USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 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 67:sc= -2.6! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 142:sc= 0.546 (180deg=-0.61) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -164:sc= -1.5! (180deg=-1.58!) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc=-0.00925 F(o=-2.3,f=-1.5) USER MOD Single : A 14 SER OG : rot -5:sc= 0.314 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.0373 (180deg=-0.444) USER MOD Single : A 18 TYR OH : rot -23:sc= -3.1! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -14:sc= -4.91! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -1.03 F(o=-1.9!,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -149:sc= -6.26! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.154 (180deg=0.112) USER MOD Single : A 41 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.485 (180deg=-2.46!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.278 F(o=-1.1,f=-0.28) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -6.92! C(o=-6.9!,f=-15!) USER MOD Single : A 87 GLN : amide:sc= -11.6! C(o=-12!,f=-21!) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.00113 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.447 -10.964 4.978 1.00 0.00 N ATOM 100 CA VAL A 7 -2.226 -10.202 3.713 1.00 0.00 C ATOM 101 C VAL A 7 -2.901 -8.822 3.796 1.00 0.00 C ATOM 102 O VAL A 7 -2.599 -8.024 4.661 1.00 0.00 O ATOM 103 CB VAL A 7 -2.882 -11.035 2.620 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.406 -10.532 1.259 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.519 -12.503 2.785 1.00 0.00 C ATOM 0 HA VAL A 7 -1.166 -10.035 3.522 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.965 -10.937 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.871 -11.123 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.685 -9.485 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.322 -10.629 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.995 -13.086 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.437 -12.620 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.864 -12.856 3.757 1.00 0.00 H new ATOM 115 N ILE A 8 -3.819 -8.542 2.901 1.00 0.00 N ATOM 116 CA ILE A 8 -4.523 -7.234 2.914 1.00 0.00 C ATOM 117 C ILE A 8 -5.183 -7.001 4.274 1.00 0.00 C ATOM 118 O ILE A 8 -5.603 -7.927 4.938 1.00 0.00 O ATOM 119 CB ILE A 8 -5.572 -7.372 1.808 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.894 -7.793 0.505 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.261 -6.032 1.581 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.744 -8.864 -0.179 1.00 0.00 C ATOM 0 H ILE A 8 -4.109 -9.176 2.156 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.857 -6.387 2.751 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.303 -8.122 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.775 -6.932 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.895 -8.179 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.007 -6.135 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.748 -5.713 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.521 -5.288 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.265 -9.169 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.840 -9.727 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.733 -8.460 -0.395 1.00 0.00 H new ATOM 134 N LEU A 9 -5.271 -5.770 4.697 1.00 0.00 N ATOM 135 CA LEU A 9 -5.895 -5.482 6.018 1.00 0.00 C ATOM 136 C LEU A 9 -7.129 -4.587 5.850 1.00 0.00 C ATOM 137 O LEU A 9 -8.199 -5.050 5.506 1.00 0.00 O ATOM 138 CB LEU A 9 -4.805 -4.764 6.817 1.00 0.00 C ATOM 139 CG LEU A 9 -3.902 -5.792 7.495 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.438 -5.410 7.271 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.199 -5.814 8.997 1.00 0.00 C ATOM 0 H LEU A 9 -4.938 -4.953 4.186 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.239 -6.387 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.216 -4.128 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.258 -4.114 7.565 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.089 -6.779 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.793 -6.143 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.227 -5.390 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.250 -4.424 7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.556 -6.547 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.010 -4.827 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.243 -6.083 9.158 1.00 0.00 H new ATOM 153 N ALA A 10 -6.995 -3.310 6.097 1.00 0.00 N ATOM 154 CA ALA A 10 -8.167 -2.396 5.960 1.00 0.00 C ATOM 155 C ALA A 10 -8.000 -1.479 4.744 1.00 0.00 C ATOM 156 O ALA A 10 -6.909 -1.303 4.240 1.00 0.00 O ATOM 157 CB ALA A 10 -8.179 -1.576 7.249 1.00 0.00 C ATOM 0 H ALA A 10 -6.126 -2.861 6.387 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.097 -2.945 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.015 -0.876 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.287 -2.244 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.244 -1.022 7.337 1.00 0.00 H new ATOM 163 N PRO A 11 -9.102 -0.920 4.320 1.00 0.00 N ATOM 164 CA PRO A 11 -9.095 0.001 3.158 1.00 0.00 C ATOM 165 C PRO A 11 -8.546 1.369 3.568 1.00 0.00 C ATOM 166 O PRO A 11 -8.558 1.732 4.728 1.00 0.00 O ATOM 167 CB PRO A 11 -10.568 0.103 2.776 1.00 0.00 C ATOM 168 CG PRO A 11 -11.323 -0.210 4.031 1.00 0.00 C ATOM 169 CD PRO A 11 -10.446 -1.095 4.880 1.00 0.00 C ATOM 0 HA PRO A 11 -8.468 -0.347 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.811 1.100 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.818 -0.599 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.575 0.706 4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.262 -0.711 3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.481 -0.801 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.765 -2.136 4.830 1.00 0.00 H new ATOM 177 N VAL A 12 -8.065 2.135 2.627 1.00 0.00 N ATOM 178 CA VAL A 12 -7.518 3.480 2.970 1.00 0.00 C ATOM 179 C VAL A 12 -8.550 4.567 2.660 1.00 0.00 C ATOM 180 O VAL A 12 -9.233 4.517 1.656 1.00 0.00 O ATOM 181 CB VAL A 12 -6.277 3.654 2.087 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.482 2.347 2.050 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.705 4.029 0.665 1.00 0.00 C ATOM 0 H VAL A 12 -8.027 1.889 1.638 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.275 3.562 4.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.653 4.446 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.601 2.475 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.171 2.081 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.107 1.553 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.821 4.152 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.333 3.239 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.266 4.963 0.688 1.00 0.00 H new ATOM 193 N LEU A 13 -8.666 5.550 3.506 1.00 0.00 N ATOM 194 CA LEU A 13 -9.650 6.638 3.247 1.00 0.00 C ATOM 195 C LEU A 13 -8.933 7.885 2.721 1.00 0.00 C ATOM 196 O LEU A 13 -8.171 8.518 3.424 1.00 0.00 O ATOM 197 CB LEU A 13 -10.296 6.921 4.601 1.00 0.00 C ATOM 198 CG LEU A 13 -11.206 5.754 4.990 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.119 5.402 3.813 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.350 4.538 5.349 1.00 0.00 C ATOM 0 H LEU A 13 -8.124 5.648 4.364 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.388 6.356 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.526 7.064 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.873 7.845 4.554 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.813 6.040 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.767 4.571 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.730 6.267 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.512 5.117 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.998 3.706 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.743 4.254 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.699 4.786 6.187 1.00 0.00 H new ATOM 212 N SER A 14 -9.174 8.243 1.491 1.00 0.00 N ATOM 213 CA SER A 14 -8.509 9.450 0.921 1.00 0.00 C ATOM 214 C SER A 14 -9.179 9.849 -0.395 1.00 0.00 C ATOM 215 O SER A 14 -9.460 9.018 -1.236 1.00 0.00 O ATOM 216 CB SER A 14 -7.061 9.026 0.677 1.00 0.00 C ATOM 217 OG SER A 14 -6.404 8.859 1.927 1.00 0.00 O ATOM 0 H SER A 14 -9.803 7.753 0.855 1.00 0.00 H new ATOM 0 HA SER A 14 -8.575 10.311 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.033 8.095 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.545 9.778 0.080 1.00 0.00 H new ATOM 0 HG SER A 14 -7.004 9.135 2.651 1.00 0.00 H new ATOM 223 N GLU A 15 -9.441 11.115 -0.580 1.00 0.00 N ATOM 224 CA GLU A 15 -10.095 11.563 -1.843 1.00 0.00 C ATOM 225 C GLU A 15 -9.468 10.845 -3.042 1.00 0.00 C ATOM 226 O GLU A 15 -10.159 10.331 -3.899 1.00 0.00 O ATOM 227 CB GLU A 15 -9.826 13.066 -1.916 1.00 0.00 C ATOM 228 CG GLU A 15 -10.862 13.812 -1.073 1.00 0.00 C ATOM 229 CD GLU A 15 -11.784 14.617 -1.991 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.359 14.942 -3.087 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.898 14.897 -1.581 1.00 0.00 O ATOM 0 H GLU A 15 -9.231 11.857 0.088 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.162 11.340 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.821 13.284 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.872 