N GLY A 24 -13.963 0.869 -8.871 1.00 0.00 N ATOM 354 CA GLY A 24 -14.021 -0.542 -8.431 1.00 0.00 C ATOM 355 C GLY A 24 -12.650 -0.944 -7.885 1.00 0.00 C ATOM 356 O GLY A 24 -12.422 -2.076 -7.509 1.00 0.00 O ATOM 0 H GLY A 24 -14.171 1.557 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.785 -0.667 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.299 -1.186 -9.265 1.00 0.00 H new ATOM 360 N LYS A 25 -11.736 -0.010 -7.838 1.00 0.00 N ATOM 361 CA LYS A 25 -10.374 -0.305 -7.318 1.00 0.00 C ATOM 362 C LYS A 25 -10.386 -0.227 -5.787 1.00 0.00 C ATOM 363 O LYS A 25 -10.983 0.659 -5.215 1.00 0.00 O ATOM 364 CB LYS A 25 -9.501 0.802 -7.917 1.00 0.00 C ATOM 365 CG LYS A 25 -9.166 0.458 -9.369 1.00 0.00 C ATOM 366 CD LYS A 25 -8.819 1.740 -10.129 1.00 0.00 C ATOM 367 CE LYS A 25 -8.508 1.400 -11.589 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.289 2.718 -12.250 1.00 0.00 N ATOM 0 H LYS A 25 -11.880 0.953 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.012 -1.299 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.023 1.757 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.584 0.911 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.327 -0.237 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.013 -0.039 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.651 2.442 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.961 2.228 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.624 0.767 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.332 0.857 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.070 2.570 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.149 3.296 -12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.495 3.209 -11.792 1.00 0.00 H new ATOM 382 N TYR A 26 -9.755 -1.147 -5.112 1.00 0.00 N ATOM 383 CA TYR A 26 -9.771 -1.092 -3.620 1.00 0.00 C ATOM 384 C TYR A 26 -8.355 -1.168 -3.039 1.00 0.00 C ATOM 385 O TYR A 26 -7.796 -2.233 -2.866 1.00 0.00 O ATOM 386 CB TYR A 26 -10.607 -2.298 -3.195 1.00 0.00 C ATOM 387 CG TYR A 26 -11.986 -2.176 -3.797 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.667 -0.953 -3.741 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.585 -3.281 -4.413 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.945 -0.837 -4.300 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.862 -3.164 -4.973 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.542 -1.943 -4.916 1.00 0.00 C ATOM 393 OH TYR A 26 -15.802 -1.828 -5.469 1.00 0.00 O ATOM 0 H TYR A 26 -9.236 -1.925 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.186 -0.153 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.132 -3.221 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.673 -2.346 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.206 -0.099 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.061 -4.225 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.470 0.106 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.323 -4.017 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.940 -0.909 -5.781 1.00 0.00 H new ATOM 403 N THR A 27 -7.782 -0.038 -2.727 1.00 0.00 N ATOM 404 CA THR A 27 -6.413 -0.002 -2.144 1.00 0.00 C ATOM 405 C THR A 27 -6.467 -0.425 -0.675 1.00 0.00 C ATOM 406 O THR A 27 -7.099 0.217 0.141 1.00 0.00 O ATOM 407 CB THR A 27 -5.983 1.462 -2.260 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.428 1.988 -3.503 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.460 1.562 -2.177 1.00 0.00 C ATOM 0 H THR A 27 -8.214 0.877 -2.854 1.00 0.00 H new ATOM 0 HA THR A 27 -5.721 -0.675 -2.650 1.00 0.00 H new ATOM 0 HB THR A 27 -6.424 2.034 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.155 2.926 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.159 2.606 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.121 1.161 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.013 0.990 -2.990 1.00 0.00 H new ATOM 417 N PHE A 28 -5.818 -1.499 -0.330 1.00 0.00 N ATOM 418 CA PHE A 28 -5.846 -1.957 1.089 1.00 0.00 C ATOM 419 C PHE A 28 -4.442 -1.916 1.688 1.00 0.00 C ATOM 420 O PHE A 28 -3.460 -1.878 0.979 1.00 0.00 O ATOM 421 CB PHE A 28 -6.357 -3.396 1.025 1.00 0.00 C ATOM 422 CG PHE A 28 -7.767 -3.443 1.550 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.996 -3.565 2.924 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.846 -3.353 0.663 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.308 -3.596 3.413 1.00 0.00 C ATOM 426 CE2 PHE A 28 -10.157 -3.386 1.151 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.388 -3.507 2.526 1.00 0.00 C ATOM 0 H PHE A 28 -5.270 -2.080 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.475 -1.324 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.326 -3.760 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.714 -4.050 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.162 -3.635 3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.667 -3.258 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.487 -3.689 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.990 -3.318 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.400 -3.532 2.903 1.00 0.00 H new ATOM 437 N TRP A 29 -4.337 -1.954 2.987 1.00 0.00 N ATOM 438 CA TRP A 29 -2.993 -1.947 3.622 1.00 0.00 C ATOM 439 C TRP A 29 -2.582 -3.395 3.832 1.00 0.00 C ATOM 440 O TRP A 29 -3.295 -4.165 4.444 1.00 0.00 O ATOM 441 CB TRP A 29 -3.171 -1.229 4.962 1.00 0.00 C ATOM 442 CG TRP A 29 -3.408 0.231 4.729 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.611 0.842 4.811 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.444 1.272 4.385 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.451 2.188 4.537 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.135 2.503 4.269 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.053 1.272 4.164 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.472 3.687 3.946 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.383 2.465 3.838 1.00 0.00 C ATOM 450 CH2 TRP A 29 -1.092 3.668 3.729 1.00 0.00 C ATOM 0 H TRP A 29 -5.124 -1.990 3.635 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.229 -1.449 3.025 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.011 -1.660 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.284 -1.368 5.580 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.546 0.357 5.052 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.213 2.866 4.533 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.497 0.350 4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.022 4.613 3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.684 2.453 3.671 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.572 4.581 3.477 1.00 0.00 H new ATOM 461 N VAL A 30 -1.474 -3.794 3.297 1.00 0.00 N ATOM 462 CA VAL A 30 -1.082 -5.203 3.436 1.00 0.00 C ATOM 463 C VAL A 30 0.427 -5.370 3.517 1.00 0.00 C ATOM 464 O VAL A 30 1.191 -4.467 3.240 1.00 0.00 O ATOM 465 CB VAL A 30 -1.620 -5.852 2.180 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.850 -5.353 0.956 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.462 -7.342 2.305 1.00 0.00 C ATOM 0 H VAL A 30 -0.827 -3.205 2.772 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.471 -5.645 4.353 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.672 -5.595 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.247 -5.827 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.959 -4.272 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.205 -5.604 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.846 -7.825 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.407 -7.587 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.019 -7.695 3.173 1.00 0.00 H new ATOM 477 N HIS A 31 0.846 -6.534 3.900 1.00 0.00 N ATOM 478 CA HIS A 31 2.302 -6.813 4.012 1.00 0.00 C ATOM 479 C HIS A 31 2.979 -6.637 2.650 1.00 0.00 C ATOM 480 O HIS A 31 2.432 -7.000 1.628 1.00 0.00 O ATOM 481 CB HIS A 31 2.394 -8.268 4.473 1.00 0.00 C ATOM 482 CG HIS A 31 3.281 -8.354 5.685 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.830 -9.552 6.115 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.724 -7.401 6.567 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.565 -9.290 7.211 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.535 -7.993 7.530 1.00 0.00 N ATOM 0 H HIS A 31 0.238 -7.316 4.144 1.00 0.00 H new ATOM 0 HA HIS A 31 2.800 -6.135 4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.401 -8.650 4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.793 -8.890 3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.480 -6.350 6.521 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.113 -10.037 7.766 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.005 -7.536 8.311 1.00 0.00 H new ATOM 494 N PRO A 32 4.156 -6.082 2.692 1.00 0.00 N ATOM 495 CA PRO A 32 4.942 -5.841 1.456 1.00 0.00 C ATOM 496 C PRO A 32 5.475 -7.159 0.903 1.00 0.00 C ATOM 497 O PRO A 32 6.630 -7.496 1.071 1.00 0.00 O ATOM 498 CB PRO A 32 6.084 -4.957 1.932 1.00 0.00 C ATOM 499 CG PRO A 32 6.227 -5.260 3.390 1.00 0.00 C ATOM 500 CD PRO A 32 4.859 -5.631 3.893 1.00 0.00 C ATOM 0 HA PRO A 32 4.358 -5.386 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.005 -5.176 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.862 -3.903 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.931 -6.077 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.615 -4.395 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.909 -6.417 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.358 -4.780 4.354 1.00 0.00 H new ATOM 508 N LYS A 33 4.638 -7.914 0.259 1.00 0.00 N ATOM 509 CA LYS A 33 5.088 -9.220 -0.292 1.00 0.00 C ATOM 510 C LYS A 33 3.919 -9.928 -0.971 1.00 0.00 C ATOM 511 O LYS A 33 4.083 -10.615 -1.959 1.00 0.00 O ATOM 512 CB LYS A 33 5.561 -10.019 0.926 1.00 0.00 C ATOM 513 CG LYS A 33 4.602 -9.791 2.101 1.00 0.00 C ATOM 514 CD LYS A 33 4.027 -11.131 2.563 1.00 0.00 C ATOM 515 CE LYS A 33 4.823 -11.642 3.766 1.00 0.00 C ATOM 516 NZ LYS A 33 5.898 -12.492 3.182 1.00 0.00 N ATOM 0 H LYS A 33 3.659 -7.685 0.089 1.00 0.00 H new ATOM 0 HA LYS A 33 5.875 -9.109 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.605 -11.080 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.570 -9.713 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.128 -9.307 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.795 -9.122 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.977 -11.015 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.070 -11.856 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.241 -10.817 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.190 -12.215 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.456 -12.920 3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.471 -13.243 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.518 -11.907 2.587 1.00 0.00 H new ATOM 530 N ALA A 34 2.739 -9.767 -0.442 1.00 0.00 N ATOM 531 CA ALA A 34 1.559 -10.434 -1.049 1.00 0.00 C ATOM 532 C ALA A 34 1.482 -10.101 -2.541 1.00 0.00 C ATOM 533 O ALA A 34 0.902 -9.109 -2.935 1.00 0.00 O ATOM 534 CB ALA A 34 0.351 -9.864 -0.307 1.00 0.00 C ATOM 0 H ALA A 34 2.543 -9.202 0.384 1.00 0.00 H new ATOM 0 HA ALA A 34 1.607 -11.520 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.562 -10.311 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.437 -10.091 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.315 -8.783 -0.446 1.00 0.00 H new ATOM 540 N THR A 35 2.065 -10.920 -3.371 1.00 0.00 N ATOM 541 CA THR A 35 2.030 -10.649 -4.839 1.00 0.00 C ATOM 542 C THR A 35 0.638 -10.170 -5.258 1.00 0.00 C ATOM 543 O THR A 35 -0.356 -10.520 -4.653 1.00 0.00 O ATOM 544 CB THR A 35 2.358 -11.989 -5.498 1.00 0.00 C ATOM 545 OG1 THR A 35 1.996 -13.047 -4.622 1.00 0.00 O ATOM 546 CG2 THR A 35 3.856 -12.061 -5.796 1.00 0.00 C ATOM 0 H THR A 35 2.565 -11.766 -3.098 1.00 0.00 H new ATOM 0 HA THR A 35 2.733 -9.869 -5.130 1.00 0.00 H new ATOM 0 HB THR A 35 1.800 -12.081 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.204 -13.907 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.088 -13.017 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.133 -11.249 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.417 -11.968 -4.866 1.00 0.00 H new ATOM 554 N LYS A 36 0.561 -9.371 -6.289 1.00 0.00 N ATOM 555 CA LYS A 36 -0.767 -8.871 -6.746 1.00 0.00 C ATOM 556 C LYS A 36 -1.794 -10.007 -6.717 1.00 0.00 C ATOM 557 O LYS A 36 -2.954 -9.801 -6.422 1.00 0.00 O ATOM 558 CB LYS A 36 -0.538 -8.386 -8.178 1.00 0.00 C ATOM 559 CG LYS A 36 0.213 -7.053 -8.153 1.00 0.00 C ATOM 560 CD LYS A 36 -0.687 -5.949 -8.716 1.00 0.00 C ATOM 561 CE LYS A 36 0.152 -4.704 -9.015 1.00 0.00 C ATOM 562 NZ LYS A 36 1.182 -5.160 -9.988 1.00 0.00 N ATOM 0 H LYS A 36 1.359 -9.044 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.154 -8.077 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.034 -9.127 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.493 -8.268 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.510 -6.810 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.127 -7.127 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.179 -6.295 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.473 -5.707 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.461 -3.906 -9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.612 -4.311 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.373 -4.401 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.058 -5.397 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.835 -6.001 -10.492 1.00 0.00 H new ATOM 576 N THR A 37 -1.374 -11.206 -7.017 1.00 0.00 N ATOM 577 CA THR A 37 -2.325 -12.353 -7.000 1.00 0.00 C ATOM 578 C THR A 37 -2.634 -12.759 -5.556 1.00 0.00 C ATOM 579 O THR A 37 -3.755 -13.075 -5.216 1.00 0.00 O ATOM 580 CB THR A 37 -1.605 -13.469 -7.745 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.772 -13.283 -9.144 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.170 -14.832 -7.339 1.00 0.00 C ATOM 0 H THR A 37 -0.415 -11.440 -7.273 1.00 0.00 H new ATOM 0 HA THR A 37 -3.281 -12.113 -7.465 1.00 0.00 H new ATOM 0 HB THR A 37 -0.545 -13.439 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.308 -13.999 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.645 -15.619 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.036 -14.977 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.232 -14.872 -7.580 1.00 0.00 H new ATOM 590 N GLU A 38 -1.648 -12.749 -4.700 1.00 0.00 N ATOM 591 CA GLU A 38 -1.896 -13.130 -3.280 1.00 0.00 C ATOM 592 C GLU A 38 -3.005 -12.251 -2.701 1.00 0.00 C ATOM 593 O GLU A 38 -3.897 -12.721 -2.022 1.00 0.00 O ATOM 594 CB GLU A 38 -0.571 -12.872 -2.561 1.00 0.00 C ATOM 