USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 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 56 THR OG1 : rot 59:sc= -4.35! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 155:sc= -0.579 (180deg=-1.86!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -149:sc= -1.31! (180deg=-2.02!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.753 K(o=-0.56,f=-8.4!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.229 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -137:sc= -6.49! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 110:sc= -0.481 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 31 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-6.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -170:sc= -5.39! 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= -0.216 X(o=-0.22,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-6.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -3.74! C(o=-3.7!,f=-8.6!) USER MOD Single : A 87 GLN : amide:sc= -11.3! C(o=-11!,f=-15!) USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -0.0694 (180deg=-0.53) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -1.778 -10.410 4.347 1.00 0.00 N ATOM 100 CA VAL A 7 -1.967 -9.858 2.978 1.00 0.00 C ATOM 101 C VAL A 7 -2.795 -8.560 2.998 1.00 0.00 C ATOM 102 O VAL A 7 -2.319 -7.526 3.412 1.00 0.00 O ATOM 103 CB VAL A 7 -2.689 -10.965 2.208 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.913 -10.522 0.767 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.838 -12.235 2.204 1.00 0.00 C ATOM 0 HA VAL A 7 -1.018 -9.587 2.516 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.646 -11.164 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.427 -11.312 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.520 -9.617 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.952 -10.320 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.358 -13.020 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.880 -12.030 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.668 -12.562 3.230 1.00 0.00 H new ATOM 115 N ILE A 8 -4.016 -8.594 2.527 1.00 0.00 N ATOM 116 CA ILE A 8 -4.840 -7.348 2.486 1.00 0.00 C ATOM 117 C ILE A 8 -5.489 -7.041 3.839 1.00 0.00 C ATOM 118 O ILE A 8 -6.569 -7.512 4.138 1.00 0.00 O ATOM 119 CB ILE A 8 -5.921 -7.639 1.449 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.288 -8.181 0.167 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.662 -6.349 1.116 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.342 -8.959 -0.617 1.00 0.00 C ATOM 0 H ILE A 8 -4.478 -9.430 2.169 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.228 -6.480 2.242 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.610 -8.378 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.899 -7.361 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.444 -8.828 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.435 -6.554 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.122 -5.950 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.959 -5.619 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.899 -9.349 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.709 -9.787 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.171 -8.297 -0.868 1.00 0.00 H new ATOM 134 N LEU A 9 -4.854 -6.235 4.648 1.00 0.00 N ATOM 135 CA LEU A 9 -5.448 -5.883 5.973 1.00 0.00 C ATOM 136 C LEU A 9 -6.678 -4.980 5.785 1.00 0.00 C ATOM 137 O LEU A 9 -7.730 -5.434 5.381 1.00 0.00 O ATOM 138 CB LEU A 9 -4.334 -5.153 6.727 1.00 0.00 C ATOM 139 CG LEU A 9 -3.299 -6.169 7.214 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.004 -5.443 7.583 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.842 -6.899 8.445 1.00 0.00 C ATOM 0 H LEU A 9 -3.951 -5.805 4.450 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.793 -6.761 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.860 -4.418 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.750 -4.607 7.574 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.098 -6.890 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.267 -6.167 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.617 -4.922 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.204 -4.722 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.105 -7.623 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.043 -6.177 9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.765 -7.417 8.183 1.00 0.00 H new ATOM 153 N ALA A 10 -6.565 -3.708 6.078 1.00 0.00 N ATOM 154 CA ALA A 10 -7.739 -2.800 5.917 1.00 0.00 C ATOM 155 C ALA A 10 -7.538 -1.858 4.725 1.00 0.00 C ATOM 156 O ALA A 10 -6.435 -1.685 4.246 1.00 0.00 O ATOM 157 CB ALA A 10 -7.803 -2.003 7.221 1.00 0.00 C ATOM 0 H ALA A 10 -5.714 -3.262 6.420 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.658 -3.354 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.643 -1.309 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.935 -2.687 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.877 -1.444 7.351 1.00 0.00 H new ATOM 163 N PRO A 11 -8.625 -1.277 4.287 1.00 0.00 N ATOM 164 CA PRO A 11 -8.586 -0.335 3.140 1.00 0.00 C ATOM 165 C PRO A 11 -7.994 1.012 3.570 1.00 0.00 C ATOM 166 O PRO A 11 -7.856 1.291 4.744 1.00 0.00 O ATOM 167 CB PRO A 11 -10.054 -0.180 2.756 1.00 0.00 C ATOM 168 CG PRO A 11 -10.819 -0.491 4.003 1.00 0.00 C ATOM 169 CD PRO A 11 -9.982 -1.446 4.818 1.00 0.00 C ATOM 0 HA PRO A 11 -7.967 -0.691 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.265 0.830 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.324 -0.860 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.021 0.420 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.784 -0.937 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.027 -1.208 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.328 -2.474 4.707 1.00 0.00 H new ATOM 177 N VAL A 12 -7.645 1.849 2.630 1.00 0.00 N ATOM 178 CA VAL A 12 -7.065 3.176 2.993 1.00 0.00 C ATOM 179 C VAL A 12 -7.999 4.305 2.545 1.00 0.00 C ATOM 180 O VAL A 12 -8.543 4.277 1.459 1.00 0.00 O ATOM 181 CB VAL A 12 -5.723 3.257 2.246 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.040 1.887 2.244 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.957 3.703 0.799 1.00 0.00 C ATOM 0 H VAL A 12 -7.736 1.673 1.629 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.933 3.281 4.070 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.085 3.981 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.091 1.955 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.859 1.569 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.683 1.161 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.002 3.758 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.605 2.984 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.431 4.684 0.793 1.00 0.00 H new ATOM 193 N LEU A 13 -8.183 5.303 3.365 1.00 0.00 N ATOM 194 CA LEU A 13 -9.073 6.429 2.969 1.00 0.00 C ATOM 195 C LEU A 13 -8.239 7.640 2.541 1.00 0.00 C ATOM 196 O LEU A 13 -7.555 8.248 3.340 1.00 0.00 O ATOM 197 CB LEU A 13 -9.894 6.752 4.217 1.00 0.00 C ATOM 198 CG LEU A 13 -10.872 5.608 4.497 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.606 5.233 3.208 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.098 4.392 5.014 1.00 0.00 C ATOM 0 H LEU A 13 -7.757 5.387 4.288 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.710 6.170 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.234 6.897 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.440 7.684 4.074 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.596 5.926 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.302 4.418 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.157 6.098 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.883 4.915 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.793 3.576 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.374 4.076 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.576 4.657 5.933 1.00 0.00 H new ATOM 212 N SER A 14 -8.292 7.995 1.286 1.00 0.00 N ATOM 213 CA SER A 14 -7.503 9.167 0.807 1.00 0.00 C ATOM 214 C SER A 14 -8.187 9.801 -0.408 1.00 0.00 C ATOM 215 O SER A 14 -8.802 9.124 -1.208 1.00 0.00 O ATOM 216 CB SER A 14 -6.135 8.602 0.417 1.00 0.00 C ATOM 217 OG SER A 14 -6.195 7.182 0.404 1.00 0.00 O ATOM 0 H SER A 14 -8.847 7.525 0.571 1.00 0.00 H new ATOM 0 HA SER A 14 -7.417 9.943 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.843 8.973 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.376 8.938 1.123 1.00 0.00 H new ATOM 0 HG SER A 14 -5.320 6.820 0.153 1.00 0.00 H new ATOM 223 N GLU A 15 -8.086 11.095 -0.550 1.00 0.00 N ATOM 224 CA GLU A 15 -8.733 11.769 -1.712 1.00 0.00 C ATOM 225 C GLU A 15 -8.508 10.956 -2.990 1.00 0.00 C ATOM 226 O GLU A 15 -9.443 10.513 -3.628 1.00 0.00 O ATOM 227 CB GLU A 15 -8.042 13.131 -1.815 1.00 0.00 C ATOM 228 CG GLU A 15 -9.024 14.233 -1.412 1.00 0.00 C ATOM 229 CD GLU A 15 -9.759 14.743 -2.653 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.557 13.995 -3.194 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.511 15.872 -3.041 1.00 0.00 O ATOM 0 H GLU A 15 -7.584 11.714 0.087 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.811 11.866 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.165 13.156 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.691 13.297 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.740 13.849 