13.404 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.445 13.104 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.362 14.477 -0.368 1.00 0.00 H new ATOM 238 N LYS A 16 -8.166 10.805 -3.106 1.00 0.00 N ATOM 239 CA LYS A 16 -7.497 10.123 -4.245 1.00 0.00 C ATOM 240 C LYS A 16 -8.000 8.683 -4.368 1.00 0.00 C ATOM 241 O LYS A 16 -8.145 8.155 -5.453 1.00 0.00 O ATOM 242 CB LYS A 16 -6.007 10.145 -3.900 1.00 0.00 C ATOM 243 CG LYS A 16 -5.530 11.595 -3.792 1.00 0.00 C ATOM 244 CD LYS A 16 -4.014 11.650 -3.986 1.00 0.00 C ATOM 245 CE LYS A 16 -3.351 12.146 -2.698 1.00 0.00 C ATOM 246 NZ LYS A 16 -3.753 13.576 -2.586 1.00 0.00 N ATOM 0 H LYS A 16 -7.537 11.216 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.701 10.612 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.833 9.623 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.437 9.620 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.026 12.209 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.798 12.005 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.634 10.662 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.767 12.314 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.687 11.572 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.267 12.043 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.001 14.112 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.907 13.969 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.632 13.647 -2.035 1.00 0.00 H new ATOM 260 N ALA A 17 -8.266 8.041 -3.263 1.00 0.00 N ATOM 261 CA ALA A 17 -8.759 6.634 -3.318 1.00 0.00 C ATOM 262 C ALA A 17 -10.255 6.611 -3.637 1.00 0.00 C ATOM 263 O ALA A 17 -10.674 6.108 -4.658 1.00 0.00 O ATOM 264 CB ALA A 17 -8.505 6.066 -1.922 1.00 0.00 C ATOM 0 H ALA A 17 -8.164 8.429 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.257 6.053 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.843 5.030 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.439 6.108 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.052 6.654 -1.185 1.00 0.00 H new ATOM 270 N TYR A 18 -11.065 7.151 -2.767 1.00 0.00 N ATOM 271 CA TYR A 18 -12.533 7.155 -3.022 1.00 0.00 C ATOM 272 C TYR A 18 -12.820 7.515 -4.481 1.00 0.00 C ATOM 273 O TYR A 18 -13.831 7.135 -5.036 1.00 0.00 O ATOM 274 CB TYR A 18 -13.098 8.215 -2.077 1.00 0.00 C ATOM 275 CG TYR A 18 -13.557 7.546 -0.806 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.300 6.363 -0.875 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.235 8.100 0.438 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.725 5.732 0.302 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.659 7.471 1.614 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.404 6.287 1.546 1.00 0.00 C ATOM 281 OH TYR A 18 -14.821 5.667 2.706 1.00 0.00 O ATOM 0 H TYR A 18 -10.774 7.589 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.984 6.178 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.338 8.964 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.931 8.736 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.546 5.936 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.660 9.012 0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.299 4.819 0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.412 7.899 2.574 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.599 5.103 2.514 1.00 0.00 H new ATOM 291 N ALA A 19 -11.936 8.240 -5.109 1.00 0.00 N ATOM 292 CA ALA A 19 -12.163 8.612 -6.534 1.00 0.00 C ATOM 293 C ALA A 19 -11.593 7.523 -7.449 1.00 0.00 C ATOM 294 O ALA A 19 -12.147 7.215 -8.485 1.00 0.00 O ATOM 295 CB ALA A 19 -11.411 9.929 -6.728 1.00 0.00 C ATOM 0 H ALA A 19 -11.070 8.590 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.221 8.715 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.531 10.268 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.813 10.681 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.352 9.778 -6.517 1.00 0.00 H new ATOM 301 N GLY A 20 -10.501 6.925 -7.057 1.00 0.00 N ATOM 302 CA GLY A 20 -9.904 5.838 -7.884 1.00 0.00 C ATOM 303 C GLY A 20 -10.627 4.540 -7.551 1.00 0.00 C ATOM 304 O GLY A 20 -10.909 3.727 -8.407 1.00 0.00 O ATOM 0 H GLY A 20 -9.996 7.143 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.004 6.068 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.838 5.744 -7.677 1.00 0.00 H new ATOM 308 N PHE A 21 -10.948 4.359 -6.303 1.00 0.00 N ATOM 309 CA PHE A 21 -11.677 3.136 -5.885 1.00 0.00 C ATOM 310 C PHE A 21 -13.144 3.266 -6.304 1.00 0.00 C ATOM 311 O PHE A 21 -13.889 2.306 -6.322 1.00 0.00 O ATOM 312 CB PHE A 21 -11.502 3.095 -4.354 1.00 0.00 C ATOM 313 CG PHE A 21 -12.834 2.972 -3.646 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.722 4.053 -3.634 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.175 1.779 -2.998 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.952 3.942 -2.977 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.406 1.668 -2.341 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.294 2.750 -2.330 1.00 0.00 C ATOM 0 H PHE A 21 -10.734 5.012 -5.549 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.309 2.217 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.865 2.253 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.994 4.000 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.458 4.974 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.489 0.945 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.637 4.777 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.671 0.747 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.243 2.664 -1.822 1.00 0.00 H new ATOM 328 N ALA A 22 -13.554 4.455 -6.638 1.00 0.00 N ATOM 329 CA ALA A 22 -14.956 4.675 -7.057 1.00 0.00 C ATOM 330 C ALA A 22 -15.240 3.908 -8.349 1.00 0.00 C ATOM 331 O ALA A 22 -16.377 3.686 -8.719 1.00 0.00 O ATOM 332 CB ALA A 22 -15.053 6.179 -7.285 1.00 0.00 C ATOM 0 H ALA A 22 -12.969 5.290 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.679 4.326 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.065 6.435 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.818 6.703 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.346 6.476 -8.059 1.00 0.00 H new ATOM 338 N GLU A 23 -14.209 3.505 -9.040 1.00 0.00 N ATOM 339 CA GLU A 23 -14.402 2.754 -10.311 1.00 0.00 C ATOM 340 C GLU A 23 -14.361 1.247 -10.046 1.00 0.00 C ATOM 341 O GLU A 23 -14.541 0.444 -10.941 1.00 0.00 O ATOM 342 CB GLU A 23 -13.222 3.169 -11.189 1.00 0.00 C ATOM 343 CG GLU A 23 -13.736 3.644 -12.550 1.00 0.00 C ATOM 344 CD GLU A 23 -12.684 3.356 -13.622 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.100 2.285 -13.579 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.480 4.210 -14.469 1.00 0.00 O ATOM 0 H GLU A 23 -13.237 3.665 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.363 2.970 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.658 3.965 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.540 2.329 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.669 3.137 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.953 4.712 -12.516 1.00 0.00 H new ATOM 353 N GLY A 24 -14.119 0.859 -8.826 1.00 0.00 N ATOM 354 CA GLY A 24 -14.057 -0.582 -8.501 1.00 0.00 C ATOM 355 C GLY A 24 -12.655 -0.931 -7.995 1.00 0.00 C ATOM 356 O GLY A 24 -12.366 -2.066 -7.676 1.00 0.00 O ATOM 0 H GLY A 24 -13.961 1.487 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.800 -0.827 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.295 -1.175 -9.384 1.00 0.00 H new ATOM 360 N LYS A 25 -11.784 0.039 -7.916 1.00 0.00 N ATOM 361 CA LYS A 25 -10.401 -0.232 -7.429 1.00 0.00 C ATOM 362 C LYS A 25 -10.390 -0.253 -5.899 1.00 0.00 C ATOM 363 O LYS A 25 -11.062 0.525 -5.256 1.00 0.00 O ATOM 364 CB LYS A 25 -9.565 0.938 -7.960 1.00 0.00 C ATOM 365 CG LYS A 25 -9.503 0.872 -9.486 1.00 0.00 C ATOM 366 CD LYS A 25 -8.878 2.158 -10.029 1.00 0.00 C ATOM 367 CE LYS A 25 -9.260 2.329 -11.501 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.423 3.461 -11.986 1.00 0.00 N ATOM 0 H LYS A 25 -11.971 1.009 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.014 -1.193 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.004 1.885 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.559 0.898 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.915 0.009 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.505 0.741 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.223 3.015 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.794 2.120 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.062 1.420 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.322 2.548 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.628 3.639 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.638 4.314 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.417 3.221 -11.876 1.00 0.00 H new ATOM 382 N TYR A 26 -9.655 -1.148 -5.299 1.00 0.00 N ATOM 383 CA TYR A 26 -9.649 -1.199 -3.810 1.00 0.00 C ATOM 384 C TYR A 26 -8.230 -1.166 -3.242 1.00 0.00 C ATOM 385 O TYR A 26 -7.509 -2.143 -3.261 1.00 0.00 O ATOM 386 CB TYR A 26 -10.368 -2.497 -3.463 1.00 0.00 C ATOM 387 CG TYR A 26 -11.813 -2.365 -3.877 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.639 -1.437 -3.231 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.324 -3.154 -4.913 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.976 -1.301 -3.621 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.662 -3.014 -5.303 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.487 -2.088 -4.656 1.00 0.00 C ATOM 393 OH TYR A 26 -15.805 -1.950 -5.042 1.00 0.00 O ATOM 0 H TYR A 26 -9.066 -1.837 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.142 -0.331 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.902 -3.338 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.296 -2.696 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.244 -0.827 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.688 -3.870 -5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.614 -0.587 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.057 -3.621 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.293 -1.440 -4.363 1.00 0.00 H new ATOM 403 N THR A 27 -7.849 -0.037 -2.711 1.00 0.00 N ATOM 404 CA THR A 27 -6.506 0.113 -2.106 1.00 0.00 C ATOM 405 C THR A 27 -6.511 -0.499 -0.713 1.00 0.00 C ATOM 406 O THR A 27 -7.466 -0.378 0.029 1.00 0.00 O ATOM 407 CB THR A 27 -6.270 1.622 -2.032 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.826 2.244 -3.182 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.768 1.904 -1.972 1.00 0.00 C ATOM 0 H THR A 27 -8.428 0.802 -2.673 1.00 0.00 H new ATOM 0 HA THR A 27 -5.725 -0.386 -2.680 1.00 0.00 H new ATOM 0 HB THR A 27 -6.747 2.021 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.677 3.211 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.602 2.980 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.343 1.427 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.287 1.506 -2.865 1.00 0.00 H new ATOM 417 N PHE A 28 -5.461 -1.168 -0.357 1.00 0.00 N ATOM 418 CA PHE A 28 -5.410 -1.806 0.984 1.00 0.00 C ATOM 419 C PHE A 28 -4.022 -1.657 1.590 1.00 0.00 C ATOM 420 O PHE A 28 -3.069 -1.383 0.900 1.00 0.00 O ATOM 421 CB PHE A 28 -5.678 -3.282 0.726 1.00 0.00 C ATOM 422 CG PHE A 28 -7.105 -3.502 0.288 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.138 -2.727 0.824 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.389 -4.495 -0.656 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.459 -2.944 0.414 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.710 -4.713 -1.066 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.745 -3.937 -0.530 1.00 0.00 C ATOM 0 H PHE A 28 -4.632 -1.303 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.126 -1.355 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.997 -3.651 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.479 -3.855 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.917 -1.962 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.590 -5.093 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.258 -2.345 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.930 -5.479 -1.795 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.764 -4.105 -0.845 1.00 0.00 H new ATOM 437 N TRP A 29 -3.894 -1.895 2.862 1.00 0.00 N ATOM 438 CA TRP A 29 -2.555 -1.834 3.497 1.00 0.00 C ATOM 439 C TRP A 29 -2.139 -3.276 3.737 1.00 0.00 C ATOM 440 O TRP A 29 -2.851 -4.032 4.367 1.00 0.00 O ATOM 441 CB TRP A 29 -2.752 -1.087 4.819 1.00 0.00 C ATOM 442 CG TRP A 29 -3.003 0.362 4.544 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.209 0.968 4.630 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.054 1.395 4.144 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.063 2.306 4.310 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.753 2.617 4.002 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.669 1.393 3.892 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.103 3.793 3.625 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.011 2.576 3.513 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.728 3.773 3.379 1.00 0.00 C ATOM 0 H TRP A 29 -4.662 -2.130 3.490 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.794 -1.330 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.591 -1.514 5.368 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.869 -1.201 5.448 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.136 0.486 4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.829 2.980 4.302 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.108 0.476 3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.660 4.713 3.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.052 2.563 3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.218 4.679 3.086 1.00 0.00 H new ATOM 461 N VAL A 30 -1.038 -3.696 3.200 1.00 0.00 N ATOM 462 CA VAL A 30 -0.666 -5.112 3.370 1.00 0.00 C ATOM 463 C VAL A 30 0.841 -5.287 3.518 1.00 0.00 C ATOM 464 O VAL A 30 1.621 -4.394 3.250 1.00 0.00 O ATOM 465 CB VAL A 30 -1.177 -5.759 2.092 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.616 -5.022 0.877 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.751 -7.207 2.048 1.00 0.00 C ATOM 0 H VAL A 30 -0.388 -3.127 2.658 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.087 -5.554 4.273 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.265 -5.703 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.986 -5.490 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.934 -3.980 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.473 -5.069 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.119 -7.667 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.337 -7.267 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.163 -7.734 2.909 1.00 0.00 H new ATOM 477 N HIS A 31 1.242 -6.440 3.960 1.00 0.00 N ATOM 478 CA HIS A 31 2.694 -6.714 4.156 1.00 0.00 C ATOM 479 C HIS A 31 3.457 -6.563 2.838 1.00 0.00 C ATOM 480 O HIS A 31 2.922 -6.807 1.775 1.00 0.00 O ATOM 481 CB HIS A 31 2.759 -8.162 4.646 1.00 0.00 C ATOM 482 CG HIS A 31 3.439 -8.209 5.986 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.717 -8.552 6.354 1.00 0.00 N flip ATOM 484 CD2 HIS A 31 2.785 -7.871 7.160 1.00 0.00 C flip ATOM 485 CE1 HIS A 31 4.856 -8.430 7.733 1.00 0.00 C flip ATOM 486 NE2 HIS A 31 3.663 -8.017 8.169 1.00 0.00 N flip ATOM 0 H HIS A 31 0.623 -7.215 4.197 1.00 0.00 H new ATOM 0 HA HIS A 31 3.148 -6.018 4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.754 -8.577 4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.304 -8.776 3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.758 -7.549 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.738 -8.627 8.324 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.444 -7.834 9.148 1.00 0.00 H new ATOM 494 N PRO A 32 4.695 -6.168 2.963 1.00 0.00 N ATOM 495 CA PRO A 32 5.564 -5.982 1.774 1.00 0.00 C ATOM 496 C PRO A 32 5.972 -7.341 1.212 1.00 0.00 C ATOM 497 O PRO A 32 7.105 -7.763 1.340 1.00 0.00 O ATOM 498 CB PRO A 32 6.774 -5.245 2.331 1.00 0.00 C ATOM 499 CG PRO A 32 6.814 -5.602 3.783 1.00 0.00 C ATOM 500 CD PRO A 32 5.395 -5.859 4.214 1.00 0.00 C ATOM 0 HA PRO A 32 5.079 -5.441 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.689 -5.551 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.678 -4.168 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.432 -6.485 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.254 -4.793 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.336 -6.688 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.964 -4.988 4.708 1.00 0.00 H new ATOM 508 N LYS A 33 5.056 -8.036 0.607 1.00 0.00 N ATOM 509 CA LYS A 33 5.388 -9.377 0.056 1.00 0.00 C ATOM 510 C LYS A 33 4.151 -10.004 -0.584 1.00 0.00 C ATOM 511 O LYS A 33 4.238 -10.723 -1.559 1.00 0.00 O ATOM 512 CB LYS A 33 5.835 -10.197 1.270 1.00 0.00 C ATOM 513 CG LYS A 33 4.910 -9.909 2.460 1.00 0.00 C ATOM 514 CD LYS A 33 4.235 -11.206 2.910 1.00 0.00 C ATOM 515 CE LYS A 33 2.892 -11.357 2.193 1.00 0.00 C ATOM 516 NZ LYS A 33 2.148 -12.377 2.984 1.00 0.00 N ATOM 0 H LYS A 33 4.091 -7.735 0.469 1.00 0.00 H new ATOM 0 HA LYS A 33 6.157 -9.331 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.814 -11.260 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.864 -9.949 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.482 -9.480 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.156 -9.174 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.876 -12.059 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.084 -11.194 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.352 -10.411 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.029 -11.680 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.214 -12.536 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.683 -13.269 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.027 -12.039 3.960 1.00 0.00 H new ATOM 530 N ALA A 34 2.998 -9.743 -0.034 1.00 0.00 N ATOM 531 CA ALA A 34 1.754 -10.328 -0.602 1.00 0.00 C ATOM 532 C ALA A 34 1.723 -10.133 -2.119 1.00 0.00 C ATOM 533 O ALA A 34 1.313 -9.101 -2.613 1.00 0.00 O ATOM 534 CB ALA A 34 0.613 -9.562 0.064 1.00 0.00 C ATOM 0 H ALA A 34 2.864 -9.149 0.785 1.00 0.00 H new ATOM 0 HA ALA A 34 1.682 -11.400 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.341 -9.937 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.664 -9.700 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.701 -8.501 -0.171 1.00 0.00 H new ATOM 540 N THR A 35 2.152 -11.115 -2.864 1.00 0.00 N ATOM 541 CA THR A 35 2.146 -10.982 -4.349 1.00 0.00 C ATOM 542 C THR A 35 0.835 -10.349 -4.819 1.00 0.00 C ATOM 543 O THR A 35 -0.116 -10.237 -4.070 1.00 0.00 O ATOM 544 CB THR A 35 2.271 -12.414 -4.874 1.00 0.00 C ATOM 545 OG1 THR A 35 1.901 -13.325 -3.849 1.00 0.00 