595 CG GLU A 38 0.235 -14.170 -2.493 1.00 0.00 C ATOM 596 CD GLU A 38 0.058 -14.810 -1.114 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.665 -14.245 -0.310 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.649 -15.853 -0.887 1.00 0.00 O ATOM 0 H GLU A 38 -0.685 -12.495 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.215 -14.167 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.002 -12.106 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.758 -12.495 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.098 -14.858 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.290 -13.966 -2.678 1.00 0.00 H new ATOM 605 N ILE A 39 -2.958 -10.976 -2.975 1.00 0.00 N ATOM 606 CA ILE A 39 -4.012 -10.059 -2.455 1.00 0.00 C ATOM 607 C ILE A 39 -5.389 -10.526 -2.944 1.00 0.00 C ATOM 608 O ILE A 39 -6.395 -10.326 -2.294 1.00 0.00 O ATOM 609 CB ILE A 39 -3.665 -8.692 -3.054 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.407 -8.133 -2.375 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.834 -7.728 -2.840 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.698 -7.166 -3.324 1.00 0.00 C ATOM 0 H ILE A 39 -2.234 -10.529 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.049 -10.031 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.478 -8.804 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.677 -7.620 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.736 -8.948 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.587 -6.756 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.725 -8.122 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.024 -7.618 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.805 -6.770 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.414 -7.693 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.369 -6.345 -3.575 1.00 0.00 H new ATOM 624 N LYS A 40 -5.431 -11.136 -4.099 1.00 0.00 N ATOM 625 CA LYS A 40 -6.728 -11.615 -4.668 1.00 0.00 C ATOM 626 C LYS A 40 -7.405 -12.631 -3.745 1.00 0.00 C ATOM 627 O LYS A 40 -8.589 -12.559 -3.489 1.00 0.00 O ATOM 628 CB LYS A 40 -6.332 -12.303 -5.975 1.00 0.00 C ATOM 629 CG LYS A 40 -7.590 -12.689 -6.756 1.00 0.00 C ATOM 630 CD LYS A 40 -7.321 -12.561 -8.257 1.00 0.00 C ATOM 631 CE LYS A 40 -8.338 -13.401 -9.031 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.694 -14.734 -9.189 1.00 0.00 N ATOM 0 H LYS A 40 -4.614 -11.325 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.434 -10.796 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.710 -11.637 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.736 -13.191 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.881 -13.711 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.421 -12.045 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.389 -11.517 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.309 -12.895 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.280 -13.479 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.564 -12.954 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.332 -15.368 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.803 -14.629 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.497 -15.138 -8.251 1.00 0.00 H new ATOM 646 N ASN A 41 -6.669 -13.594 -3.277 1.00 0.00 N ATOM 647 CA ASN A 41 -7.270 -14.646 -2.406 1.00 0.00 C ATOM 648 C ASN A 41 -7.920 -14.053 -1.149 1.00 0.00 C ATOM 649 O ASN A 41 -8.951 -14.516 -0.706 1.00 0.00 O ATOM 650 CB ASN A 41 -6.098 -15.550 -2.021 1.00 0.00 C ATOM 651 CG ASN A 41 -5.945 -16.661 -3.061 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.527 -17.719 -2.926 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.182 -16.464 -4.101 1.00 0.00 N ATOM 0 H ASN A 41 -5.671 -13.702 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.065 -15.180 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.180 -14.966 -1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.267 -15.982 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.074 -17.198 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.693 -15.576 -4.214 1.00 0.00 H new ATOM 660 N ALA A 42 -7.326 -13.057 -0.551 1.00 0.00 N ATOM 661 CA ALA A 42 -7.930 -12.487 0.691 1.00 0.00 C ATOM 662 C ALA A 42 -9.181 -11.654 0.386 1.00 0.00 C ATOM 663 O ALA A 42 -10.213 -11.840 0.999 1.00 0.00 O ATOM 664 CB ALA A 42 -6.840 -11.616 1.314 1.00 0.00 C ATOM 0 H ALA A 42 -6.460 -12.617 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.257 -13.279 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.216 -11.165 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.969 -12.230 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.557 -10.831 0.613 1.00 0.00 H new ATOM 670 N VAL A 43 -9.108 -10.728 -0.531 1.00 0.00 N ATOM 671 CA VAL A 43 -10.315 -9.896 -0.818 1.00 0.00 C ATOM 672 C VAL A 43 -11.444 -10.749 -1.413 1.00 0.00 C ATOM 673 O VAL A 43 -12.587 -10.632 -1.020 1.00 0.00 O ATOM 674 CB VAL A 43 -9.871 -8.815 -1.805 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.038 -7.769 -1.065 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.036 -9.427 -2.930 1.00 0.00 C ATOM 0 H VAL A 43 -8.280 -10.512 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.710 -9.454 0.097 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.755 -8.349 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.719 -6.996 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.639 -7.318 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.161 -8.246 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.729 -8.643 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.152 -9.905 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.631 -10.169 -3.462 1.00 0.00 H new ATOM 686 N GLU A 44 -11.146 -11.606 -2.351 1.00 0.00 N ATOM 687 CA GLU A 44 -12.223 -12.446 -2.947 1.00 0.00 C ATOM 688 C GLU A 44 -12.933 -13.246 -1.852 1.00 0.00 C ATOM 689 O GLU A 44 -14.146 -13.280 -1.781 1.00 0.00 O ATOM 690 CB GLU A 44 -11.508 -13.385 -3.921 1.00 0.00 C ATOM 691 CG GLU A 44 -12.309 -13.475 -5.222 1.00 0.00 C ATOM 692 CD GLU A 44 -13.571 -14.309 -4.986 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.732 -14.806 -3.884 1.00 0.00 O ATOM 694 OE2 GLU A 44 -14.353 -14.436 -5.914 1.00 0.00 O ATOM 0 H GLU A 44 -10.211 -11.760 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.983 -11.847 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.502 -13.018 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.402 -14.375 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.579 -12.476 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.702 -13.928 -6.005 1.00 0.00 H new ATOM 701 N THR A 45 -12.187 -13.889 -0.998 1.00 0.00 N ATOM 702 CA THR A 45 -12.813 -14.684 0.092 1.00 0.00 C ATOM 703 C THR A 45 -13.270 -13.771 1.233 1.00 0.00 C ATOM 704 O THR A 45 -14.377 -13.876 1.722 1.00 0.00 O ATOM 705 CB THR A 45 -11.711 -15.612 0.568 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.945 -16.054 -0.544 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.327 -16.811 1.280 1.00 0.00 C ATOM 0 H THR A 45 -11.167 -13.898 -1.009 1.00 0.00 H new ATOM 0 HA THR A 45 -13.697 -15.225 -0.247 1.00 0.00 H new ATOM 0 HB THR A 45 -11.061 -15.077 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.011 -15.782 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.535 -17.477 1.622 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.907 -16.467 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.980 -17.347 0.591 1.00 0.00 H new ATOM 715 N ALA A 46 -12.420 -12.881 1.665 1.00 0.00 N ATOM 716 CA ALA A 46 -12.797 -11.963 2.779 1.00 0.00 C ATOM 717 C ALA A 46 -13.878 -10.979 2.323 1.00 0.00 C ATOM 718 O ALA A 46 -14.984 -10.980 2.825 1.00 0.00 O ATOM 719 CB ALA A 46 -11.509 -11.219 3.131 1.00 0.00 C ATOM 0 H ALA A 46 -11.479 -12.749 1.295 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.206 -12.502 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.703 -10.521 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.748 -11.935 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.156 -10.669 2.258 1.00 0.00 H new ATOM 725 N PHE A 47 -13.566 -10.135 1.376 1.00 0.00 N ATOM 726 CA PHE A 47 -14.578 -9.151 0.893 1.00 0.00 C ATOM 727 C PHE A 47 -15.660 -9.864 0.077 1.00 0.00 C ATOM 728 O PHE A 47 -16.631 -9.266 -0.345 1.00 0.00 O ATOM 729 CB PHE A 47 -13.786 -8.170 0.027 1.00 0.00 C ATOM 730 CG PHE A 47 -12.722 -7.508 0.872 1.00 0.00 C ATOM 731 CD1 PHE A 47 -12.954 -7.263 2.232 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.501 -7.142 0.297 1.00 0.00 C ATOM 733 CE1 PHE A 47 -11.965 -6.654 3.013 1.00 0.00 C ATOM 734 CE2 PHE A 47 -10.513 -6.532 1.077 1.00 0.00 C ATOM 735 CZ PHE A 47 -10.745 -6.288 2.435 1.00 0.00 C ATOM 0 H PHE A 47 -12.657 -10.084 0.917 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.093 -8.642 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.327 -8.695 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.453 -7.418 -0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.897 -7.544 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.321 -7.331 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.144 -6.467 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.571 -6.249 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.982 -5.817 3.037 1.00 0.00 H new ATOM 745 N LYS A 48 -15.501 -11.141 -0.138 1.00 0.00 N ATOM 746 CA LYS A 48 -16.515 -11.908 -0.917 1.00 0.00 C ATOM 747 C LYS A 48 -16.888 -11.151 -2.187 1.00 0.00 C ATOM 748 O LYS A 48 -18.045 -11.013 -2.529 1.00 0.00 O ATOM 749 CB LYS A 48 -17.722 -12.036 0.012 1.00 0.00 C ATOM 750 CG LYS A 48 -17.489 -13.187 0.993 1.00 0.00 C ATOM 751 CD LYS A 48 -18.755 -14.041 1.091 1.00 0.00 C ATOM 752 CE LYS A 48 -19.957 -13.141 1.384 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.134 -14.054 1.364 1.00 0.00 N ATOM 0 H LYS A 48 -14.708 -11.690 0.194 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.142 -12.883 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.876 -11.105 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.625 -12.217 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.650 -13.798 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.226 -12.794 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.913 -14.584 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.644 -14.785 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.855 -12.649 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.054 -12.355 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.999 -13.510 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.209 -14.503 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.017 -14.787 2.092 1.00 0.00 H new ATOM 767 N VAL A 49 -15.910 -10.664 -2.887 1.00 0.00 N ATOM 768 CA VAL A 49 -16.184 -9.917 -4.137 1.00 0.00 C ATOM 769 C VAL A 49 -15.549 -10.641 -5.325 1.00 0.00 C ATOM 770 O VAL A 49 -15.178 -11.795 -5.238 1.00 0.00 O ATOM 771 CB VAL A 49 -15.552 -8.536 -3.896 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.215 -8.385 -4.633 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.520 -7.462 -4.368 1.00 0.00 C ATOM 0 H VAL A 49 -14.923 -10.752 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.245 -9.834 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.354 -8.431 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.801 -7.396 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.518 -9.146 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.375 -8.506 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.081 -6.478 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.721 -7.595 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.453 -7.542 -3.810 1.00 0.00 H new ATOM 783 N LYS A 50 -15.407 -9.965 -6.424 1.00 0.00 N ATOM 784 CA LYS A 50 -14.778 -10.603 -7.611 1.00 0.00 C ATOM 785 C LYS A 50 -13.491 -9.864 -7.962 1.00 0.00 C ATOM 786 O LYS A 50 -13.515 -8.723 -8.376 1.00 0.00 O ATOM 787 CB LYS A 50 -15.804 -10.470 -8.739 1.00 0.00 C ATOM 788 CG LYS A 50 -15.702 -11.688 -9.657 1.00 0.00 C ATOM 789 CD LYS A 50 -14.908 -11.319 -10.912 1.00 0.00 C ATOM 790 CE LYS A 50 -15.604 -11.899 -12.145 1.00 0.00 C ATOM 791 NZ LYS A 50 -17.006 -11.401 -12.064 1.00 0.00 N ATOM 0 H LYS A 50 -15.699 -8.996 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.518 -11.647 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.810 -10.395 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.623 -9.556 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.214 -12.510 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.699 -12.033 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.831 -10.235 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.892 -11.706 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.120 -11.568 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.571 -12.988 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.393 -11.296 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.585 -12.079 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.020 -10.479 -11.583 1.00 0.00 H new ATOM 805 N VAL A 51 -12.363 -10.498 -7.801 1.00 0.00 N ATOM 806 CA VAL A 51 -11.088 -9.809 -8.130 1.00 0.00 C ATOM 807 C VAL A 51 -10.893 -9.803 -9.642 1.00 0.00 C ATOM 808 O VAL A 51 -10.833 -10.836 -10.280 1.00 0.00 O ATOM 809 CB VAL A 51 -9.993 -10.617 -7.443 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.673 -9.846 -7.527 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.364 -10.835 -5.975 1.00 0.00 C ATOM 0 H VAL A 51 -12.270 -11.454 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.076 -8.772 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.886 -11.583 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.885 -10.419 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.410 -9.688 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.783 -8.882 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.581 -11.413 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.468 -9.870 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.307 -11.378 -5.915 1.00 0.00 H new ATOM 821 N VAL A 52 -10.815 -8.642 -10.217 1.00 0.00 N ATOM 822 CA VAL A 52 -10.649 -8.541 -11.687 1.00 0.00 C ATOM 823 C VAL A 52 -9.306 -7.891 -12.022 1.00 0.00 C ATOM 824 O VAL A 52 -8.864 -7.886 -13.154 1.00 0.00 O ATOM 825 CB VAL A 52 -11.815 -7.672 -12.107 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.607 -7.142 -13.518 1.00 0.00 C ATOM 827 CG2 VAL A 52 -13.094 -8.502 -12.057 1.00 0.00 C ATOM 0 H VAL A 52 -10.860 -7.749 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.645 -9.504 -12.199 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.891 -6.824 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.456 -6.520 -13.802 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.694 -6.548 -13.