USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 658 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 51 THR OG1 : rot -62:sc= 1.53 USER MOD Set 1.2: A 55 THR OG1 : rot -28:sc= 0.961 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 141:sc= -1.21 USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.205 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -77:sc= 0.0702 USER MOD Single : A 38 LYS NZ :NH3+ 149:sc=-0.00618 (180deg=-0.886) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0573) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 98:sc= -1.76 USER MOD Single : A 47 CYS SG : rot -140:sc= -1.88 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0637 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 156:sc=-0.00195 (180deg=-0.181) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 36:sc= 0.251 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 50:sc= -1.03 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00309 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.279 -18.842 -6.393 1.00 0.00 N ATOM 88 CA ASP A 10 -9.934 -17.782 -7.152 1.00 0.00 C ATOM 89 C ASP A 10 -9.594 -16.412 -6.577 1.00 0.00 C ATOM 90 O ASP A 10 -9.214 -16.292 -5.412 1.00 0.00 O ATOM 91 CB ASP A 10 -11.450 -17.988 -7.151 1.00 0.00 C ATOM 92 CG ASP A 10 -11.937 -18.699 -5.903 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.798 -19.937 -5.834 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.459 -18.016 -4.997 1.00 0.00 O ATOM 0 HA ASP A 10 -9.570 -17.825 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.945 -17.020 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.736 -18.566 -8.030 1.00 0.00 H new ATOM 99 N ALA A 11 -9.734 -15.379 -7.401 1.00 0.00 N ATOM 100 CA ALA A 11 -9.442 -14.016 -6.974 1.00 0.00 C ATOM 101 C ALA A 11 -10.725 -13.215 -6.776 1.00 0.00 C ATOM 102 O ALA A 11 -10.827 -12.404 -5.856 1.00 0.00 O ATOM 103 CB ALA A 11 -8.539 -13.327 -7.985 1.00 0.00 C ATOM 0 H ALA A 11 -10.048 -15.460 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.924 -14.066 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.330 -12.310 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.604 -13.880 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.035 -13.297 -8.955 1.00 0.00 H new ATOM 109 N SER A 12 -11.703 -13.449 -7.646 1.00 0.00 N ATOM 110 CA SER A 12 -12.979 -12.747 -7.571 1.00 0.00 C ATOM 111 C SER A 12 -13.547 -12.806 -6.157 1.00 0.00 C ATOM 112 O SER A 12 -14.170 -11.854 -5.685 1.00 0.00 O ATOM 113 CB SER A 12 -13.977 -13.351 -8.560 1.00 0.00 C ATOM 114 OG SER A 12 -14.314 -14.679 -8.197 1.00 0.00 O ATOM 0 H SER A 12 -11.636 -14.120 -8.411 1.00 0.00 H new ATOM 0 HA SER A 12 -12.808 -11.703 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.879 -12.739 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.551 -13.342 -9.563 1.00 0.00 H new ATOM 0 HG SER A 12 -14.955 -15.042 -8.844 1.00 0.00 H new ATOM 120 N LYS A 13 -13.328 -13.930 -5.484 1.00 0.00 N ATOM 121 CA LYS A 13 -13.817 -14.115 -4.123 1.00 0.00 C ATOM 122 C LYS A 13 -13.006 -13.283 -3.135 1.00 0.00 C ATOM 123 O LYS A 13 -13.556 -12.701 -2.199 1.00 0.00 O ATOM 124 CB LYS A 13 -13.753 -15.593 -3.733 1.00 0.00 C ATOM 125 CG LYS A 13 -14.596 -16.494 -4.620 1.00 0.00 C ATOM 126 CD LYS A 13 -16.068 -16.126 -4.548 1.00 0.00 C ATOM 127 CE LYS A 13 -16.949 -17.247 -5.079 1.00 0.00 C ATOM 128 NZ LYS A 13 -18.378 -16.836 -5.165 1.00 0.00 N ATOM 0 H LYS A 13 -12.815 -14.727 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.854 -13.780 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.716 -15.926 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.084 -15.702 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.251 -16.418 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.464 -17.532 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.339 -15.907 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.246 -15.218 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.598 -17.548 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.860 -18.118 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.945 -17.627 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.721 -16.572 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.467 -16.021 -5.805 1.00 0.00 H new ATOM 142 N CYS A 14 -11.696 -13.227 -3.351 1.00 0.00 N ATOM 143 CA CYS A 14 -10.809 -12.465 -2.479 1.00 0.00 C ATOM 144 C CYS A 14 -11.333 -11.047 -2.277 1.00 0.00 C ATOM 145 O CYS A 14 -11.784 -10.400 -3.223 1.00 0.00 O ATOM 146 CB CYS A 14 -9.397 -12.421 -3.066 1.00 0.00 C ATOM 147 SG CYS A 14 -8.421 -13.911 -2.753 1.00 0.00 S ATOM 0 H CYS A 14 -11.225 -13.700 -4.122 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.776 -12.963 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.467 -12.265 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.870 -11.561 -2.653 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.717 -14.198 -3.807 1.00 0.00 H new ATOM 153 N LEU A 15 -11.271 -10.570 -1.039 1.00 0.00 N ATOM 154 CA LEU A 15 -11.741 -9.228 -0.712 1.00 0.00 C ATOM 155 C LEU A 15 -10.650 -8.425 -0.009 1.00 0.00 C ATOM 156 O LEU A 15 -9.842 -8.979 0.736 1.00 0.00 O ATOM 157 CB LEU A 15 -12.985 -9.304 0.174 1.00 0.00 C ATOM 158 CG LEU A 15 -14.231 -9.913 -0.471 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.448 -9.707 0.419 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.468 -9.311 -1.847 1.00 0.00 C ATOM 0 H LEU A 15 -10.900 -11.092 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.996 -8.722 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.739 -9.885 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.230 -8.296 0.510 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.068 -10.984 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.325 -10.147 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.279 -10.186 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.613 -8.640 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.359 -9.756 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.609 -8.234 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.607 -9.510 -2.485 1.00 0.00 H new ATOM 172 N ALA A 16 -10.636 -7.120 -0.249 1.00 0.00 N ATOM 173 CA ALA A 16 -9.648 -6.240 0.364 1.00 0.00 C ATOM 174 C ALA A 16 -10.322 -5.143 1.181 1.00 0.00 C ATOM 175 O ALA A 16 -10.984 -4.262 0.631 1.00 0.00 O ATOM 176 CB ALA A 16 -8.749 -5.632 -0.702 1.00 0.00 C ATOM 0 H ALA A 16 -11.298 -6.647 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.037 -6.836 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.016 -4.977 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.232 -6.427 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.353 -5.055 -1.402 1.00 0.00 H new ATOM 182 N THR A 17 -10.149 -5.201 2.498 1.00 0.00 N ATOM 183 CA THR A 17 -10.743 -4.213 3.391 1.00 0.00 C ATOM 184 C THR A 17 -9.668 -3.448 4.154 1.00 0.00 C ATOM 185 O THR A 17 -8.820 -4.042 4.817 1.00 0.00 O ATOM 186 CB THR A 17 -11.701 -4.872 4.400 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.011 -5.883 5.143 1.00 0.00 O ATOM 188 CG2 THR A 17 -12.898 -5.486 3.689 1.00 0.00 C ATOM 0 H THR A 17 -9.603 -5.922 2.970 1.00 0.00 H new ATOM 0 HA THR A 17 -11.306 -3.520 2.767 1.00 0.00 H new ATOM 0 HB THR A 17 -12.060 -4.102 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.061 -5.651 5.207 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.560 -5.946 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.438 -4.709 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.554 -6.244 2.986 