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.490 15.052 -0.931 1.00 0.00 H new ATOM 238 N LYS A 16 -7.276 10.760 -3.370 1.00 0.00 N ATOM 239 CA LYS A 16 -6.989 9.981 -4.605 1.00 0.00 C ATOM 240 C LYS A 16 -7.663 8.609 -4.538 1.00 0.00 C ATOM 241 O LYS A 16 -8.220 8.130 -5.504 1.00 0.00 O ATOM 242 CB LYS A 16 -5.467 9.832 -4.636 1.00 0.00 C ATOM 243 CG LYS A 16 -5.031 8.750 -3.645 1.00 0.00 C ATOM 244 CD LYS A 16 -3.506 8.611 -3.676 1.00 0.00 C ATOM 245 CE LYS A 16 -2.967 8.584 -2.244 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.834 9.550 -2.243 1.00 0.00 N ATOM 0 H LYS A 16 -6.454 11.107 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.368 10.474 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.139 9.570 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.994 10.781 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.363 9.009 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.498 7.799 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.224 7.697 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.065 9.442 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.735 8.875 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.634 7.584 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.411 9.588 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.116 9.243 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.183 10.494 -2.505 1.00 0.00 H new ATOM 260 N ALA A 17 -7.606 7.970 -3.403 1.00 0.00 N ATOM 261 CA ALA A 17 -8.232 6.628 -3.277 1.00 0.00 C ATOM 262 C ALA A 17 -9.745 6.725 -3.489 1.00 0.00 C ATOM 263 O ALA A 17 -10.296 6.117 -4.384 1.00 0.00 O ATOM 264 CB ALA A 17 -7.918 6.174 -1.852 1.00 0.00 C ATOM 0 H ALA A 17 -7.153 8.320 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.853 5.927 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.349 5.187 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.838 6.127 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.343 6.883 -1.142 1.00 0.00 H new ATOM 270 N TYR A 18 -10.421 7.485 -2.673 1.00 0.00 N ATOM 271 CA TYR A 18 -11.897 7.618 -2.831 1.00 0.00 C ATOM 272 C TYR A 18 -12.245 7.916 -4.291 1.00 0.00 C ATOM 273 O TYR A 18 -13.242 7.453 -4.810 1.00 0.00 O ATOM 274 CB TYR A 18 -12.289 8.789 -1.930 1.00 0.00 C ATOM 275 CG TYR A 18 -12.704 8.261 -0.579 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.540 7.142 -0.493 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.251 8.887 0.587 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.924 6.649 0.760 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.635 8.396 1.841 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.471 7.277 1.927 1.00 0.00 C ATOM 281 OH TYR A 18 -13.848 6.792 3.163 1.00 0.00 O ATOM 0 H TYR A 18 -10.016 8.019 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.427 6.705 -2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.450 9.477 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.107 9.352 -2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.889 6.659 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.605 9.750 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.569 5.785 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.286 8.881 2.741 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.083 7.540 3.750 1.00 0.00 H new ATOM 291 N ALA A 19 -11.428 8.682 -4.960 1.00 0.00 N ATOM 292 CA ALA A 19 -11.709 9.007 -6.387 1.00 0.00 C ATOM 293 C ALA A 19 -11.051 7.968 -7.302 1.00 0.00 C ATOM 294 O ALA A 19 -11.282 7.938 -8.495 1.00 0.00 O ATOM 295 CB ALA A 19 -11.095 10.389 -6.608 1.00 0.00 C ATOM 0 H ALA A 19 -10.577 9.097 -4.580 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.775 8.998 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.261 10.700 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.562 11.107 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.024 10.347 -6.409 1.00 0.00 H new ATOM 301 N GLY A 20 -10.240 7.111 -6.745 1.00 0.00 N ATOM 302 CA GLY A 20 -9.566 6.063 -7.567 1.00 0.00 C ATOM 303 C GLY A 20 -10.287 4.741 -7.346 1.00 0.00 C ATOM 304 O GLY A 20 -10.426 3.933 -8.242 1.00 0.00 O ATOM 0 H GLY A 20 -10.013 7.091 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.589 6.336 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.517 5.975 -7.283 1.00 0.00 H new ATOM 308 N PHE A 21 -10.764 4.526 -6.155 1.00 0.00 N ATOM 309 CA PHE A 21 -11.497 3.272 -5.862 1.00 0.00 C ATOM 310 C PHE A 21 -12.927 3.398 -6.401 1.00 0.00 C ATOM 311 O PHE A 21 -13.617 2.423 -6.622 1.00 0.00 O ATOM 312 CB PHE A 21 -11.461 3.158 -4.324 1.00 0.00 C ATOM 313 CG PHE A 21 -12.806 3.505 -3.724 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.209 4.841 -3.638 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.649 2.488 -3.262 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.456 5.163 -3.090 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.896 2.808 -2.713 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.299 4.146 -2.626 1.00 0.00 C ATOM 0 H PHE A 21 -10.676 5.170 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.067 2.385 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.181 2.144 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.697 3.825 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.558 5.625 -3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.337 1.456 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.768 6.195 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.547 2.023 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.260 4.394 -2.201 1.00 0.00 H new ATOM 328 N ALA A 22 -13.368 4.610 -6.601 1.00 0.00 N ATOM 329 CA ALA A 22 -14.743 4.843 -7.110 1.00 0.00 C ATOM 330 C ALA A 22 -14.989 4.049 -8.398 1.00 0.00 C ATOM 331 O ALA A 22 -16.115 3.789 -8.771 1.00 0.00 O ATOM 332 CB ALA A 22 -14.801 6.343 -7.386 1.00 0.00 C ATOM 0 H ALA A 22 -12.825 5.456 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.505 4.521 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.788 6.605 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.612 6.890 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.045 6.606 -8.125 1.00 0.00 H new ATOM 338 N GLU A 23 -13.944 3.672 -9.081 1.00 0.00 N ATOM 339 CA GLU A 23 -14.113 2.902 -10.349 1.00 0.00 C ATOM 340 C GLU A 23 -14.160 1.400 -10.061 1.00 0.00 C ATOM 341 O GLU A 23 -13.969 0.585 -10.941 1.00 0.00 O ATOM 342 CB GLU A 23 -12.879 3.246 -11.184 1.00 0.00 C ATOM 343 CG GLU A 23 -13.266 3.325 -12.662 1.00 0.00 C ATOM 344 CD GLU A 23 -12.763 4.643 -13.254 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.547 5.568 -12.488 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.602 4.703 -14.462 1.00 0.00 O ATOM 0 H GLU A 23 -12.978 3.863 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.041 3.154 -10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.459 4.197 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.107 2.490 -11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.838 2.483 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.349 3.256 -12.769 1.00 0.00 H new ATOM 353 N GLY A 24 -14.397 1.025 -8.835 1.00 0.00 N ATOM 354 CA GLY A 24 -14.437 -0.416 -8.492 1.00 0.00 C ATOM 355 C GLY A 24 -13.054 -0.852 -8.005 1.00 0.00 C ATOM 356 O GLY A 24 -12.841 -1.989 -7.634 1.00 0.00 O ATOM 0 H GLY A 24 -14.565 1.661 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.183 -0.598 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.731 -1.002 -9.363 1.00 0.00 H new ATOM 360 N LYS A 25 -12.116 0.055 -7.996 1.00 0.00 N ATOM 361 CA LYS A 25 -10.741 -0.276 -7.529 1.00 0.00 C ATOM 362 C LYS A 25 -10.698 -0.209 -6.002 1.00 0.00 C ATOM 363 O LYS A 25 -11.339 0.623 -5.398 1.00 0.00 O ATOM 364 CB LYS A 25 -9.863 0.818 -8.147 1.00 0.00 C ATOM 365 CG LYS A 25 -9.616 0.498 -9.623 1.00 0.00 C ATOM 366 CD LYS A 25 -8.146 0.751 -9.965 1.00 0.00 C ATOM 367 CE LYS A 25 -7.866 0.278 -11.393 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.333 1.477 -12.098 1.00 0.00 N ATOM 0 H LYS A 25 -12.246 1.021 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.412 -1.275 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.350 1.788 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.914 0.883 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.874 -0.541 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.257 1.116 -10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.917 1.812 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.502 0.222 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.145 -0.539 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.773 -0.091 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.117 1.232 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.043 2.236 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.466 1.801 -11.624 1.00 0.00 H new ATOM 382 N TYR A 26 -9.975 -1.086 -5.360 1.00 0.00 N ATOM 383 CA TYR A 26 -9.938 -1.043 -3.870 1.00 0.00 C ATOM 384 C TYR A 26 -8.503 -1.020 -3.339 1.00 0.00 C ATOM 385 O TYR A 26 -7.772 -1.985 -3.444 1.00 0.00 O ATOM 386 CB TYR A 26 -10.666 -2.306 -3.416 1.00 0.00 C ATOM 387 CG TYR A 26 -12.121 -2.223 -3.817 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.815 -1.013 -3.697 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.775 -3.359 -4.307 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.164 -0.940 -4.067 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.124 -3.285 -4.676 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.817 -2.075 -4.557 1.00 0.00 C ATOM 393 OH TYR A 26 -16.147 -2.004 -4.920 1.00 0.00 O ATOM 0 H TYR A 26 -9.416 -1.820 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.408 -0.137 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.204 -3.186 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.582 -2.418 -2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.310 -0.136 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.240 -4.292 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.700 -0.007 -3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.630 -4.162 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.225 -2.076 -5.894 1.00 0.00 H new ATOM 403 N THR A 27 -8.118 0.072 -2.738 1.00 0.00 N ATOM 404 CA THR A 27 -6.758 0.185 -2.156 1.00 0.00 C ATOM 405 C THR A 27 -6.768 -0.425 -0.760 1.00 0.00 C ATOM 406 O THR A 27 -7.539 -0.037 0.095 1.00 0.00 O ATOM 407 CB THR A 27 -6.475 1.687 -2.094 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.836 2.284 -3.332 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.988 1.919 -1.828 1.00 0.00 C ATOM 0 H THR A 27 -8.700 0.902 -2.626 1.00 0.00 H new ATOM 0 HA THR A 27 -5.997 -0.336 -2.738 1.00 0.00 H new ATOM 0 HB THR A 27 -7.058 2.134 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.658 3.247 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.789 2.990 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.712 1.460 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.401 1.473 -2.631 1.00 0.00 H new ATOM 417 N PHE A 28 -5.940 -1.393 -0.536 1.00 0.00 N ATOM 418 CA PHE A 28 -5.916 -2.058 0.790 1.00 0.00 C ATOM 419 C PHE A 28 -4.573 -1.856 1.477 1.00 0.00 C ATOM 420 O PHE A 28 -3.595 -1.511 0.856 1.00 0.00 O ATOM 421 CB PHE A 28 -6.106 -3.537 0.481 1.00 0.00 C ATOM 422 CG PHE A 28 -7.483 -3.790 -0.081 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.581 -3.051 0.373 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.657 -4.777 -1.057 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.855 -3.299 -0.149 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.931 -5.026 -1.581 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.030 -4.287 -1.126 1.00 0.00 C ATOM 0 H PHE A 28 -5.273 -1.757 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.680 -1.656 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.350 -3.865 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.964 -4.125 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.445 -2.289 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.809 -5.347 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.703 -2.729 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.066 -5.787 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.013 -4.479 -1.529 1.00 0.00 H new ATOM 437 N TRP A 29 -4.515 -2.128 2.748 1.00 0.00 N ATOM 438 CA TRP A 29 -3.232 -2.022 3.481 1.00 0.00 C ATOM 439 C TRP A 29 -2.710 -3.439 3.579 1.00 0.00 C ATOM 440 O TRP A 29 -3.406 -4.322 4.037 1.00 0.00 O ATOM 441 CB TRP A 29 -3.585 -1.477 4.865 1.00 0.00 C ATOM 442 CG TRP A 29 -3.631 0.018 4.829 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.712 0.766 5.142 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.573 0.957 4.473 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.389 2.103 4.998 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.082 2.272 4.589 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.236 0.798 4.064 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.294 3.389 4.309 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.440 1.921 3.783 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.968 3.214 3.906 1.00 0.00 C ATOM 0 H TRP A 29 -5.311 -2.422 3.314 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.489 -1.378 3.011 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.549 -1.871 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.847 -1.809 5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.672 0.382 5.454 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.038 2.870 5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.819 -0.193 3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.707 4.383 4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.585 1.787 3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.351 4.073 3.690 1.00 0.00 H new ATOM 461 N VAL A 30 -1.541 -3.709 3.106 1.00 0.00 N ATOM 462 CA VAL A 30 -1.099 -5.114 3.151 1.00 0.00 C ATOM 463 C VAL A 30 0.394 -5.246 3.422 1.00 0.00 C ATOM 464 O VAL A 30 1.178 -4.351 3.183 1.00 0.00 O ATOM 465 CB VAL A 30 -1.486 -5.648 1.773 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.141 -4.623 0.688 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.745 -6.933 1.488 1.00 0.00 C ATOM 0 H VAL A 30 -0.887 -3.040 2.700 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.560 -5.672 3.966 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.560 -5.834 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.423 -5.018 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.685 -3.697 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.070 -4.424 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.028 -7.305 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.329 -6.747 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.000 -7.676 2.244 1.00 0.00 H new ATOM 477 N HIS A 31 0.768 -6.377 3.942 1.00 0.00 N ATOM 478 CA HIS A 31 2.197 -6.637 4.272 1.00 0.00 C ATOM 479 C HIS A 31 3.060 -6.608 3.011 1.00 0.00 C ATOM 480 O HIS A 31 2.598 -6.924 1.932 1.00 0.00 O ATOM 481 CB HIS A 31 2.193 -8.039 4.883 1.00 0.00 C ATOM 482 CG HIS A 31 3.175 -8.099 6.021 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.094 -9.129 6.152 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.395 -7.263 7.088 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.816 -8.890 7.261 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.431 -7.765 7.870 1.00 0.00 N ATOM 0 H HIS A 31 0.135 -7.147 4.157 1.00 0.00 H new ATOM 0 HA HIS A 31 2.610 -5.885 4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.193 -8.288 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.455 -8.777 4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.847 -6.354 7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.610 -9.530 7.616 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.814 -7.361 8.725 1.00 0.00 H new ATOM 494 N PRO A 32 4.300 -6.245 3.196 1.00 0.00 N ATOM 495 CA PRO A 32 5.255 -6.189 2.064 1.00 0.00 C ATOM 496 C PRO A 32 5.612 -7.607 1.629 1.00 0.00 C ATOM 497 O PRO A 32 6.717 -8.073 1.827 1.00 0.00 O ATOM 498 CB PRO A 32 6.467 -5.479 2.653 1.00 0.00 C ATOM 499 CG PRO A 32 6.385 -5.732 4.124 1.00 0.00 C ATOM 500 CD PRO A 32 4.924 -5.854 4.465 1.00 0.00 C ATOM 0 HA PRO A 32 4.863 -5.679 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.395 -5.870 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.444 -4.411 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.921 -6.643 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.845 -4.917 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.755 -6.601 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.520 -4.912 4.836 1.00 0.00 H new ATOM 508 N LYS A 33 4.676 -8.301 1.055 1.00 0.00 N ATOM 509 CA LYS A 33 4.940 -9.700 0.624 1.00 0.00 C ATOM 510 C LYS A 33 3.684 -10.290 -0.013 1.00 0.00 C ATOM 511 O LYS A 33 3.761 -11.099 -0.914 1.00 0.00 O ATOM 512 CB LYS A 33 5.291 -10.451 1.911 1.00 0.00 C ATOM 513 CG LYS A 33 4.351 -10.014 3.041 1.00 0.00 C ATOM 514 CD LYS A 33 3.578 -11.226 3.561 1.00 0.00 C ATOM 515 CE LYS A 33 2.531 -11.647 2.528 1.00 0.00 C ATOM 516 NZ LYS A 33 1.811 -12.790 3.154 1.00 0.00 N ATOM 0 H LYS A 33 3.734 -7.960 0.864 1.00 0.00 H new ATOM 0 HA LYS A 33 5.739 -9.766 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.206 -11.526 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.326 -10.251 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.924 -9.561 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.657 -9.256 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.263 -12.051 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.094 -10.983 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.849 -10.828 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.999 -11.942 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.075 -13.135 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.484 -13.557 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.370 -12.478 4.042 1.00 0.00 H new ATOM 530 N ALA A 34 2.529 -9.884 0.452 1.00 0.00 N ATOM 531 CA ALA A 34 1.256 -10.409 -0.122 1.00 0.00 C ATOM 532 C ALA A 34 1.378 -10.521 -1.647 1.00 0.00 C ATOM 533 O ALA A 34 1.112 -9.581 -2.370 1.00 0.00 O ATOM 534 CB ALA A 34 0.207 -9.363 0.246 1.00 0.00 C ATOM 0 H ALA A 34 2.415 -9.209 1.208 1.00 0.00 H new ATOM 0 HA ALA A 34 1.004 -11.400 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.765 -9.671 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.153 -9.267 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.482 -8.403 -0.190 1.00 0.00 H new ATOM 540 N THR A 35 1.792 -11.654 -2.141 1.00 0.00 N ATOM 541 CA THR A 35 1.948 -11.813 -3.616 1.00 0.00 C ATOM 542 C THR A 35 0.761 -11.190 -4.351 1.00 0.00 C ATOM 543 O THR A 35 -0.378 -11.348 -3.956 1.00 0.00 O ATOM 544 CB THR A 35 1.997 -13.323 -3.851 1.00 0.00 C ATOM 545 OG1 THR A 35 1.474 -13.995 -2.715 1.00 0.00 O ATOM 546 CG2 THR A 35 3.445 -13.755 -4.076 1.00 0.00 C