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.522 -7.978 -14.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.940 -7.885 -12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.004 -9.350 -12.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.253 -8.865 -11.042 1.00 0.00 H new ATOM 837 N LYS A 53 -8.653 -7.352 -11.032 1.00 0.00 N ATOM 838 CA LYS A 53 -7.329 -6.707 -11.257 1.00 0.00 C ATOM 839 C LYS A 53 -6.846 -6.062 -9.958 1.00 0.00 C ATOM 840 O LYS A 53 -7.461 -5.153 -9.441 1.00 0.00 O ATOM 841 CB LYS A 53 -7.574 -5.642 -12.322 1.00 0.00 C ATOM 842 CG LYS A 53 -6.920 -6.077 -13.633 1.00 0.00 C ATOM 843 CD LYS A 53 -6.367 -4.851 -14.362 1.00 0.00 C ATOM 844 CE LYS A 53 -4.840 -4.940 -14.428 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.561 -6.191 -15.184 1.00 0.00 N ATOM 0 H LYS A 53 -8.983 -7.330 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.567 -7.420 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.644 -5.496 -12.467 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.163 -4.686 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.117 -6.786 -13.433 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.648 -6.589 -14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.782 -4.795 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.666 -3.941 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.415 -4.071 -14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.403 -4.976 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.774 -6.030 -15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.306 -6.949 -14.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.409 -6.470 -15.718 1.00 0.00 H new ATOM 859 N VAL A 54 -5.751 -6.523 -9.424 1.00 0.00 N ATOM 860 CA VAL A 54 -5.246 -5.924 -8.158 1.00 0.00 C ATOM 861 C VAL A 54 -4.035 -5.035 -8.447 1.00 0.00 C ATOM 862 O VAL A 54 -3.149 -5.400 -9.194 1.00 0.00 O ATOM 863 CB VAL A 54 -4.875 -7.120 -7.254 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.414 -7.028 -6.789 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.774 -7.110 -6.019 1.00 0.00 C ATOM 0 H VAL A 54 -5.187 -7.283 -9.805 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.986 -5.288 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.009 -8.037 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.180 -7.883 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.755 -7.030 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.269 -6.107 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.518 -7.952 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.630 -6.178 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.816 -7.193 -6.327 1.00 0.00 H new ATOM 875 N ASN A 55 -3.977 -3.881 -7.847 1.00 0.00 N ATOM 876 CA ASN A 55 -2.807 -2.996 -8.078 1.00 0.00 C ATOM 877 C ASN A 55 -2.266 -2.501 -6.744 1.00 0.00 C ATOM 878 O ASN A 55 -2.919 -1.776 -6.027 1.00 0.00 O ATOM 879 CB ASN A 55 -3.337 -1.833 -8.918 1.00 0.00 C ATOM 880 CG ASN A 55 -2.555 -1.747 -10.230 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.557 -2.418 -10.403 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.971 -0.944 -11.171 1.00 0.00 N ATOM 0 H ASN A 55 -4.685 -3.515 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.990 -3.510 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.398 -1.974 -9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.242 -0.899 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.458 -0.880 -12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.809 -0.380 -11.027 1.00 0.00 H new ATOM 889 N THR A 56 -1.072 -2.886 -6.404 1.00 0.00 N ATOM 890 CA THR A 56 -0.496 -2.439 -5.108 1.00 0.00 C ATOM 891 C THR A 56 0.614 -1.418 -5.364 1.00 0.00 C ATOM 892 O THR A 56 1.268 -1.444 -6.388 1.00 0.00 O ATOM 893 CB THR A 56 0.057 -3.701 -4.411 1.00 0.00 C ATOM 894 OG1 THR A 56 1.476 -3.630 -4.370 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.365 -4.980 -5.148 1.00 0.00 C ATOM 0 H THR A 56 -0.470 -3.489 -6.965 1.00 0.00 H new ATOM 0 HA THR A 56 -1.243 -1.956 -4.478 1.00 0.00 H new ATOM 0 HB THR A 56 -0.352 -3.739 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.856 -4.396 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.041 -5.849 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.453 -5.046 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.016 -4.954 -6.169 1.00 0.00 H new ATOM 903 N LEU A 57 0.822 -0.503 -4.454 1.00 0.00 N ATOM 904 CA LEU A 57 1.880 0.530 -4.672 1.00 0.00 C ATOM 905 C LEU A 57 2.809 0.609 -3.461 1.00 0.00 C ATOM 906 O LEU A 57 2.666 -0.125 -2.504 1.00 0.00 O ATOM 907 CB LEU A 57 1.147 1.874 -4.834 1.00 0.00 C ATOM 908 CG LEU A 57 -0.258 1.676 -5.415 1.00 0.00 C ATOM 909 CD1 LEU A 57 -1.299 1.958 -4.330 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.466 2.645 -6.581 1.00 0.00 C ATOM 0 H LEU A 57 0.310 -0.425 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 57 2.484 0.285 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.076 2.371 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.724 2.529 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.366 0.651 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.299 1.818 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.150 1.273 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.191 2.985 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.464 2.506 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.360 3.670 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.278 2.450 -7.353 1.00 0.00 H new ATOM 922 N HIS A 58 3.748 1.514 -3.493 1.00 0.00 N ATOM 923 CA HIS A 58 4.675 1.666 -2.339 1.00 0.00 C ATOM 924 C HIS A 58 4.040 2.584 -1.300 1.00 0.00 C ATOM 925 O HIS A 58 3.745 3.731 -1.571 1.00 0.00 O ATOM 926 CB HIS A 58 5.935 2.314 -2.910 1.00 0.00 C ATOM 927 CG HIS A 58 7.147 1.690 -2.277 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.277 1.359 -3.009 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.422 1.329 -0.981 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.171 0.826 -2.156 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.701 0.786 -0.907 1.00 0.00 N ATOM 0 H HIS A 58 3.913 2.155 -4.269 1.00 0.00 H new ATOM 0 HA HIS A 58 4.896 0.714 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.967 2.182 -3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.924 3.387 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.748 1.448 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.150 0.473 -2.446 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.177 0.433 -0.077 1.00 0.00 H new ATOM 939 N VAL A 59 3.831 2.100 -0.113 1.00 0.00 N ATOM 940 CA VAL A 59 3.223 2.967 0.932 1.00 0.00 C ATOM 941 C VAL A 59 4.285 3.308 1.970 1.00 0.00 C ATOM 942 O VAL A 59 4.893 2.439 2.563 1.00 0.00 O ATOM 943 CB VAL A 59 2.059 2.179 1.560 1.00 0.00 C ATOM 944 CG1 VAL A 59 0.753 2.936 1.312 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.941 0.783 0.942 1.00 0.00 C ATOM 0 H VAL A 59 4.052 1.148 0.180 1.00 0.00 H new ATOM 0 HA VAL A 59 2.848 3.902 0.517 1.00 0.00 H new ATOM 0 HB VAL A 59 2.251 2.075 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.077 2.384 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.814 3.925 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.590 3.039 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.111 