1.00 0.00 H new ATOM 196 N GLY A 18 -9.711 -2.121 4.057 1.00 0.00 N ATOM 197 CA GLY A 18 -8.735 -1.296 4.744 1.00 0.00 C ATOM 198 C GLY A 18 -8.727 0.134 4.238 1.00 0.00 C ATOM 199 O GLY A 18 -9.177 0.426 3.130 1.00 0.00 O ATOM 0 H GLY A 18 -10.404 -1.604 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.949 -1.299 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.743 -1.729 4.616 1.00 0.00 H new ATOM 203 N PRO A 19 -8.208 1.054 5.064 1.00 0.00 N ATOM 204 CA PRO A 19 -8.132 2.477 4.717 1.00 0.00 C ATOM 205 C PRO A 19 -7.116 2.751 3.613 1.00 0.00 C ATOM 206 O PRO A 19 -7.322 3.620 2.767 1.00 0.00 O ATOM 207 CB PRO A 19 -7.693 3.139 6.025 1.00 0.00 C ATOM 208 CG PRO A 19 -6.973 2.067 6.769 1.00 0.00 C ATOM 209 CD PRO A 19 -7.654 0.778 6.400 1.00 0.00 C ATOM 0 HA PRO A 19 -9.079 2.853 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.045 3.995 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.550 3.506 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.918 2.043 6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.020 2.239 7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.952 -0.056 6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.436 0.518 7.113 1.00 0.00 H new ATOM 217 N GLY A 20 -6.017 2.002 3.627 1.00 0.00 N ATOM 218 CA GLY A 20 -4.986 2.179 2.623 1.00 0.00 C ATOM 219 C GLY A 20 -5.493 1.920 1.218 1.00 0.00 C ATOM 220 O GLY A 20 -5.064 2.572 0.266 1.00 0.00 O ATOM 0 H GLY A 20 -5.823 1.276 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.595 3.195 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.156 1.505 2.836 1.00 0.00 H new ATOM 224 N ILE A 21 -6.408 0.964 1.088 1.00 0.00 N ATOM 225 CA ILE A 21 -6.973 0.621 -0.210 1.00 0.00 C ATOM 226 C ILE A 21 -8.144 1.535 -0.560 1.00 0.00 C ATOM 227 O ILE A 21 -8.540 1.637 -1.720 1.00 0.00 O ATOM 228 CB ILE A 21 -7.451 -0.843 -0.247 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.367 -1.134 0.943 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.259 -1.788 -0.249 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.164 -2.410 0.794 1.00 0.00 C ATOM 0 H ILE A 21 -6.773 0.414 1.866 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.179 0.755 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.018 -1.002 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.764 -1.196 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.055 -0.299 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.612 -2.819 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.642 -1.593 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.668 -1.630 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.791 -2.552 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.794 -2.344 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.483 -3.255 0.693 1.00 0.00 H new ATOM 243 N ALA A 22 -8.693 2.197 0.453 1.00 0.00 N ATOM 244 CA ALA A 22 -9.815 3.106 0.253 1.00 0.00 C ATOM 245 C ALA A 22 -9.561 4.040 -0.924 1.00 0.00 C ATOM 246 O ALA A 22 -8.479 4.611 -1.054 1.00 0.00 O ATOM 247 CB ALA A 22 -10.078 3.907 1.519 1.00 0.00 C ATOM 0 H ALA A 22 -8.379 2.121 1.420 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.698 2.509 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.918 4.581 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.313 3.227 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.191 4.488 1.773 1.00 0.00 H new ATOM 253 N SER A 23 -10.566 4.193 -1.779 1.00 0.00 N ATOM 254 CA SER A 23 -10.450 5.056 -2.949 1.00 0.00 C ATOM 255 C SER A 23 -9.629 6.301 -2.627 1.00 0.00 C ATOM 256 O SER A 23 -8.817 6.751 -3.435 1.00 0.00 O ATOM 257 CB SER A 23 -11.838 5.462 -3.450 1.00 0.00 C ATOM 258 OG SER A 23 -12.619 4.323 -3.768 1.00 0.00 O ATOM 0 H SER A 23 -11.470 3.731 -1.684 1.00 0.00 H new ATOM 0 HA SER