O ATOM 546 CG2 THR A 35 3.717 -12.678 -5.298 1.00 0.00 C ATOM 0 H THR A 35 2.506 -12.003 -2.509 1.00 0.00 H new ATOM 0 HA THR A 35 2.952 -10.343 -4.710 1.00 0.00 H new ATOM 0 HB THR A 35 1.613 -12.547 -5.733 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.407 -14.158 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.806 -13.698 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.999 -11.977 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.377 -12.547 -4.441 1.00 0.00 H new ATOM 554 N LYS A 36 0.776 -9.932 -6.054 1.00 0.00 N ATOM 555 CA LYS A 36 -0.475 -9.304 -6.570 1.00 0.00 C ATOM 556 C LYS A 36 -1.621 -10.319 -6.566 1.00 0.00 C ATOM 557 O LYS A 36 -2.646 -10.110 -5.950 1.00 0.00 O ATOM 558 CB LYS A 36 -0.141 -8.877 -8.000 1.00 0.00 C ATOM 559 CG LYS A 36 1.013 -7.873 -7.976 1.00 0.00 C ATOM 560 CD LYS A 36 0.801 -6.824 -9.069 1.00 0.00 C ATOM 561 CE LYS A 36 0.594 -5.451 -8.426 1.00 0.00 C ATOM 562 NZ LYS A 36 0.619 -4.487 -9.560 1.00 0.00 N ATOM 0 H LYS A 36 1.539 -9.999 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.797 -8.463 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.133 -9.747 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.016 -8.430 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.069 -7.390 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.961 -8.389 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.663 -6.799 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.065 -7.087 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.354 -5.405 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.380 -5.231 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.756 -3.523 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.400 -4.727 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.282 -4.536 -10.077 1.00 0.00 H new ATOM 576 N THR A 37 -1.456 -11.419 -7.251 1.00 0.00 N ATOM 577 CA THR A 37 -2.540 -12.443 -7.283 1.00 0.00 C ATOM 578 C THR A 37 -2.859 -12.919 -5.863 1.00 0.00 C ATOM 579 O THR A 37 -4.001 -13.132 -5.512 1.00 0.00 O ATOM 580 CB THR A 37 -1.983 -13.578 -8.128 1.00 0.00 C ATOM 581 OG1 THR A 37 -2.091 -13.240 -9.504 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.760 -14.869 -7.854 1.00 0.00 C ATOM 0 H THR A 37 -0.621 -11.652 -7.788 1.00 0.00 H new ATOM 0 HA THR A 37 -3.470 -12.053 -7.696 1.00 0.00 H new ATOM 0 HB THR A 37 -0.935 -13.734 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.731 -13.970 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.353 -15.675 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.670 -15.131 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.811 -14.721 -8.103 1.00 0.00 H new ATOM 590 N GLU A 38 -1.858 -13.084 -5.041 1.00 0.00 N ATOM 591 CA GLU A 38 -2.114 -13.542 -3.645 1.00 0.00 C ATOM 592 C GLU A 38 -3.099 -12.589 -2.963 1.00 0.00 C ATOM 593 O GLU A 38 -4.043 -13.007 -2.326 1.00 0.00 O ATOM 594 CB GLU A 38 -0.752 -13.491 -2.955 1.00 0.00 C ATOM 595 CG GLU A 38 -0.128 -14.888 -2.947 1.00 0.00 C ATOM 596 CD GLU A 38 0.990 -14.943 -1.904 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.552 -13.900 -1.612 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.266 -16.026 -1.416 1.00 0.00 O ATOM 0 H GLU A 38 -0.878 -12.922 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.549 -14.541 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.096 -12.792 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.864 -13.126 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.888 -15.636 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.269 -15.126 -3.934 1.00 0.00 H new ATOM 605 N ILE A 39 -2.883 -11.311 -3.101 1.00 0.00 N ATOM 606 CA ILE A 39 -3.802 -10.320 -2.472 1.00 0.00 C ATOM 607 C ILE A 39 -5.238 -10.549 -2.964 1.00 0.00 C ATOM 608 O ILE A 39 -6.198 -10.277 -2.272 1.00 0.00 O ATOM 609 CB ILE A 39 -3.269 -8.960 -2.945 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.092 -8.542 -2.061 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.366 -7.896 -2.859 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.391 -7.331 -2.682 1.00 0.00 C ATOM 0 H ILE A 39 -2.106 -10.908 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.831 -10.394 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.945 -9.051 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.445 -8.297 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.389 -9.369 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.971 -6.938 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.205 -8.187 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.704 -7.804 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.553 -7.033 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.024 -7.592 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.096 -6.504 -2.762 1.00 0.00 H new ATOM 624 N LYS A 40 -5.382 -11.035 -4.165 1.00 0.00 N ATOM 625 CA LYS A 40 -6.743 -11.276 -4.734 1.00 0.00 C ATOM 626 C LYS A 40 -7.566 -12.228 -3.858 1.00 0.00 C ATOM 627 O LYS A 40 -8.724 -11.992 -3.581 1.00 0.00 O ATOM 628 CB LYS A 40 -6.472 -11.933 -6.086 1.00 0.00 C ATOM 629 CG LYS A 40 -7.784 -12.082 -6.854 1.00 0.00 C ATOM 630 CD LYS A 40 -7.728 -13.344 -7.720 1.00 0.00 C ATOM 631 CE LYS A 40 -7.301 -12.969 -9.141 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.563 -12.967 -9.933 1.00 0.00 N ATOM 0 H LYS A 40 -4.609 -11.279 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.316 -10.351 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.769 -11.330 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.010 -12.910 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.620 -12.143 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.953 -11.206 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.024 -14.059 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.704 -13.829 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.819 -11.992 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.585 -13.687 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.342 -12.819 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.048 -13.880 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.182 -12.201 -9.598 1.00 0.00 H new ATOM 646 N ASN A 41 -6.983 -13.321 -3.460 1.00 0.00 N ATOM 647 CA ASN A 41 -7.730 -14.325 -2.641 1.00 0.00 C ATOM 648 C ASN A 41 -8.267 -13.735 -1.328 1.00 0.00 C ATOM 649 O ASN A 41 -9.399 -13.975 -0.956 1.00 0.00 O ATOM 650 CB ASN A 41 -6.706 -15.422 -2.346 1.00 0.00 C ATOM 651 CG ASN A 41 -6.583 -16.345 -3.561 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.095 -17.447 -3.554 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.918 -15.940 -4.608 1.00 0.00 N ATOM 0 H ASN A 41 -6.015 -13.568 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.608 -14.687 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.738 -14.978 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.012 -15.994 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.828 -16.549 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.489 -15.015 -4.613 1.00 0.00 H new ATOM 660 N ALA A 42 -7.469 -12.999 -0.605 1.00 0.00 N ATOM 661 CA ALA A 42 -7.953 -12.444 0.697 1.00 0.00 C ATOM 662 C ALA A 42 -9.193 -11.559 0.516 1.00 0.00 C ATOM 663 O ALA A 42 -10.168 -11.712 1.225 1.00 0.00 O ATOM 664 CB ALA A 42 -6.776 -11.642 1.259 1.00 0.00 C ATOM 0 H ALA A 42 -6.510 -12.757 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.263 -13.240 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.058 -11.204 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.920 -12.302 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.510 -10.848 0.561 1.00 0.00 H new ATOM 670 N VAL A 43 -9.186 -10.637 -0.409 1.00 0.00 N ATOM 671 CA VAL A 43 -10.395 -9.775 -0.577 1.00 0.00 C ATOM 672 C VAL A 43 -11.520 -10.558 -1.256 1.00 0.00 C ATOM 673 O VAL A 43 -12.685 -10.298 -1.034 1.00 0.00 O ATOM 674 CB VAL A 43 -9.961 -8.591 -1.441 1.00 0.00 C ATOM 675 CG1 VAL A 43 -8.980 -7.723 -0.654 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.293 -9.095 -2.719 1.00 0.00 C ATOM 0 H VAL A 43 -8.412 -10.444 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.779 -9.438 0.386 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.837 -8.000 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.669 -6.878 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.464 -7.356 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.106 -8.316 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.987 -8.245 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.417 -9.691 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.997 -9.709 -3.280 1.00 0.00 H new ATOM 686 N GLU A 44 -11.194 -11.521 -2.072 1.00 0.00 N ATOM 687 CA GLU A 44 -12.270 -12.306 -2.739 1.00 0.00 C ATOM 688 C GLU A 44 -13.184 -12.915 -1.673 1.00 0.00 C ATOM 689 O GLU A 44 -14.386 -12.744 -1.698 1.00 0.00 O ATOM 690 CB GLU A 44 -11.544 -13.403 -3.520 1.00 0.00 C ATOM 691 CG GLU A 44 -11.971 -13.349 -4.988 1.00 0.00 C ATOM 692 CD GLU A 44 -13.124 -14.327 -5.222 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.389 -15.122 -4.336 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.722 -14.264 -6.284 1.00 0.00 O ATOM 0 H GLU A 44 -10.240 -11.797 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.891 -11.697 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.465 -13.270 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.777 -14.380 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.280 -12.337 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.129 -13.603 -5.632 1.00 0.00 H new ATOM 701 N THR A 45 -12.615 -13.609 -0.726 1.00 0.00 N ATOM 702 CA THR A 45 -13.440 -14.213 0.358 1.00 0.00 C ATOM 703 C THR A 45 -13.777 -13.151 1.408 1.00 0.00 C ATOM 704 O THR A 45 -14.900 -13.037 1.857 1.00 0.00 O ATOM 705 CB THR A 45 -12.558 -15.305 0.963 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.455 -14.705 1.629 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.048 -16.226 -0.145 1.00 0.00 C ATOM 0 H THR A 45 -11.613 -13.784 -0.656 1.00 0.00 H new ATOM 0 HA THR A 45 -14.385 -14.612 -0.010 1.00 0.00 H new ATOM 0 HB THR A 45 -13.140 -15.889 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.889 -15.404 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.419 -17.004 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.895 -16.686 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.466 -15.646 -0.861 1.00 0.00 H new ATOM 715 N ALA A 46 -12.803 -12.375 1.804 1.00 0.00 N ATOM 716 CA ALA A 46 -13.049 -11.320 2.830 1.00 0.00 C ATOM 717 C ALA A 46 -14.133 -10.349 2.354 1.00 0.00 C ATOM 718 O ALA A 46 -15.200 -10.268 2.932 1.00 0.00 O ATOM 719 CB ALA A 46 -11.711 -10.595 2.978 1.00 0.00 C ATOM 0 H ALA A 46 -11.844 -12.427 1.