0.249 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.762 0.873 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.866 0.231 1.110 1.00 0.00 H new ATOM 1245 N ARG A 76 4.566 -1.142 5.331 1.00 0.00 N ATOM 1246 CA ARG A 76 3.189 -1.521 4.906 1.00 0.00 C ATOM 1247 C ARG A 76 3.072 -1.497 3.379 1.00 0.00 C ATOM 1248 O ARG A 76 3.777 -0.775 2.704 1.00 0.00 O ATOM 1249 CB ARG A 76 2.269 -0.475 5.557 1.00 0.00 C ATOM 1250 CG ARG A 76 2.128 0.763 4.657 1.00 0.00 C ATOM 1251 CD ARG A 76 3.459 1.517 4.597 1.00 0.00 C ATOM 1252 NE ARG A 76 3.820 1.768 6.020 1.00 0.00 N ATOM 1253 CZ ARG A 76 3.042 2.499 6.771 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.740 3.716 6.409 1.00 0.00 N ATOM 1255 NH2 ARG A 76 2.565 2.012 7.885 1.00 0.00 N ATOM 0 HA ARG A 76 2.924 -2.533 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.287 -0.911 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.673 -0.182 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.825 0.462 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.346 1.417 5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.225 0.928 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.360 2.451 4.044 1.00 0.00 H new ATOM 0 HE ARG A 76 4.675 1.369 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.112 4.096 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.132 4.287 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.801 1.061 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.957 2.583 8.472 1.00 0.00 H new ATOM 1269 N LYS A 77 2.179 -2.278 2.836 1.00 0.00 N ATOM 1270 CA LYS A 77 2.002 -2.302 1.357 1.00 0.00 C ATOM 1271 C LYS A 77 0.549 -1.968 1.008 1.00 0.00 C ATOM 1272 O LYS A 77 -0.370 -2.382 1.683 1.00 0.00 O ATOM 1273 CB LYS A 77 2.346 -3.731 0.938 1.00 0.00 C ATOM 1274 CG LYS A 77 2.592 -3.779 -0.570 1.00 0.00 C ATOM 1275 CD LYS A 77 2.755 -5.235 -1.014 1.00 0.00 C ATOM 1276 CE LYS A 77 2.088 -5.431 -2.377 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.445 -6.773 -2.300 1.00 0.00 N ATOM 0 H LYS A 77 1.562 -2.903 3.355 1.00 0.00 H new ATOM 0 HA LYS A 77 2.631 -1.573 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.232 -4.074 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.532 -4.405 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.759 -3.317 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.486 -3.208 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.813 -5.492 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.307 -5.903 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.352 -4.651 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.819 -5.389 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.039 -7.017 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.156 -7.484 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.691 -6.756 -1.584 1.00 0.00 H new ATOM 1291 N LYS A 78 0.331 -1.218 -0.035 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.067 -0.862 -0.410 1.00 0.00 C ATOM 1293 C LYS A 78 -1.533 -1.742 -1.571 1.00 0.00 C ATOM 1294 O LYS A 78 -0.814 -1.933 -2.525 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.002 0.603 -0.841 1.00 0.00 C ATOM 1296 CG LYS A 78 -2.034 1.414 -0.053 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.962 2.881 -0.478 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.493 3.766 0.653 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.115 5.153 0.264 1.00 0.00 N ATOM 0 H LYS A 78 1.056 -0.837 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.769 -1.012 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.002 1.000 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.197 0.687 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.035 1.021 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.843 1.324 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.933 3.152 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.549 3.038 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.573 3.666 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.052 3.490 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.445 5.820 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.081 5.220 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.555 5.390 -0.648 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.723 -2.285 -1.498 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.208 -3.157 -2.613 1.00 0.00 C ATOM 1315 C ALA A 79 -4.541 -2.672 -3.165 1.00 0.00 C ATOM 1316 O ALA A 79 -5.532 -2.621 -2.464 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.406 -4.532 -2.010 1.00 0.00 C ATOM 0 H ALA A 79 -3.374 -2.164 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.491 -3.150 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.762 -5.218 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.459 -4.894 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.140 -4.475 -1.207 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.580 -2.349 -4.422 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.851 -1.892 -5.037 1.00 0.00 C ATOM 1325 C ILE A 80 -6.555 -3.065 -5.712 1.00 0.00 C ATOM 1326 O ILE A 80 -6.089 -3.584 -6.701 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.439 -0.856 -6.075 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.680 0.278 -5.386 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.688 -0.298 -6.757 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.538 1.449 -6.354 1.00 0.00 C ATOM 0 H ILE A 80 -3.781 -2.382 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.541 -1.480 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.795 -1.321 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.212 0.595 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.696 -0.068 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.396 0.444 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.228 -1.109 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.332 0.169 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.997 2.260 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.988 1.126 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.527 1.799 -6.650 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.670 -3.489 -5.188 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.390 -4.637 -5.810 1.00 0.00 C ATOM 1344 C VAL A 81 -9.475 -4.127 -6.762 1.00 0.00 C ATOM 1345 O VAL A 81 -10.239 -3.242 -6.431 1.00 0.00 O ATOM 1346 CB VAL A 81 -9.021 -5.401 -4.643 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.384 -6.816 -5.096 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -8.027 -5.482 -3.480 1.00 0.00 C ATOM 0 H VAL A 81 -8.114 -3.093 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.722 -5.270 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.920 -4.878 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.833 -7.360 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.094 -6.763 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.484 -7.335 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.480 -6.026 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.126 -6.002 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.766 -4.475 -3.153 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.552 -4.682 -7.941 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.590 -4.233 -8.907 1.00 0.00 C ATOM 1360 C GLN A 82 -11.602 -5.343 -9.119 