ATOM 0 H THR A 35 2.029 -12.478 -1.588 1.00 0.00 H new ATOM 0 HA THR A 35 2.842 -11.314 -3.989 1.00 0.00 H new ATOM 0 HB THR A 35 1.401 -13.575 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.648 -14.956 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.482 -14.831 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.848 -13.238 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.040 -13.504 -3.198 1.00 0.00 H new ATOM 554 N LYS A 36 1.019 -10.487 -5.423 1.00 0.00 N ATOM 555 CA LYS A 36 -0.095 -9.857 -6.189 1.00 0.00 C ATOM 556 C LYS A 36 -1.263 -10.838 -6.303 1.00 0.00 C ATOM 557 O LYS A 36 -2.414 -10.465 -6.198 1.00 0.00 O ATOM 558 CB LYS A 36 0.493 -9.554 -7.568 1.00 0.00 C ATOM 559 CG LYS A 36 0.933 -8.090 -7.625 1.00 0.00 C ATOM 560 CD LYS A 36 -0.056 -7.291 -8.477 1.00 0.00 C ATOM 561 CE LYS A 36 -0.002 -5.815 -8.077 1.00 0.00 C ATOM 562 NZ LYS A 36 0.148 -5.075 -9.361 1.00 0.00 N ATOM 0 H LYS A 36 1.952 -10.322 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.477 -8.957 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.343 -10.208 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.248 -9.753 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.980 -7.674 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.935 -8.017 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.187 -7.401 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.066 -7.679 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.909 -5.515 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.835 -5.618 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.694 -4.205 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.647 -5.673 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.792 -4.830 -9.732 1.00 0.00 H new ATOM 576 N THR A 37 -0.971 -12.094 -6.505 1.00 0.00 N ATOM 577 CA THR A 37 -2.063 -13.101 -6.611 1.00 0.00 C ATOM 578 C THR A 37 -2.639 -13.384 -5.223 1.00 0.00 C ATOM 579 O THR A 37 -3.818 -13.627 -5.067 1.00 0.00 O ATOM 580 CB THR A 37 -1.403 -14.342 -7.186 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.109 -14.130 -8.560 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.338 -15.545 -7.041 1.00 0.00 C ATOM 0 H THR A 37 -0.026 -12.465 -6.601 1.00 0.00 H new ATOM 0 HA THR A 37 -2.888 -12.761 -7.237 1.00 0.00 H new ATOM 0 HB THR A 37 -0.479 -14.541 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.682 -14.930 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.858 -16.431 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.557 -15.711 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.267 -15.351 -7.578 1.00 0.00 H new ATOM 590 N GLU A 38 -1.814 -13.345 -4.210 1.00 0.00 N ATOM 591 CA GLU A 38 -2.323 -13.601 -2.833 1.00 0.00 C ATOM 592 C GLU A 38 -3.383 -12.560 -2.483 1.00 0.00 C ATOM 593 O GLU A 38 -4.430 -12.877 -1.955 1.00 0.00 O ATOM 594 CB GLU A 38 -1.107 -13.463 -1.918 1.00 0.00 C ATOM 595 CG GLU A 38 -0.620 -14.853 -1.505 1.00 0.00 C ATOM 596 CD GLU A 38 -1.624 -15.480 -0.537 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.812 -15.370 -0.794 1.00 0.00 O ATOM 598 OE2 GLU A 38 -1.190 -16.059 0.444 1.00 0.00 O ATOM 0 H GLU A 38 -0.815 -13.148 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.784 -14.584 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.311 -12.925 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.367 -12.880 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.504 -15.485 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.360 -14.781 -1.033 1.00 0.00 H new ATOM 605 N ILE A 39 -3.130 -11.318 -2.795 1.00 0.00 N ATOM 606 CA ILE A 39 -4.137 -10.265 -2.500 1.00 0.00 C ATOM 607 C ILE A 39 -5.443 -10.637 -3.199 1.00 0.00 C ATOM 608 O ILE A 39 -6.525 -10.337 -2.741 1.00 0.00 O ATOM 609 CB ILE A 39 -3.550 -8.975 -3.079 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.495 -8.424 -2.118 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.659 -7.938 -3.263 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.439 -7.646 -2.907 1.00 0.00 C ATOM 0 H ILE A 39 -2.273 -10.990 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.348 -10.153 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.093 -9.188 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.965 -7.774 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.026 -9.241 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.236 -7.022 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.413 -8.329 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.120 -7.723 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.688 -7.254 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.961 -8.310 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.915 -6.820 -3.435 1.00 0.00 H new ATOM 624 N LYS A 40 -5.342 -11.313 -4.306 1.00 0.00 N ATOM 625 CA LYS A 40 -6.566 -11.733 -5.034 1.00 0.00 C ATOM 626 C LYS A 40 -7.334 -12.756 -4.195 1.00 0.00 C ATOM 627 O LYS A 40 -8.540 -12.700 -4.070 1.00 0.00 O ATOM 628 CB LYS A 40 -6.050 -12.385 -6.315 1.00 0.00 C ATOM 629 CG LYS A 40 -7.210 -12.571 -7.290 1.00 0.00 C ATOM 630 CD LYS A 40 -6.664 -12.804 -8.700 1.00 0.00 C ATOM 631 CE LYS A 40 -7.789 -13.307 -9.607 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.123 -14.227 -10.571 1.00 0.00 N ATOM 0 H LYS A 40 -4.462 -11.593 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.241 -10.902 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.277 -11.764 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.593 -13.348 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.824 -13.417 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.852 -11.690 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.248 -11.878 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.853 -13.531 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.557 -13.825 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.279 -12.481 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.831 -14.613 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.401 -13.704 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.671 -15.006 -10.051 1.00 0.00 H new ATOM 646 N ASN A 41 -6.631 -13.699 -3.636 1.00 0.00 N ATOM 647 CA ASN A 41 -7.290 -14.753 -2.814 1.00 0.00 C ATOM 648 C ASN A 41 -7.756 -14.215 -1.453 1.00 0.00 C ATOM 649 O ASN A 41 -8.852 -14.503 -1.019 1.00 0.00 O ATOM 650 CB ASN A 41 -6.217 -15.824 -2.619 1.00 0.00 C ATOM 651 CG ASN A 41 -6.320 -16.859 -3.741 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.414 -18.043 -3.484 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.306 -16.459 -4.983 1.00 0.00 N ATOM 0 H ASN A 41 -5.618 -13.786 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.185 -15.133 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.227 -15.367 -2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.343 -16.308 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.374 -17.140 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.227 -15.465 -5.198 1.00 0.00 H new ATOM 660 N ALA A 42 -6.940 -13.461 -0.757 1.00 0.00 N ATOM 661 CA ALA A 42 -7.385 -12.965 0.582 1.00 0.00 C ATOM 662 C ALA A 42 -8.675 -12.147 0.449 1.00 0.00 C ATOM 663 O ALA A 42 -9.649 -12.396 1.131 1.00 0.00 O ATOM 664 CB ALA A 42 -6.250 -12.079 1.113 1.00 0.00 C ATOM 0 H ALA A 42 -6.006 -13.173 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.593 -13.794 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.522 -11.688 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.337 -12.669 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.083 -11.250 0.425 1.00 0.00 H new ATOM 670 N VAL A 43 -8.691 -11.180 -0.425 1.00 0.00 N ATOM 671 CA VAL A 43 -9.919 -10.352 -0.596 1.00 0.00 C ATOM 672 C VAL A 43 -11.096 -11.231 -1.049 1.00 0.00 C ATOM 673 O VAL A 43 -12.180 -11.155 -0.506 1.00 0.00 O ATOM 674 CB VAL A 43 -9.530 -9.295 -1.651 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.431 -9.383 -2.889 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.666 -7.902 -1.035 1.00 0.00 C ATOM 0 H VAL A 43 -7.908 -10.927 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.251 -9.879 0.328 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.502 -9.482 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.130 -8.625 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.336 -10.371 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.468 -9.215 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.393 -7.149 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.697 -7.743 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.005 -7.820 -0.172 1.00 0.00 H new ATOM 686 N GLU A 44 -10.891 -12.068 -2.030 1.00 0.00 N ATOM 687 CA GLU A 44 -12.005 -12.944 -2.496 1.00 0.00 C ATOM 688 C GLU A 44 -12.505 -13.800 -1.330 1.00 0.00 C ATOM 689 O GLU A 44 -13.691 -13.959 -1.126 1.00 0.00 O ATOM 690 CB GLU A 44 -11.397 -13.824 -3.589 1.00 0.00 C ATOM 691 CG GLU A 44 -11.976 -13.423 -4.948 1.00 0.00 C ATOM 692 CD GLU A 44 -13.220 -14.263 -5.241 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.086 -14.323 -4.384 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.286 -14.831 -6.319 1.00 0.00 O ATOM 0 H GLU A 44 -10.007 -12.183 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.856 -12.374 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.313 -13.715 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.610 -14.874 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.232 -12.363 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.232 -13.571 -5.730 1.00 0.00 H new ATOM 701 N THR A 45 -11.602 -14.340 -0.559 1.00 0.00 N ATOM 702 CA THR A 45 -12.011 -15.176 0.602 1.00 0.00 C ATOM 703 C THR A 45 -12.557 -14.277 1.722 1.00 0.00 C ATOM 704 O THR A 45 -13.171 -14.742 2.662 1.00 0.00 O ATOM 705 CB THR A 45 -10.729 -15.919 1.007 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.971 -17.318 0.972 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.290 -15.519 2.411 1.00 0.00 C ATOM 0 H THR A 45 -10.595 -14.237 -0.684 1.00 0.00 H new ATOM 0 HA THR A 45 -12.812 -15.880 0.377 1.00 0.00 H new ATOM 0 HB THR A 45 -9.936 -15.655 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.156 -17.798 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.380 -16.058 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.098 -14.447 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.078 -15.766 3.123 1.00 0.00 H new ATOM 715 N ALA A 46 -12.334 -12.995 1.623 1.00 0.00 N ATOM 716 CA ALA A 46 -12.834 -12.065 2.677 1.00 0.00 C ATOM 717 C ALA A 46 -14.092 -11.335 2.191 1.00 0.00 C ATOM 718 O ALA A 46 -15.180 -11.563 2.681 1.00 0.00 O ATOM 719 CB ALA A 46 -11.693 -11.073 2.904 1.00 0.00 C ATOM 0 H ALA A 46 -11.827 -12.550 0.858 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.107 -12.590 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.984 -10.353 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.803 -11.611 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.477 -10.547 1.974 1.00 0.00 H new ATOM 725 N PHE A 47 -13.950 -10.458 1.232 1.00 0.00 N ATOM 726 CA PHE A 47 -15.141 -9.717 0.721 1.00 0.00 C ATOM 727 C PHE A 47 -16.032 -10.654 -0.099 1.00 0.00 C ATOM 728 O PHE A 47 -17.207 -10.407 -0.285 1.00 0.00 O ATOM 729 CB PHE A 47 -14.569 -8.608 -0.162 1.00 0.00 C ATOM 730 CG PHE A 47 -14.232 -7.410 0.693 1.00 0.00 C ATOM 731 CD1 PHE A 47 -15.252 -6.705 1.343 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.900 -7.006 0.836 1.00 0.00 C ATOM 733 CE1 PHE A 47 -14.939 -5.595 2.137 1.00 0.00 C ATOM 734 CE2 PHE A 47 -12.587 -5.895 1.630 1.00 0.00 C ATOM 735 CZ PHE A 47 -13.606 -5.190 2.281 1.00 0.00 C ATOM 0 H PHE A 47 -13.065 -10.223 0.782 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.757 -9.317 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.677 -8.963 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.292 -8.330 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.280 -7.017 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.114 -7.550 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.726 -5.051 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.559 -5.582 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.365 -4.334 2.894 1.00 0.00 H new ATOM 745 N LYS A 48 -15.478 -11.726 -0.589 1.00 0.00 N ATOM 746 CA LYS A 48 -16.282 -12.685 -1.399 1.00 0.00 C ATOM 747 C LYS A 48 -16.790 -12.000 -2.662 1.00 0.00 C ATOM 748 O LYS A 48 -17.930 -12.154 -3.056 1.00 0.00 O ATOM 749 CB LYS A 48 -17.447 -13.098 -0.498 1.00 0.00 C ATOM 750 CG LYS A 48 -16.917 -13.443 0.896 1.00 0.00 C ATOM 751 CD LYS A 48 -17.757 -14.572 1.497 1.00 0.00 C ATOM 752 CE LYS A 48 -16.836 -15.705 1.956 1.00 0.00 C ATOM 753 NZ LYS A 48 -17.380 -16.930 1.307 1.00 0.00 N ATOM 0 H LYS A 48 -14.499 -11.982 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.699 -13.549 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.174 -12.289 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.964 -13.957 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.872 -13.746 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.956 -12.564 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.339 -14.198 2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.468 -14.943 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.805 -15.523 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.838 -15.800 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.800 -17.751 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.360 -17.082 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.360 -16.814 0.274 1.00 0.00 H new ATOM 767 N VAL A 49 -15.946 -11.244 -3.297 1.00 0.00 N ATOM 768 CA VAL A 49 -16.354 -10.539 -4.536 1.00 0.00 C ATOM 769 C VAL A 49 -15.581 -11.098 -5.734 1.00 0.00 C ATOM 770 O VAL A 49 -15.051 -12.190 -5.689 1.00 0.00 O ATOM 771 CB VAL A 49 -16.005 -9.066 -4.268 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.642 -8.701 -4.869 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.083 -8.185 -4.879 1.00 0.00 C ATOM 0 H VAL A 49 -14.981 -11.083 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.410 -10.662 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.952 -8.909 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.422 -7.653 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.869 -9.328 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.665 -8.862 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.845 -7.138 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.132 -8.362 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.046 -8.423 -4.428 1.00 0.00 H new ATOM 783 N LYS A 50 -15.505 -10.351 -6.796 1.00 0.00 N ATOM 784 CA LYS A 50 -14.754 -10.833 -7.988 1.00 0.00 C ATOM 785 C LYS A 50 -13.584 -9.894 -8.282 1.00 0.00 C ATOM 786 O LYS A 50 -13.762 -8.803 -8.788 1.00 0.00 O ATOM 787 CB LYS A 50 -15.760 -10.813 -9.139 1.00 0.00 C ATOM 788 CG LYS A 50 -15.187 -11.605 -10.317 1.00 0.00 C ATOM 789 CD LYS A 50 -14.065 -10.799 -10.973 1.00 0.00 C ATOM 790 CE LYS A 50 -14.110 -11.000 -12.489 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.114 -12.072 -12.765 1.00 0.00 N ATOM 0 H LYS A 50 -15.929 -9.428 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.338 -11.829 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.707 -11.247 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.966 -9.786 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.806 -12.566 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.971 -11.816 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.174 -9.741 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.098 -11.117 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.107 -11.293 -12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.857 -10.081 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.087 -12.266 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.174 -11.762 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.385 -12.937 -12.255 1.00 0.00 H new ATOM 805 N VAL A 51 -12.388 -10.308 -7.970 1.00 0.00 N ATOM 806 CA VAL A 51 -11.210 -9.436 -8.232 1.00 0.00 C ATOM 807 C VAL A 51 -10.834 -9.505 -9.713 1.00 0.00 C ATOM 808 O VAL A 51 -10.519 -10.554 -10.238 1.00 0.00 O ATOM 809 CB VAL A 51 -10.094 -10.012 -7.361 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.740 -9.486 -7.843 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.317 -9.586 -5.908 1.00 0.00 C ATOM 0 H VAL A 51 -12.176 -11.211 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.402 -8.388 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.104 -11.100 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.947 -9.899 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.581 -9.786 -8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.727 -8.398 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.523 -9.995 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.307 -8.498 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.280 -9.961 -5.563 1.00 0.00 H new ATOM 821 N VAL A 52 -10.872 -8.392 -10.392 1.00 0.00 N ATOM 822 CA VAL A 52 -10.524 -8.392 -11.839 1.00 0.00 C ATOM 823 C VAL A 52 -9.233 -7.605 -12.073 1.00 0.00 C ATOM 824 O VAL A 52 -8.872 -7.303 -13.193 1.00 0.00 O ATOM 825 CB VAL A 52 -11.707 -7.709 -12.525 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.806 -6.258 -12.063 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.504 -7.730 -14.032 1.00 0.00 C ATOM 0 H VAL A 52 -11.129 -7.483 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.353 -9.396 -12.226 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.622 -8.241 -12.265 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.651 -5.776 -12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.951 -6.229 -10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.887 -5.731 -12.320 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.348 -7.243 -14.520 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.585 -7.200 -14.283 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.433 -8.762 -14.375 1.00 0.00 H new ATOM 837 N LYS A 53 -8.534 -7.272 -11.023 1.00 0.00 N ATOM 838 CA LYS A 53 -7.264 -6.505 -11.179 1.00 0.00 C ATOM 839 C LYS A 53 -6.776 -6.016 -9.814 1.00 0.00 C ATOM 840 O LYS A 53 -7.447 -5.260 -9.139 1.00 0.00 O ATOM 841 CB LYS A 53 -7.619 -5.316 -12.071 1.00 0.00 C ATOM 842 CG LYS A 53 -6.964 -5.490 -13.443 1.00 0.00 C ATOM 843 CD LYS A 53 -6.407 -4.145 -13.914 1.00 0.00 C ATOM 844 CE LYS A 53 -5.790 -4.306 -15.305 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.806 -2.938 -15.894 1.00 0.00 N ATOM 0 H LYS A 53 -8.787 -7.498 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.468 -7.113 -11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.701 -5.241 -12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.280 -4.388 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.164 -6.228 -13.385 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.693 -5.866 -14.161 