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.397 -11.740 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.808 -9.800 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.948 -11.302 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.422 -10.165 2.019 1.00 0.00 H new ATOM 725 N PHE A 47 -13.874 -9.610 1.309 1.00 0.00 N ATOM 726 CA PHE A 47 -14.899 -8.647 0.812 1.00 0.00 C ATOM 727 C PHE A 47 -16.057 -9.410 0.160 1.00 0.00 C ATOM 728 O PHE A 47 -17.144 -8.893 -0.001 1.00 0.00 O ATOM 729 CB PHE A 47 -14.172 -7.780 -0.216 1.00 0.00 C ATOM 730 CG PHE A 47 -13.396 -6.701 0.500 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.077 -5.672 1.163 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.997 -6.731 0.504 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.357 -4.673 1.828 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.278 -5.731 1.170 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.958 -4.702 1.832 1.00 0.00 C ATOM 0 H PHE A 47 -13.002 -9.631 0.780 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.325 -8.043 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.498 -8.393 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.890 -7.332 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.157 -5.650 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.472 -7.525 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.882 -3.879 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.198 -5.754 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.403 -3.931 2.346 1.00 0.00 H new ATOM 745 N LYS A 48 -15.828 -10.640 -0.208 1.00 0.00 N ATOM 746 CA LYS A 48 -16.906 -11.453 -0.843 1.00 0.00 C ATOM 747 C LYS A 48 -17.247 -10.903 -2.225 1.00 0.00 C ATOM 748 O LYS A 48 -18.398 -10.743 -2.577 1.00 0.00 O ATOM 749 CB LYS A 48 -18.107 -11.336 0.098 1.00 0.00 C ATOM 750 CG LYS A 48 -18.474 -12.721 0.634 1.00 0.00 C ATOM 751 CD LYS A 48 -19.698 -13.251 -0.115 1.00 0.00 C ATOM 752 CE LYS A 48 -20.233 -14.496 0.597 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.207 -15.095 -0.358 1.00 0.00 N ATOM 0 H LYS A 48 -14.935 -11.121 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.604 -12.491 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.871 -10.666 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.956 -10.903 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.634 -13.405 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.684 -12.665 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.471 -12.484 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.431 -13.494 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.429 -15.194 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.713 -14.236 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.618 -15.955 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.964 -14.410 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.720 -15.339 -1.244 1.00 0.00 H new ATOM 767 N VAL A 49 -16.251 -10.616 -3.011 1.00 0.00 N ATOM 768 CA VAL A 49 -16.502 -10.080 -4.368 1.00 0.00 C ATOM 769 C VAL A 49 -15.628 -10.806 -5.395 1.00 0.00 C ATOM 770 O VAL A 49 -15.056 -11.842 -5.122 1.00 0.00 O ATOM 771 CB VAL A 49 -16.139 -8.592 -4.259 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.762 -8.304 -4.871 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.201 -7.778 -4.981 1.00 0.00 C ATOM 0 H VAL A 49 -15.267 -10.732 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.530 -10.220 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.097 -8.318 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.537 -7.242 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.002 -8.884 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.767 -8.582 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.956 -6.718 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.237 -8.075 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.172 -7.957 -4.520 1.00 0.00 H new ATOM 783 N LYS A 50 -15.514 -10.254 -6.568 1.00 0.00 N ATOM 784 CA LYS A 50 -14.667 -10.894 -7.614 1.00 0.00 C ATOM 785 C LYS A 50 -13.533 -9.952 -8.012 1.00 0.00 C ATOM 786 O LYS A 50 -13.753 -8.923 -8.619 1.00 0.00 O ATOM 787 CB LYS A 50 -15.597 -11.146 -8.800 1.00 0.00 C ATOM 788 CG LYS A 50 -15.337 -12.550 -9.352 1.00 0.00 C ATOM 789 CD LYS A 50 -14.613 -12.444 -10.695 1.00 0.00 C ATOM 790 CE LYS A 50 -14.567 -13.822 -11.360 1.00 0.00 C ATOM 791 NZ LYS A 50 -15.969 -14.324 -11.303 1.00 0.00 N ATOM 0 H LYS A 50 -15.970 -9.386 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.211 -11.819 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.637 -11.051 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.427 -10.400 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.736 -13.124 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.279 -13.084 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.127 -11.733 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.601 -12.066 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.214 -13.752 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.886 -14.492 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.147 -14.949 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.112 -14.854 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.627 -13.519 -11.334 1.00 0.00 H new ATOM 805 N VAL A 51 -12.321 -10.290 -7.675 1.00 0.00 N ATOM 806 CA VAL A 51 -11.179 -9.406 -8.036 1.00 0.00 C ATOM 807 C VAL A 51 -10.805 -9.603 -9.505 1.00 0.00 C ATOM 808 O VAL A 51 -10.734 -10.712 -9.996 1.00 0.00 O ATOM 809 CB VAL A 51 -10.032 -9.850 -7.134 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.779 -9.043 -7.479 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.410 -9.606 -5.671 1.00 0.00 C ATOM 0 H VAL A 51 -12.072 -11.138 -7.166 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.418 -8.351 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.837 -10.912 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.956 -9.357 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.511 -9.214 -8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.976 -7.982 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.591 -9.923 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.603 -8.544 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.306 -10.177 -5.427 1.00 0.00 H new ATOM 821 N VAL A 52 -10.562 -8.534 -10.210 1.00 0.00 N ATOM 822 CA VAL A 52 -10.189 -8.660 -11.644 1.00 0.00 C ATOM 823 C VAL A 52 -8.788 -8.093 -11.876 1.00 0.00 C ATOM 824 O VAL A 52 -8.224 -8.221 -12.944 1.00 0.00 O ATOM 825 CB VAL A 52 -11.250 -7.864 -12.404 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.082 -6.367 -12.166 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.122 -8.145 -13.895 1.00 0.00 C ATOM 0 H VAL A 52 -10.606 -7.579 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.159 -9.697 -11.979 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.232 -8.170 -12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.849 -5.823 -12.717 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.181 -6.154 -11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.096 -6.052 -12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.878 -7.578 -14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.131 -7.849 -14.237 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.266 -9.210 -14.078 1.00 0.00 H new ATOM 837 N LYS A 53 -8.217 -7.478 -10.878 1.00 0.00 N ATOM 838 CA LYS A 53 -6.847 -6.914 -11.034 1.00 0.00 C ATOM 839 C LYS A 53 -6.373 -6.319 -9.698 1.00 0.00 C ATOM 840 O LYS A 53 -7.083 -5.566 -9.061 1.00 0.00 O ATOM 841 CB LYS A 53 -6.987 -5.838 -12.127 1.00 0.00 C ATOM 842 CG LYS A 53 -7.114 -4.451 -11.502 1.00 0.00 C ATOM 843 CD LYS A 53 -7.588 -3.450 -12.559 1.00 0.00 C ATOM 844 CE LYS A 53 -6.597 -2.287 -12.642 1.00 0.00 C ATOM 845 NZ LYS A 53 -6.912 -1.604 -13.927 1.00 0.00 N ATOM 0 H LYS A 53 -8.640 -7.341 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.105 -7.662 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.120 -5.867 -12.787 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.863 -6.048 -12.741 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.819 -4.479 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.154 -4.136 -11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.671 -3.941 -13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.580 -3.078 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.712 -1.609 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.567 -2.644 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.273 -0.794 -14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.787 -2.272 -14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.896 -1.269 -13.910 1.00 0.00 H new ATOM 859 N VAL A 54 -5.183 -6.643 -9.271 1.00 0.00 N ATOM 860 CA VAL A 54 -4.688 -6.080 -7.982 1.00 0.00 C ATOM 861 C VAL A 54 -3.363 -5.344 -8.199 1.00 0.00 C ATOM 862 O VAL A 54 -2.376 -5.925 -8.607 1.00 0.00 O ATOM 863 CB VAL A 54 -4.520 -7.293 -7.042 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.137 -7.288 -6.375 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.583 -7.223 -5.948 1.00 0.00 C ATOM 0 H VAL A 54 -4.537 -7.267 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.376 -5.349 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.624 -8.203 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.047 -8.153 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.363 -7.331 -7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.018 -6.376 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.473 -8.076 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.462 -6.299 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.574 -7.244 -6.402 1.00 0.00 H new ATOM 875 N ASN A 55 -3.329 -4.077 -7.906 1.00 0.00 N ATOM 876 CA ASN A 55 -2.065 -3.313 -8.069 1.00 0.00 C ATOM 877 C ASN A 55 -1.605 -2.807 -6.706 1.00 0.00 C ATOM 878 O ASN A 55 -2.265 -2.013 -6.071 1.00 0.00 O ATOM 879 CB ASN A 55 -2.412 -2.148 -8.996 1.00 0.00 C ATOM 880 CG ASN A 55 -1.236 -1.877 -9.936 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.191 -2.472 -11.095 1.00 0.00 O flip ATOM 882 ND2 ASN A 55 -0.347 -1.114 -9.610 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.122 -3.537 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.257 -3.917 -8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.306 -2.383 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.636 -1.257 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.382 -0.648 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.433 -0.940 -10.243 1.00 0.00 H new ATOM 889 N THR A 56 -0.478 -3.265 -6.248 1.00 0.00 N ATOM 890 CA THR A 56 0.015 -2.812 -4.919 1.00 0.00 C ATOM 891 C THR A 56 1.235 -1.907 -5.106 1.00 0.00 C ATOM 892 O THR A 56 2.023 -2.091 -6.012 1.00 0.00 O ATOM 893 CB THR A 56 0.384 -4.087 -4.125 1.00 0.00 C ATOM 894 OG1 THR A 56 1.781 -4.094 -3.872 1.00 0.00 O ATOM 895 CG2 THR A 56 0.003 -5.357 -4.897 1.00 0.00 C ATOM 0 H THR A 56 0.123 -3.931 -6.733 1.00 0.00 H new ATOM 0 HA THR A 56 -0.739 -2.237 -4.382 1.00 0.00 H new ATOM 0 HB THR A 56 -0.172 -4.078 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.007 -3.361 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.276 -6.235 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.071 -5.363 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.534 -5.377 -5.849 1.00 0.00 H new ATOM 903 N LEU A 57 1.386 -0.919 -4.267 1.00 0.00 N ATOM 904 CA LEU A 57 2.546 0.009 -4.414 1.00 0.00 C ATOM 905 C LEU A 57 3.360 0.074 -3.121 1.00 0.00 C ATOM 906 O LEU A 57 2.882 -0.256 -2.054 1.00 0.00 O ATOM 907 CB LEU A 57 1.917 1.372 -4.705 1.00 0.00 C ATOM 908 CG LEU A 57 1.201 1.881 -3.454 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.861 3.175 -2.976 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.269 2.152 -3.786 1.00 0.00 C ATOM 0 H LEU A 57 0.760 -0.714 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 57 3.229 -0.316 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.686 2.081 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.212 1.290 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 57 1.266 1.129 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.349 3.537 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.908 2.984 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.797 3.928 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.782 2.515 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.332 2.904 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.741 1.230 -4.126 1.00 0.00 H new ATOM 922 N HIS A 58 4.586 0.515 -3.210 1.00 0.00 N ATOM 923 CA HIS A 58 5.430 0.622 -1.987 1.00 0.00 C ATOM 924 C HIS A 58 4.946 1.801 -1.142 1.00 0.00 C ATOM 925 O HIS A 58 5.013 2.942 -1.555 1.00 0.00 O ATOM 926 CB HIS A 58 6.848 0.870 -2.500 1.00 0.00 C ATOM 927 CG HIS A 58 7.820 0.764 -1.358 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.706 1.072 -0.024 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 9.110 0.285 -1.526 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 8.903 0.789 0.627 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 9.715 0.318 -0.324 1.00 0.00 N flip ATOM 0 H HIS A 58 5.039 0.805 -4.077 1.00 0.00 H new ATOM 0 HA HIS A 58 5.384 -0.270 -1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.099 0.144 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.913 1.858 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.550 -0.053 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.127 0.922 1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.676 0.020 -0.159 1.00 0.00 H new ATOM 939 N VAL A 59 4.447 1.535 0.031 1.00 0.00 N ATOM 940 CA VAL A 59 3.943 2.644 0.895 1.00 0.00 C ATOM 941 C VAL A 59 4.918 2.904 2.044 1.00 0.00 C ATOM 942 O VAL A 59 5.473 1.991 2.623 1.00 0.00 O ATOM 943 CB VAL A 59 2.574 2.202 1.444 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.526 3.243 1.061 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.148 0.843 0.872 1.00 0.00 C ATOM 0 H VAL A 59 4.365 0.600 0.431 1.00 0.00 H new ATOM 0 HA VAL A 59 3.851 3.569 0.325 1.00 0.00 H new ATOM 0 HB VAL A 59 2.657 2.109 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.553 2.938 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.799 4.208 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.477 3.327 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.177 0.564 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.077 0.911 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.886 0.088 1.141 1.00 0.00 H new ATOM 1245 N ARG A 76 5.715 -0.710 4.626 1.00 0.00 N ATOM 1246 CA ARG A 76 4.328 -1.224 4.431 1.00 0.00 C ATOM 1247 C ARG A 76 3.998 -1.280 2.937 1.00 0.00 C ATOM 1248 O ARG A 76 4.536 -0.531 2.146 1.00 0.00 O ATOM 1249 CB ARG A 76 3.417 -0.228 5.155 1.00 0.00 C ATOM 1250 CG ARG A 76 3.417 1.111 4.418 1.00 0.00 C ATOM 1251 CD ARG A 76 4.232 2.134 5.213 1.00 0.00 C ATOM 1252 NE ARG A 76 3.341 2.549 6.332 1.00 0.00 N ATOM 1253 CZ ARG A 76 2.173 3.072 6.076 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.078 4.337 5.768 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.101 2.332 6.131 1.00 0.00 N ATOM 0 HA ARG A 76 4.202 -2.233 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.403 -0.623 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.759 -0.088 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.841 0.989 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.395 1.467 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.158 1.697 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.510 2.986 4.592 1.00 0.00 H new ATOM 0 HE ARG A 76 3.644 2.425 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.916 4.916 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.165 4.746 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.175 1.344 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.188 2.741 5.931 1.00 0.00 H new ATOM 1269 N LYS A 77 3.121 -2.163 2.544 1.00 0.00 N ATOM 1270 CA LYS A 77 2.763 -2.265 1.099 1.00 0.00 C ATOM 1271 C LYS A 77 1.262 -2.031 0.912 1.00 0.00 C ATOM 1272 O LYS A 77 0.449 -2.515 1.673 1.00 0.00 O ATOM 1273 CB LYS A 77 3.138 -3.692 0.699 1.00 0.00 C ATOM 1274 CG LYS A 77 2.517 -4.023 -0.660 1.00 0.00 C ATOM 1275 CD LYS A 77 2.996 -5.404 -1.116 1.00 0.00 C ATOM 1276 CE LYS A 77 1.963 -6.017 -2.064 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.718 -6.316 -3.312 1.00 0.00 N ATOM 0 H LYS A 77 2.637 -2.817 3.159 1.00 0.00 H new ATOM 0 HA LYS A 77 3.279 -1.523 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.222 -3.794 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.786 -4.396 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.429 -4.009 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.798 -3.268 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.960 -5.319 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.143 -6.053 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.526 -6.921 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.142 -5.325 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.382 -7.214 -3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.568 -5.551 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.732 -6.392 -3.094 1.00 0.00 H new ATOM 1291 N LYS A 78 0.886 -1.290 -0.096 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.564 -1.029 -0.322 1.00 0.00 C ATOM 1293 C LYS A 78 -1.066 -1.855 -1.510 1.00 0.00 C ATOM 1294 O LYS A 78 -0.315 -2.165 -2.408 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.661 0.466 -0.624 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.427 