A 23 -9.938 4.497 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.345 6.053 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.739 6.096 -4.331 1.00 0.00 H new ATOM 0 HG SER A 23 -13.501 4.609 -4.084 1.00 0.00 H new ATOM 264 N THR A 24 -9.848 6.855 -1.438 1.00 0.00 N ATOM 265 CA THR A 24 -9.131 8.048 -1.007 1.00 0.00 C ATOM 266 C THR A 24 -8.443 7.822 0.334 1.00 0.00 C ATOM 267 O THR A 24 -8.942 7.081 1.182 1.00 0.00 O ATOM 268 CB THR A 24 -10.075 9.259 -0.890 1.00 0.00 C ATOM 269 OG1 THR A 24 -11.188 8.933 -0.049 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.577 9.690 -2.260 1.00 0.00 C ATOM 0 H THR A 24 -10.517 6.496 -0.757 1.00 0.00 H new ATOM 0 HA THR A 24 -8.378 8.256 -1.767 1.00 0.00 H new ATOM 0 HB THR A 24 -9.517 10.085 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.783 9.709 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.242 10.547 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.730 9.966 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.120 8.867 -2.724 1.00 0.00 H new ATOM 278 N VAL A 25 -7.295 8.465 0.522 1.00 0.00 N ATOM 279 CA VAL A 25 -6.540 8.335 1.762 1.00 0.00 C ATOM 280 C VAL A 25 -5.788 9.622 2.084 1.00 0.00 C ATOM 281 O VAL A 25 -5.739 10.546 1.273 1.00 0.00 O ATOM 282 CB VAL A 25 -5.534 7.170 1.687 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.256 5.858 1.426 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.489 7.438 0.614 1.00 0.00 C ATOM 0 H VAL A 25 -6.868 9.081 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.262 8.131 2.553 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.023 7.090 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.530 5.047 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.962 5.664 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.795 5.921 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.786 6.606 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.980 7.545 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.951 8.356 0.851 1.00 0.00 H new ATOM 294 N LYS A 26 -5.201 9.675 3.275 1.00 0.00 N ATOM 295 CA LYS A 26 -4.449 10.848 3.707 1.00 0.00 C ATOM 296 C LYS A 26 -2.948 10.578 3.661 1.00 0.00 C ATOM 297 O LYS A 26 -2.489 9.498 4.034 1.00 0.00 O ATOM 298 CB LYS A 26 -4.862 11.250 5.124 1.00 0.00 C ATOM 299 CG LYS A 26 -4.096 12.446 5.664 1.00 0.00 C ATOM 300 CD LYS A 26 -4.667 12.922 6.990 1.00 0.00 C ATOM 301 CE LYS A 26 -5.926 13.751 6.788 1.00 0.00 C ATOM 302 NZ LYS A 26 -6.286 14.519 8.013 1.00 0.00 N ATOM 0 H LYS A 26 -5.231 8.919 3.959 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.675 11.666 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.928 11.478 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.712 10.402 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.047 12.179 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.131 13.259 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.893 12.062 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.920 13.515 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.777 14.441 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.753 13.095 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.149 15.071 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.453 13.860 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.508 15.163 8.260 1.00 0.00 H new ATOM 316 N THR A 27 -2.188 11.567 3.203 1.00 0.00 N ATOM 317 CA THR A 27 -0.740 11.437 3.109 1.00 0.00 C ATOM 318 C THR A 27 -0.080 11.629 4.470 1.00 0.00 C ATOM 319 O THR A 27 -0.660 12.233 5.371 1.00 0.00 O ATOM 320 CB THR A 27 -0.147 12.455 2.116 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.499 13.787 2.512 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.648 12.191 0.704 1.00 0.00 C ATOM 0 H THR A 27 -2.552 