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.202 -3.400 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.656 -3.784 -13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.775 -4.697 -15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.365 -5.004 -15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.398 -2.967 -16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.786 -2.594 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.245 -2.297 -15.297 1.00 0.00 H new ATOM 859 N VAL A 54 -5.611 -6.434 -9.402 1.00 0.00 N ATOM 860 CA VAL A 54 -5.087 -5.984 -8.082 1.00 0.00 C ATOM 861 C VAL A 54 -3.719 -5.318 -8.258 1.00 0.00 C ATOM 862 O VAL A 54 -2.756 -5.944 -8.655 1.00 0.00 O ATOM 863 CB VAL A 54 -4.988 -7.260 -7.226 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.732 -7.228 -6.345 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.216 -7.350 -6.320 1.00 0.00 C ATOM 0 H VAL A 54 -5.001 -7.066 -9.921 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.732 -5.243 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.935 -8.122 -7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.682 -8.139 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.846 -7.159 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.774 -6.363 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.153 -8.251 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.254 -6.475 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.117 -7.388 -6.932 1.00 0.00 H new ATOM 875 N ASN A 55 -3.625 -4.058 -7.942 1.00 0.00 N ATOM 876 CA ASN A 55 -2.320 -3.358 -8.065 1.00 0.00 C ATOM 877 C ASN A 55 -1.901 -2.832 -6.694 1.00 0.00 C ATOM 878 O ASN A 55 -2.553 -1.986 -6.117 1.00 0.00 O ATOM 879 CB ASN A 55 -2.572 -2.203 -9.034 1.00 0.00 C ATOM 880 CG ASN A 55 -1.814 -2.458 -10.338 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.644 -3.592 -10.743 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.348 -1.447 -11.016 1.00 0.00 N ATOM 0 H ASN A 55 -4.397 -3.483 -7.604 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.524 -4.010 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.639 -2.108 -9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.246 -1.263 -8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.841 -1.607 -11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.491 -0.496 -10.676 1.00 0.00 H new ATOM 889 N THR A 56 -0.819 -3.326 -6.164 1.00 0.00 N ATOM 890 CA THR A 56 -0.369 -2.850 -4.826 1.00 0.00 C ATOM 891 C THR A 56 0.995 -2.172 -4.943 1.00 0.00 C ATOM 892 O THR A 56 1.794 -2.499 -5.798 1.00 0.00 O ATOM 893 CB THR A 56 -0.281 -4.093 -3.912 1.00 0.00 C ATOM 894 OG1 THR A 56 0.898 -4.008 -3.127 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.245 -5.385 -4.732 1.00 0.00 C ATOM 0 H THR A 56 -0.228 -4.036 -6.596 1.00 0.00 H new ATOM 0 HA THR A 56 -1.065 -2.119 -4.414 1.00 0.00 H new ATOM 0 HB THR A 56 -1.166 -4.115 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.875 -3.188 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.183 -6.241 -4.060 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.151 -5.460 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.625 -5.375 -5.388 1.00 0.00 H new ATOM 903 N LEU A 57 1.263 -1.223 -4.092 1.00 0.00 N ATOM 904 CA LEU A 57 2.572 -0.512 -4.151 1.00 0.00 C ATOM 905 C LEU A 57 2.997 -0.075 -2.747 1.00 0.00 C ATOM 906 O LEU A 57 2.173 0.206 -1.899 1.00 0.00 O ATOM 907 CB LEU A 57 2.332 0.710 -5.050 1.00 0.00 C ATOM 908 CG LEU A 57 0.927 1.272 -4.816 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.973 2.800 -4.859 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.014 0.760 -5.909 1.00 0.00 C ATOM 0 H LEU A 57 0.631 -0.907 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 57 3.367 -1.147 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.078 1.477 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.449 0.429 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 57 0.564 0.948 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.028 3.199 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.644 3.166 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.336 3.126 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.015 1.159 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.350 1.085 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.048 -0.329 -5.879 1.00 0.00 H new ATOM 922 N HIS A 58 4.276 -0.020 -2.491 1.00 0.00 N ATOM 923 CA HIS A 58 4.748 0.393 -1.137 1.00 0.00 C ATOM 924 C HIS A 58 4.404 1.858 -0.872 1.00 0.00 C ATOM 925 O HIS A 58 4.715 2.737 -1.652 1.00 0.00 O ATOM 926 CB HIS A 58 6.262 0.187 -1.161 1.00 0.00 C ATOM 927 CG HIS A 58 6.598 -1.114 -0.483 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.408 -2.068 -1.078 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.239 -1.635 0.738 1.00 0.00 C ATOM 930 CE1 HIS A 58 7.509 -3.103 -0.225 1.00 0.00 C ATOM 931 NE2 HIS A 58 6.816 -2.891 0.897 1.00 0.00 N ATOM 0 H HIS A 58 5.014 -0.243 -3.159 1.00 0.00 H new ATOM 0 HA HIS A 58 4.273 -0.185 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.623 0.178 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.761 1.013 -0.655 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.848 -1.998 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.606 -1.144 1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.081 -3.997 -0.423 1.00 0.00 H new ATOM 939 N VAL A 59 3.758 2.117 0.228 1.00 0.00 N ATOM 940 CA VAL A 59 3.377 3.517 0.571 1.00 0.00 C ATOM 941 C VAL A 59 4.007 3.925 1.903 1.00 0.00 C ATOM 942 O VAL A 59 4.033 3.162 2.847 1.00 0.00 O ATOM 943 CB VAL A 59 1.848 3.513 0.689 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.227 3.822 -0.673 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.348 2.148 1.177 1.00 0.00 C ATOM 0 H VAL A 59 3.474 1.414 0.911 1.00 0.00 H new ATOM 0 HA VAL A 59 3.723 4.225 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 59 1.554 4.275 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.140 3.819 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.561 4.803 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.536 3.065 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.261 2.165 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.649 1.376 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.778 1.931 2.155 1.00 0.00 H new ATOM 1245 N ARG A 76 5.327 0.373 4.127 1.00 0.00 N ATOM 1246 CA ARG A 76 3.931 -0.145 4.058 1.00 0.00 C ATOM 1247 C ARG A 76 3.544 -0.423 2.603 1.00 0.00 C ATOM 1248 O ARG A 76 4.028 0.215 1.691 1.00 0.00 O ATOM 1249 CB ARG A 76 3.056 0.962 4.646 1.00 0.00 C ATOM 1250 CG ARG A 76 1.690 0.388 5.030 1.00 0.00 C ATOM 1251 CD ARG A 76 1.882 -0.875 5.873 1.00 0.00 C ATOM 1252 NE ARG A 76 0.905 -0.746 6.989 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.346 -1.812 7.493 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.087 -2.760 7.996 1.00 0.00 N ATOM 1255 NH2 ARG A 76 -0.953 -1.929 7.495 1.00 0.00 N ATOM 0 HA ARG A 76 3.814 -1.081 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.539 1.395 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.933 1.766 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.118 1.128 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.117 0.155 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.694 -1.774 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.903 -0.947 6.248 1.00 0.00 H new ATOM 0 HE ARG A 76 0.673 0.175 7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.103 -2.668 7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.651 -3.593 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.532 -1.187 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.389 -2.762 7.889 1.00 0.00 H new ATOM 1269 N LYS A 77 2.681 -1.375 2.379 1.00 0.00 N ATOM 1270 CA LYS A 77 2.273 -1.695 0.981 1.00 0.00 C ATOM 1271 C LYS A 77 0.754 -1.581 0.826 1.00 0.00 C ATOM 1272 O LYS A 77 -0.001 -2.194 1.552 1.00 0.00 O ATOM 1273 CB LYS A 77 2.729 -3.137 0.759 1.00 0.00 C ATOM 1274 CG LYS A 77 2.130 -3.670 -0.544 1.00 0.00 C ATOM 1275 CD LYS A 77 2.611 -5.104 -0.776 1.00 0.00 C ATOM 1276 CE LYS A 77 1.510 -5.907 -1.473 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.029 -6.158 -2.846 1.00 0.00 N ATOM 0 H LYS A 77 2.241 -1.945 3.102 1.00 0.00 H new ATOM 0 HA LYS A 77 2.713 -1.009 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.817 -3.182 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.417 -3.761 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.041 -3.644 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.426 -3.036 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.515 -5.101 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.869 -5.570 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.311 -6.842 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.573 -5.351 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.581 -7.011 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.810 -5.343 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.059 -6.295 -2.808 1.00 0.00 H new ATOM 1291 N LYS A 78 0.303 -0.806 -0.123 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.166 -0.660 -0.332 1.00 0.00 C ATOM 1293 C LYS A 78 -1.600 -1.517 -1.528 1.00 0.00 C ATOM 1294 O LYS A 78 -0.818 -1.773 -2.419 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.391 0.827 -0.606 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.746 1.210 -1.937 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.691 