1.163 0.504 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.346 2.234 -0.087 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.022 3.590 0.544 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.154 4.573 -0.567 1.00 0.00 N ATOM 0 H LYS A 78 1.517 -0.856 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.173 -1.305 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.337 0.894 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.169 0.624 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.013 0.434 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.728 1.616 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.216 2.284 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.389 1.975 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.709 3.820 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.016 3.600 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.947 5.528 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.484 4.332 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.124 4.546 -0.941 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.324 -2.229 -1.519 1.00 0.00 N ATOM 1314 CA ALA A 79 -2.842 -3.053 -2.658 1.00 0.00 C ATOM 1315 C ALA A 79 -4.111 -2.470 -3.264 1.00 0.00 C ATOM 1316 O ALA A 79 -5.078 -2.221 -2.577 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.181 -4.403 -2.057 1.00 0.00 C ATOM 0 H ALA A 79 -3.007 -2.003 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.097 -3.098 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.568 -5.061 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.284 -4.843 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.936 -4.277 -1.281 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.127 -2.302 -4.557 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.348 -1.780 -5.226 1.00 0.00 C ATOM 1325 C ILE A 80 -6.000 -2.910 -6.019 1.00 0.00 C ATOM 1326 O ILE A 80 -5.455 -3.397 -6.986 1.00 0.00 O ATOM 1327 CB ILE A 80 -4.866 -0.672 -6.155 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.559 0.579 -5.332 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -5.961 -0.350 -7.171 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.554 0.245 -4.232 1.00 0.00 C ATOM 0 H ILE A 80 -3.345 -2.505 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.087 -1.401 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.967 -0.999 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.158 1.360 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.477 0.969 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.618 0.442 -7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.189 -1.242 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.858 -0.021 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.340 1.141 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.971 -0.521 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.632 -0.124 -4.681 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.148 -3.347 -5.598 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.821 -4.472 -6.311 1.00 0.00 C ATOM 1344 C VAL A 81 -9.044 -3.983 -7.087 1.00 0.00 C ATOM 1345 O VAL A 81 -9.836 -3.205 -6.592 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.251 -5.432 -5.202 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.621 -6.785 -5.813 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.101 -5.620 -4.209 1.00 0.00 C ATOM 0 H VAL A 81 -7.653 -2.978 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.160 -4.939 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.115 -5.018 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.928 -7.470 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.442 -6.654 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.757 -7.197 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.410 -6.305 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.236 -6.032 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.837 -4.657 -3.771 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.223 -4.459 -8.291 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.410 -4.050 -9.080 1.00 0.00 C ATOM 1360 C GLN A 82 -11.331 -5.238 -9.222 1.00 0.00 C ATOM 1361 O GLN A 82 -10.896 -6.371 -9.199 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.894 -3.670 -10.463 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.961 -2.872 -11.206 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.495 -1.428 -11.396 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.312 -1.162 -11.457 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.383 -0.477 -11.495 1.00 0.00 N ATOM 0 H GLN A 82 -8.595 -5.113 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.945 -3.227 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.982 -3.080 -10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.639 -4.568 -11.026 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.160 -3.329 -12.175 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.896 -2.891 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.377 -0.700 -11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.083 0.489 -11.624 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.586 -5.014 -9.402 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.479 -6.167 -9.590 1.00 0.00 C ATOM 1377 C VAL A 83 -14.080 -6.093 -10.980 1.00 0.00 C ATOM 1378 O VAL A 83 -14.177 -5.037 -11.574 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.565 -6.081 -8.525 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.941 -5.724 -7.177 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.587 -5.016 -8.925 1.00 0.00 C ATOM 0 H VAL A 83 -13.029 -4.096 -9.427 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.945 -7.113 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.065 -7.046 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.722 -5.664 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.220 -6.491 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.435 -4.762 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.365 -4.954 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.090 -4.050 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.036 -5.284 -9.881 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.482 -7.196 -11.501 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.076 -7.188 -12.853 1.00 0.00 C ATOM 1393 C ALA A 84 -16.261 -6.226 -12.898 1.00 0.00 C ATOM 1394 O ALA A 84 -16.590 -5.594 -11.913 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.531 -8.618 -13.063 1.00 0.00 C ATOM 0 H ALA A 84 -14.427 -8.110 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.380 -6.859 -13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.989 -8.713 -14.047 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.673 -9.286 -12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.259 -8.884 -12.297 1.00 0.00 H new ATOM 1401 N PRO A 85 -16.863 -6.150 -14.047 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.030 -5.259 -14.241 1.00 0.00 C ATOM 1403 C PRO A 85 -19.254 -5.817 -13.511 1.00 0.00 C ATOM 1404 O PRO A 85 -19.492 -7.008 -13.496 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.236 -5.264 -15.752 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.630 -6.538 -16.223 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.518 -6.885 -15.264 1.00 0.00 C ATOM 0 HA PRO A 85 -17.878 -4.255 -13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.295 -5.214 -16.005 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.756 -4.403 -16.218 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.376 -7.332 -16.250 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.244 -6.429 -17.236 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.467 -7.959 -15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.546 -6.581 -15.652 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.028 -4.962 -12.904 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.236 -5.436 -12.171 1.00 0.00 C ATOM 1417 C GLY A 86 -20.884 -5.669 -10.699 1.00 0.00 C ATOM 1418 O GLY A 86 -21.741 -5.651 -9.837 1.00 0.00 O ATOM 0 H GLY A 86 -19.877 -3.954 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.035 -4.700 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.606 -6.359 -12.618 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.632 -5.894 -10.405 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.227 -6.133 -8.988 1.00 0.00 C ATOM 1424 C GLN A 87 -18.939 -4.809 -8.279 1.00 0.00 C ATOM 1425 O GLN A 87 -18.832 -3.770 -8.900 1.00 0.00 O ATOM 1426 CB GLN A 87 -17.956 -6.973 -9.081 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.326 -8.416 -9.415 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.196 -9.060 -10.219 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.093 -8.551 -10.251 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.425 -10.164 -10.876 1.00 0.00 N ATOM 0 H GLN A 87 -18.871 -5.923 -11.084 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.011 -6.630 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.295 -6.569 -9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.411 -6.934 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.501 -8.979 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.254 -8.442 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.351 -10.591 -10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.678 -10.600 -11.417 1.00 0.00 H new ATOM 1439 N LYS A 88 -18.810 -4.840 -6.980 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.526 -3.581 -6.232 1.00 0.00 C ATOM 1441 C LYS A 88 -18.430 -3.856 -4.728 1.00 0.00 C ATOM 1442 O LYS A 88 -19.396 -4.236 -4.095 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.718 -2.671 -6.529 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.216 -1.287 -6.944 1.00 0.00 C ATOM 1445 CD LYS A 88 -18.280 -0.732 -5.866 1.00 0.00 C ATOM 1446 CE LYS A 88 -17.150 0.058 -6.529 1.00 0.00 C ATOM 1447 NZ LYS A 88 -17.541 1.487 -6.378 1.00 0.00 N ATOM 0 H LYS A 88 -18.889 -5.679 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.578 -3.134 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.328 -3.101 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.354 -2.589 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -18.691 -1.351 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.060 -0.612 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.835 -0.089 -5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.868 -1.548 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.193 -0.143 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.042 -0.213 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.119 2.046 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.577 1.570 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.200 1.845 -5.463 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.277 -3.656 -4.145 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.135 -3.896 -2.680 1.00 0.00 C ATOM 1463 C ILE A 89 -17.736 -2.716 -1.906 1.00 0.00 C ATOM 1464 O ILE A 89 -17.032 -1.876 -1.381 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.629 -4.001 -2.431 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.031 -5.069 -3.354 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.379 -4.393 -0.973 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.608 -5.410 -2.898 1.00 0.00 C ATOM 0 H ILE A 89 -16.431 -3.338 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.654 -4.796 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.160 -3.039 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.652 -5.965 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.017 -4.708 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.306 -4.468 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.804 -3.635 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.849 -5.355 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.187 -6.169 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.989 -4.513 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.634 -5.790 -1.877 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.039 -2.649 -1.846 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.717 -1.530 -1.124 1.00 0.00 C ATOM 1482 C GLU A 90 -19.242 -1.431 0.331 1.00 0.00 C ATOM 1483 O GLU A 90 -19.511 -0.460 1.010 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.205 -1.876 -1.176 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.451 -3.192 -0.435 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.221 -2.915 0.857 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.843 -1.869 0.940 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.176 -3.754 1.742 1.00 0.00 O ATOM 0 H GLU A 90 -19.670 -3.328 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.495 -0.566 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.791 -1.076 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.533 -1.963 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -22.015 -3.877 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.501 -3.677 -0.208 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.559 -2.426 0.825 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.098 -2.375 2.244 1.00 0.00 C ATOM 1497 C ALA A 91 -17.313 -1.085 2.511 1.00 0.00 C ATOM 1498 O ALA A 91 -17.179 -0.657 3.641 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.194 -3.596 2.410 1.00 0.00 C ATOM 0 H ALA A 91 -18.300 -3.269 0.312 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.932 -2.384 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.813 -3.631 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.765 -4.502 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.359 -3.528 1.713 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.803 -0.454 1.488 1.00 0.00 N ATOM 1506 CA LEU A 92 -16.039 0.815 1.704 1.00 0.00 C ATOM 1507 C LEU A 92 -16.879 2.004 1.242 1.00 0.00 C ATOM 1508 O LEU A 92 -16.680 3.125 1.667 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.764 0.717 0.850 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.434 -0.743 0.535 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.073 -0.823 -0.159 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.389 -1.541 1.840 1.00 0.00 C ATOM 0 H LEU A 92 -16.880 -0.757 0.517 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.796 0.955 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.898 1.273 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.930 1.177 1.379 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.198 -1.157 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.839 -1.864 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.103 -0.250 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.306 -0.412 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.154 -2.583 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.622 -1.126 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.358 -1.484 2.335 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.815 1.769 0.364 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.665 2.883 -0.137 1.00 0.00 C ATOM 1526 C GLU A 93 -19.319 3.623 1.034 1.00 0.00 C ATOM 1527 O GLU A 93 -19.494 4.825 1.001 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.727 2.211 -1.008 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.285 2.249 -2.472 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.673 3.595 -3.087 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.715 4.569 -2.354 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.922 3.628 -4.281 1.00 0.00 O ATOM 0 H GLU A 93 -18.027 0.852 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.088 3.622 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.875 1.179 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.683 2.721 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.207 2.103 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.754 1.435 -3.026 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.682 2.914 2.067 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.327 3.577 3.237 1.00 0.00 C ATOM 1541 C GLY A 94 -19.255 4.010 4.239 1.00 0.00 C ATOM 1542 O GLY A 94 -19.542 4.653 5.230 1.00 0.00 O ATOM 0 H GLY A 94 -19.560 1.905 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.900 4.443 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.029 2.893 3.714 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.019 3.667 3.992 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.934 4.062 4.935 1.00 0.00 C ATOM 1548 C LEU A 95 -16.712 5.576 4.881 1.00 0.00 C ATOM 1549 O LEU A 95 -15.943 6.128 5.643 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.691 3.318 4.442 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.012 2.621 5.623 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.032 1.756 6.365 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.875 1.735 5.106 1.00 0.00 C ATOM 0 H LEU A 95 -17.715 3.131 3.179 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.174 3.814 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.969 2.585 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.999 4.016 3.971 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.611 3.372 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.546 1.261 7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.843 2.385 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.435 1.005 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.390 1.238 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.278 0.986 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.146 2.350 4.578 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.382 6.253 3.988 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.209 7.731 3.889 1.00 0.00 C ATOM 1567 C ILE A 96 -17.962 8.429 5.025 1.00 0.00 C ATOM 1568 O ILE A 96 -17.448 9.412 5.534 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.811 8.110 2.536 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.849 7.699 1.418 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.037 9.622 2.481 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.415 8.141 0.068 1.00 0.00 C ATOM 1573 OXT ILE A 96 -19.038 7.967 5.367 1.00 0.00 O ATOM 0 H ILE A 96 -18.041 5.847 3.323 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.164 8.031 3.969 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.763 7.596 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.871 8.153 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.704 6.619 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.466 9.891 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.721 9.917 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.085 10.137 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.730 7.848 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.383 7.666 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.537 9.224 0.062 1.00 0.00 H new