1.00 0.00 C ATOM 1361 O GLN A 82 -11.260 -6.509 -9.140 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.843 -3.962 -10.207 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.843 -3.672 -11.330 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.027 -2.161 -11.472 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.075 -1.411 -11.390 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.220 -1.679 -11.683 1.00 0.00 N ATOM 0 H GLN A 82 -8.940 -5.427 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.126 -3.352 -8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.169 -3.115 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.227 -4.822 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.485 -4.095 -12.268 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.800 -4.146 -11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.020 -2.309 -11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.354 -0.672 -11.779 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.841 -5.004 -9.288 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.841 -6.069 -9.510 1.00 0.00 C ATOM 1377 C VAL A 83 -14.621 -5.809 -10.797 1.00 0.00 C ATOM 1378 O VAL A 83 -14.714 -4.697 -11.274 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.765 -6.052 -8.291 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.939 -5.846 -7.020 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.779 -4.916 -8.433 1.00 0.00 C ATOM 0 H VAL A 83 -13.201 -4.050 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.367 -7.044 -9.623 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.293 -7.003 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.601 -5.834 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.221 -6.659 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.406 -4.897 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.437 -4.905 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.252 -3.964 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.372 -5.068 -9.335 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.174 -6.840 -11.355 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.950 -6.692 -12.615 1.00 0.00 C ATOM 1393 C ALA A 84 -16.939 -5.531 -12.517 1.00 0.00 C ATOM 1394 O ALA A 84 -17.116 -4.939 -11.470 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.696 -8.011 -12.759 1.00 0.00 C ATOM 0 H ALA A 84 -15.123 -7.791 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.307 -6.476 -13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.298 -7.991 -13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.979 -8.830 -12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.346 -8.158 -11.896 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.550 -5.255 -13.632 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.545 -4.165 -13.724 1.00 0.00 C ATOM 1403 C PRO A 85 -19.896 -4.630 -13.175 1.00 0.00 C ATOM 1404 O PRO A 85 -20.907 -4.565 -13.846 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.636 -3.896 -15.222 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.217 -5.167 -15.884 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.364 -5.943 -14.909 1.00 0.00 C ATOM 0 HA PRO A 85 -18.269 -3.281 -13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.650 -3.620 -15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.986 -3.070 -15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.090 -5.751 -16.175 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.657 -4.955 -16.795 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.679 -6.985 -14.848 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.317 -5.943 -15.211 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.918 -5.100 -11.961 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.201 -5.574 -11.366 1.00 0.00 C ATOM 1417 C GLY A 86 -21.046 -5.713 -9.850 1.00 0.00 C ATOM 1418 O GLY A 86 -21.966 -5.459 -9.097 1.00 0.00 O ATOM 0 H GLY A 86 -19.103 -5.177 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.002 -4.871 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.483 -6.532 -11.802 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.889 -6.108 -9.394 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.677 -6.256 -7.925 1.00 0.00 C ATOM 1424 C GLN A 87 -18.813 -5.106 -7.403 1.00 0.00 C ATOM 1425 O GLN A 87 -18.372 -4.259 -8.154 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.959 -7.598 -7.744 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.847 -7.738 -8.782 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.387 -8.493 -9.998 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.590 -7.912 -11.045 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.643 -9.769 -9.901 1.00 0.00 N ATOM 0 H GLN A 87 -19.081 -6.335 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.616 -6.230 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.541 -7.664 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.670 -8.418 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.486 -6.754 -9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.999 -8.272 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.473 -10.258 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.013 -10.277 -10.704 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.572 -5.068 -6.123 1.00 0.00 N ATOM 1440 CA LYS A 88 -17.742 -3.968 -5.555 1.00 0.00 C ATOM 1441 C LYS A 88 -17.608 -4.132 -4.039 1.00 0.00 C ATOM 1442 O LYS A 88 -18.574 -4.042 -3.307 1.00 0.00 O ATOM 1443 CB LYS A 88 -18.501 -2.683 -5.889 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.994 -2.881 -5.611 1.00 0.00 C ATOM 1445 CD LYS A 88 -20.628 -1.539 -5.241 1.00 0.00 C ATOM 1446 CE LYS A 88 -20.905 -0.736 -6.514 1.00 0.00 C ATOM 1447 NZ LYS A 88 -22.049 0.151 -6.166 1.00 0.00 N ATOM 0 H LYS A 88 -18.913 -5.750 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 88 -16.732 -3.963 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.116 -1.856 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -18.347 -2.420 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.486 -3.297 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.132 -3.596 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.556 -1.702 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.963 -0.980 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.032 -0.156 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -21.153 -1.392 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.299 0.735 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -22.867 -0.429 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.781 0.768 -5.373 1.00 0.00 H new ATOM 1461 N ILE A 89 -16.417 -4.369 -3.562 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.223 -4.534 -2.094 1.00 0.00 C ATOM 1463 C ILE A 89 -17.004 -3.455 -1.338 1.00 0.00 C ATOM 1464 O ILE A 89 -16.535 -2.351 -1.146 1.00 0.00 O ATOM 1465 CB ILE A 89 -14.717 -4.374 -1.876 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -13.981 -5.518 -2.580 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -14.407 -4.417 -0.379 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -12.472 -5.335 -2.411 1.00 0.00 C ATOM 0 H ILE A 89 -15.571 -4.455 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.583 -5.496 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.390 -3.418 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -14.291 -6.476 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.240 -5.534 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.334 -4.303 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.933 -3.607 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -14.732 -5.372 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.948 -6.149 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.169 -4.384 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.221 -5.341 -1.350 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.200 -3.769 -0.916 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.029 -2.770 -0.179 1.00 0.00 C ATOM 1482 C GLU A 90 -18.294 -2.257 1.063 1.00 0.00 C ATOM 1483 O GLU A 90 -18.678 -1.268 1.656 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.293 -3.530 0.225 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.170 -3.753 -1.006 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.585 -3.244 -0.726 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.386 -4.021 -0.233 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.844 -2.085 -1.007 1.00 0.00 O ATOM 0 H GLU A 90 -18.641 -4.679 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.249 -1.895 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.027 -4.487 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.843 -2.967 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.748 -3.231 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.197 -4.813 -1.259 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.247 -2.921 1.468 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.503 -2.468 2.678 1.00 0.00 C ATOM 1497 C ALA A 91 -16.074 -1.005 2.523 1.00 0.00 C ATOM 1498 O ALA A 91 -15.965 -0.276 3.489 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.279 -3.381 2.754 1.00 0.00 C ATOM 0 H ALA A 91 -16.875 -3.756 1.015 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.111 -2.524 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.677 -3.111 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.603 -4.418 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.683 -3.266 1.849 1.00 0.00 H new ATOM 1505 N LEU A 92 -15.835 -0.568 1.316 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.417 0.853 1.107 1.00 0.00 C ATOM 1507 C LEU A 92 -16.577 1.642 0.507 1.00 0.00 C ATOM 1508 O LEU A 92 -16.644 2.850 0.616 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.245 0.826 0.111 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.532 -0.525 0.153 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.355 -0.514 -0.824 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.012 -0.778 1.569 1.00 0.00 C ATOM 0 H LEU A 92 -15.910 -1.129 0.467 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.127 1.323 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.613 1.017 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.540 1.622 0.349 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.230 -1.313 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.847 -1.478 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.722 -0.329 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.656 0.273 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.503 -1.741 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.314 0.012 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.848 -0.785 2.268 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.484 0.965 -0.137 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.633 1.673 -0.758 1.00 0.00 C ATOM 1526 C GLU A 93 -19.385 2.490 0.296 1.00 0.00 C ATOM 1527 O GLU A 93 -20.005 3.491 -0.007 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.525 0.566 -1.319 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.798 -0.149 -2.458 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.717 0.777 -3.673 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.418 1.775 -3.680 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -17.955 0.473 -4.576 1.00 0.00 O ATOM 0 H GLU A 93 -17.479 -0.048 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.317 2.372 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.778 -0.145 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.462 0.988 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.796 -0.437 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.325 -1.066 -2.721 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.336 2.071 1.531 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.050 2.824 2.603 1.00 0.00 C ATOM 1541 C GLY A 94 -19.032 3.543 3.489 1.00 0.00 C ATOM 1542 O GLY A 94 -19.313 3.887 4.620 1.00 0.00 O ATOM 0 H GLY A 94 -18.833 1.241 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.736 3.546 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.651 2.141 3.203 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.850 3.773 2.986 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.815 4.472 3.802 1.00 0.00 C ATOM 1548 C LEU A 95 -16.753 5.953 3.419 1.00 0.00 C ATOM 1549 O LEU A 95 -15.948 6.704 3.934 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.500 3.773 3.458 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.832 3.280 4.743 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.764 2.302 5.462 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.522 2.570 4.395 1.00 0.00 C ATOM 0 H LEU A 95 -17.556 3.508 2.046 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.031 4.429 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.687 2.934 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.837 4.460 2.932 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.626 4.130 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.287 1.951 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.699 2.805 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.971 1.452 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.045 2.218 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.730 1.721 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.857 3.265 3.883 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.596 6.378 2.518 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.586 7.809 2.103 1.00 0.00 C ATOM 1567 C ILE A 96 -18.342 8.662 3.125 1.00 0.00 C ATOM 1568 O ILE A 96 -19.461 8.304 3.453 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.299 7.832 0.750 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.355 7.301 -0.331 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.707 9.266 0.409 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.869 5.953 -0.842 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.789 9.657 3.563 1.00 0.00 O ATOM 0 H ILE A 96 -18.291 5.796 2.051 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.576 8.214 2.039 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.189 7.204 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -17.290 8.013 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.349 7.189 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.215 9.280 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.379 9.646 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.818 9.895 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.196 5.575 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.911 5.243 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.867 6.080 -1.262 1.00 0.00 H new