2.127 -2.713 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.504 3.572 -2.245 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.379 4.382 -3.137 1.00 0.00 N ATOM 0 H LYS A 78 0.888 -0.268 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.749 -0.992 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.459 1.044 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.965 1.424 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.205 1.714 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.530 0.315 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.491 2.052 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.724 1.815 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.790 3.688 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.462 3.882 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.305 5.386 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.079 4.257 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.365 4.070 -3.033 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.823 -1.986 -1.551 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.255 -2.847 -2.697 1.00 0.00 C ATOM 1315 C ALA A 79 -4.528 -2.343 -3.359 1.00 0.00 C ATOM 1316 O ALA A 79 -5.572 -2.272 -2.749 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.519 -4.215 -2.092 1.00 0.00 C ATOM 0 H ALA A 79 -3.532 -1.814 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.488 -2.853 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.841 -4.903 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.606 -4.591 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.300 -4.134 -1.336 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.447 -2.036 -4.619 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.648 -1.565 -5.353 1.00 0.00 C ATOM 1325 C ILE A 80 -6.290 -2.743 -6.083 1.00 0.00 C ATOM 1326 O ILE A 80 -5.728 -3.294 -7.008 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.124 -0.535 -6.345 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.830 0.770 -5.607 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.180 -0.281 -7.420 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.851 0.515 -4.462 1.00 0.00 C ATOM 0 H ILE A 80 -3.594 -2.092 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.406 -1.138 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.212 -0.907 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.411 1.502 -6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.756 1.193 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.806 0.456 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.397 -1.212 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.091 0.094 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.648 1.451 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.286 -0.201 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.920 0.112 -4.862 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.456 -3.136 -5.670 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.130 -4.288 -6.332 1.00 0.00 C ATOM 1344 C VAL A 81 -9.386 -3.827 -7.068 1.00 0.00 C ATOM 1345 O VAL A 81 -10.258 -3.206 -6.494 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.501 -5.235 -5.192 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.100 -6.519 -5.770 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.247 -5.577 -4.383 1.00 0.00 C ATOM 0 H VAL A 81 -7.976 -2.711 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.489 -4.764 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.232 -4.753 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.365 -7.195 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.993 -6.277 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.369 -7.001 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.512 -6.253 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.516 -6.059 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.819 -4.663 -3.971 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.501 -4.140 -8.329 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.712 -3.731 -9.078 1.00 0.00 C ATOM 1360 C GLN A 82 -11.628 -4.928 -9.220 1.00 0.00 C ATOM 1361 O GLN A 82 -11.179 -6.056 -9.264 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.202 -3.292 -10.448 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.369 -3.165 -11.433 1.00 0.00 C ATOM 1364 CD GLN A 82 -12.052 -1.809 -11.245 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.399 -0.785 -11.220 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -13.348 -1.759 -11.111 1.00 0.00 N ATOM 0 H GLN A 82 -8.809 -4.660 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.270 -2.936 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.684 -2.337 -10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.478 -4.015 -10.823 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.007 -3.263 -12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.085 -3.970 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.896 -2.619 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.813 -0.860 -10.985 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.902 -4.712 -9.311 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.802 -5.871 -9.476 1.00 0.00 C ATOM 1377 C VAL A 83 -14.553 -5.752 -10.794 1.00 0.00 C ATOM 1378 O VAL A 83 -14.712 -4.681 -11.342 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.765 -5.881 -8.287 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.048 -5.390 -7.029 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.967 -4.981 -8.581 1.00 0.00 C ATOM 0 H VAL A 83 -13.353 -3.798 -9.279 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.242 -6.806 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.113 -6.901 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.741 -5.400 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.204 -6.045 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.687 -4.374 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.648 -4.994 -7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.624 -3.961 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.487 -5.346 -9.467 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.010 -6.847 -11.301 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.751 -6.813 -12.586 1.00 0.00 C ATOM 1393 C ALA A 84 -17.103 -6.128 -12.400 1.00 0.00 C ATOM 1394 O ALA A 84 -17.453 -5.719 -11.311 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.933 -8.275 -12.953 1.00 0.00 C ATOM 0 H ALA A 84 -14.905 -7.772 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.226 -6.255 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.475 -8.349 -13.896 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.957 -8.748 -13.058 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.498 -8.779 -12.169 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.814 -6.031 -13.482 1.00 0.00 N ATOM 1402 CA PRO A 85 -19.150 -5.392 -13.467 1.00 0.00 C ATOM 1403 C PRO A 85 -20.171 -6.305 -12.787 1.00 0.00 C ATOM 1404 O PRO A 85 -20.159 -7.508 -12.960 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.476 -5.211 -14.946 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.667 -6.242 -15.653 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.441 -6.507 -14.814 1.00 0.00 C ATOM 0 HA PRO A 85 -19.171 -4.453 -12.915 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.541 -5.349 -15.134 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.219 -4.208 -15.286 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.244 -7.157 -15.788 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.384 -5.893 -16.646 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.187 -7.567 -14.802 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.571 -5.975 -15.199 1.00 0.00 H new ATOM 1415 N GLY A 86 -21.056 -5.741 -12.015 1.00 0.00 N ATOM 1416 CA GLY A 86 -22.080 -6.571 -11.320 1.00 0.00 C ATOM 1417 C GLY A 86 -21.780 -6.609 -9.820 1.00 0.00 C ATOM 1418 O GLY A 86 -22.676 -6.684 -9.002 1.00 0.00 O ATOM 0 H GLY A 86 -21.115 -4.739 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -23.074 -6.159 -11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.080 -7.582 -11.727 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.529 -6.560 -9.451 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.180 -6.596 -8.001 1.00 0.00 C ATOM 1424 C GLN A 87 -19.648 -5.238 -7.545 1.00 0.00 C ATOM 1425 O GLN A 87 -19.438 -4.340 -8.335 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.088 -7.656 -7.872 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.020 -7.419 -8.940 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.184 -8.440 -10.068 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.231 -8.769 -10.746 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.358 -8.960 -10.302 1.00 0.00 N ATOM 0 H GLN A 87 -19.735 -6.497 -10.088 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.049 -6.825 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.640 -7.614 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.517 -8.651 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.107 -6.407 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.026 -7.505 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.160 -8.686 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.474 -9.641 -11.053 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.428 -5.087 -6.269 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.904 -3.791 -5.746 1.00 0.00 C ATOM 1441 C LYS A 88 -18.758 -3.851 -4.223 1.00 0.00 C ATOM 1442 O LYS A 88 -19.734 -3.891 -3.499 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.955 -2.752 -6.141 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.332 -3.210 -5.655 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.374 -2.934 -6.742 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.734 -2.671 -6.090 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.631 -1.297 -5.526 1.00 0.00 N ATOM 0 H LYS A 88 -19.588 -5.806 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.920 -3.553 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.707 -1.784 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.964 -2.621 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.311 -4.274 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.599 -2.685 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.073 -2.074 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.442 -3.785 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.541 -2.739 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.946 -3.403 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.845 -1.322 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -22.666 -0.935 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.309 -0.673 -6.007 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.550 -3.851 -3.725 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.359 -3.900 -2.245 1.00 0.00 C ATOM 1463 C ILE A 89 -17.951 -2.640 -1.606 1.00 0.00 C ATOM 1464 O ILE A 89 -17.240 -1.725 -1.243 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.845 -3.951 -2.037 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.297 -5.267 -2.596 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.533 -3.866 -0.541 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.849 -5.451 -2.139 1.00 0.00 C ATOM 0 H ILE A 89 -16.691 -3.819 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.855 -4.757 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.379 -3.113 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.907 -6.102 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.348 -5.261 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.454 -3.902 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.923 -2.930 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.999 -4.705 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.458 -6.388 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.244 -4.621 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.811 -5.475 -1.050 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.248 -2.589 -1.473 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.910 -1.390 -0.870 1.00 0.00 C ATOM 1482 C GLU A 90 -19.317 -1.053 0.504 1.00 0.00 C ATOM 1483 O GLU A 90 -19.550 0.013 1.040 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.380 -1.786 -0.730 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.483 -3.099 0.049 1.00 0.00 C ATOM 1486 CD GLU A 90 -21.867 -4.231 -0.906 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.566 -3.956 -1.867 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.455 -5.353 -0.659 1.00 0.00 O ATOM 0 H GLU A 90 -19.886 -3.332 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.770 -0.502 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.932 -1.000 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.833 -1.899 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.532 -3.323 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.228 -3.008 0.840 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.569 -1.947 1.088 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.988 -1.666 2.432 1.00 0.00 C ATOM 1497 C ALA A 91 -17.193 -0.353 2.424 1.00 0.00 C ATOM 1498 O ALA A 91 -16.969 0.247 3.455 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.062 -2.849 2.714 1.00 0.00 C ATOM 0 H ALA A 91 -18.335 -2.858 0.694 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.761 -1.553 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.592 -2.719 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.640 -3.773 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.292 -2.900 1.944 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.767 0.103 1.275 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.989 1.384 1.232 1.00 0.00 C ATOM 1507 C LEU A 92 -16.851 2.505 0.650 1.00 0.00 C ATOM 1508 O LEU A 92 -16.619 3.672 0.901 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.777 1.132 0.317 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.473 -0.363 0.221 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.191 -0.575 -0.585 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.293 -0.929 1.629 1.00 0.00 C ATOM 0 H LEU A 92 -16.920 -0.347 0.373 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.677 1.685 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.976 1.532 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.906 1.661 0.705 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.297 -0.874 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.976 -1.641 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.320 -0.167 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.362 -0.068 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.076 -1.995 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.467 -0.418 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.208 -0.778 2.202 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.838 2.164 -0.129 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.705 3.210 -0.730 1.00 0.00 C ATOM 1526 C GLU A 93 -19.268 4.124 0.363 1.00 0.00 C ATOM 1527 O GLU A 93 -19.576 5.275 0.125 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.825 2.437 -1.422 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.353 1.996 -2.808 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.057 1.198 -2.684 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -17.963 0.398 -1.770 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -17.180 1.398 -3.508 1.00 0.00 O ATOM 0 H GLU A 93 -18.081 1.204 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.164 3.852 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.104 1.568 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.714 3.062 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.121 1.388 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.195 2.868 -3.443 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.401 3.620 1.558 1.00 0.00 N ATOM 1540 CA GLY A 94 -19.939 4.459 2.664 1.00 0.00 C ATOM 1541 C GLY A 94 -18.780 4.982 3.513 1.00 0.00 C ATOM 1542 O GLY A 94 -18.933 5.903 4.292 1.00 0.00 O ATOM 0 H GLY A 94 -19.160 2.663 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.512 5.292 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.621 3.874 3.281 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.620 4.400 3.370 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.450 4.865 4.169 1.00 0.00 C ATOM 1548 C LEU A 95 -16.256 6.373 3.990 1.00 0.00 C ATOM 1549 O LEU A 95 -15.811 7.062 4.887 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.254 4.100 3.601 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.639 3.227 4.697 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.735 2.383 5.351 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.584 2.304 4.082 1.00 0.00 C ATOM 0 H LEU A 95 -17.432 3.624 2.735 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.579 4.685 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.571 3.480 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.510 4.799 3.218 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.172 3.863 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.298 1.761 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.487 3.039 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.202 1.747 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.146 1.682 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.051 1.668 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.803 2.904 3.615 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.589 6.892 2.840 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.424 8.356 2.608 1.00 0.00 C ATOM 1567 C ILE A 96 -16.978 9.144 3.798 1.00 0.00 C ATOM 1568 O ILE A 96 -16.338 10.103 4.197 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.234 8.652 1.345 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.518 8.057 0.130 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.367 10.165 1.166 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.473 8.038 -1.066 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.031 8.775 4.289 1.00 0.00 O ATOM 0 H ILE A 96 -16.968 6.367 2.052 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.378 8.641 2.496 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.225 8.209 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.632 8.646 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.178 7.046 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.944 10.376 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.876 10.590 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.376 10.609 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.964 7.614 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.346 7.431 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.791 9.055 -1.294 1.00 0.00 H new