12.468 2.891 1.00 0.00 H new ATOM 0 HA THR A 27 -0.537 10.428 2.749 1.00 0.00 H new ATOM 0 HB THR A 27 0.938 12.348 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.431 13.966 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.215 12.923 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.353 11.188 0.395 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.735 12.273 0.682 1.00 0.00 H new ATOM 330 N GLY A 28 1.135 11.110 4.611 1.00 0.00 N ATOM 331 CA GLY A 28 1.854 11.235 5.867 1.00 0.00 C ATOM 332 C GLY A 28 1.410 10.211 6.893 1.00 0.00 C ATOM 333 O GLY A 28 2.235 9.645 7.610 1.00 0.00 O ATOM 0 H GLY A 28 1.635 10.605 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.922 11.121 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.705 12.237 6.270 1.00 0.00 H new ATOM 337 N GLU A 29 0.104 9.975 6.965 1.00 0.00 N ATOM 338 CA GLU A 29 -0.447 9.014 7.914 1.00 0.00 C ATOM 339 C GLU A 29 -0.211 7.584 7.438 1.00 0.00 C ATOM 340 O GLU A 29 -0.367 7.279 6.256 1.00 0.00 O ATOM 341 CB GLU A 29 -1.945 9.259 8.109 1.00 0.00 C ATOM 342 CG GLU A 29 -2.256 10.441 9.010 1.00 0.00 C ATOM 343 CD GLU A 29 -3.572 10.282 9.747 1.00 0.00 C ATOM 344 OE1 GLU A 29 -4.622 10.193 9.076 1.00 0.00 O ATOM 345 OE2 GLU A 29 -3.552 10.246 10.996 1.00 0.00 O ATOM 0 H GLU A 29 -0.592 10.435 6.378 1.00 0.00 H new ATOM 0 HA GLU A 29 0.063 9.149 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.407 9.423 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.399 8.362 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.451 10.563 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.287 11.351 8.411 1.00 0.00 H new ATOM 352 N GLU A 30 0.166 6.712 8.368 1.00 0.00 N ATOM 353 CA GLU A 30 0.425 5.314 8.044 1.00 0.00 C ATOM 354 C GLU A 30 -0.869 4.504 8.055 1.00 0.00 C ATOM 355 O GLU A 30 -1.467 4.284 9.107 1.00 0.00 O ATOM 356 CB GLU A 30 1.423 4.714 9.036 1.00 0.00 C ATOM 357 CG GLU A 30 1.721 3.245 8.786 1.00 0.00 C ATOM 358 CD GLU A 30 2.933 2.756 9.556 1.00 0.00 C ATOM 359 OE1 GLU A 30 2.924 2.858 10.801 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.889 2.272 8.914 1.00 0.00 O ATOM 0 H GLU A 30 0.299 6.949 9.351 1.00 0.00 H new ATOM 0 HA GLU A 30 0.851 5.273 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.354 5.278 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.032 4.830 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.852 2.649 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.885 3.088 7.720 1.00 0.00 H new ATOM 367 N VAL A 31 -1.294 4.065 6.874 1.00 0.00 N ATOM 368 CA VAL A 31 -2.516 3.280 6.747 1.00 0.00 C ATOM 369 C VAL A 31 -2.246 1.800 6.991 1.00 0.00 C ATOM 370 O VAL A 31 -1.098 1.383 7.135 1.00 0.00 O ATOM 371 CB VAL A 31 -3.151 3.451 5.354 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.522 4.907 5.112 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.206 2.947 4.273 1.00 0.00 C ATOM 0 H VAL A 31 -0.811 4.240 5.993 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.209 3.650 7.502 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.064 2.856 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.969 5.009 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.237 5.231 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.626 5.525 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.670 3.075 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.276 3.514 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.994 1.891 4.438 1.00 0.00 H new ATOM 383 N GLY A 32 -3.313 1.008 7.035 1.00 0.00 N ATOM 384 CA GLY A 32 -3.170 -0.418 7.262 1.00 0.00 C ATOM 385 C GLY A 32 -4.363 -1.208 6.759 1.00 0.00 C ATOM 386 O GLY A 32 -5.401 -1.265 7.418 1.00 0.00 O ATOM 0 H GLY A 32 -4.274 1.329 6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.267 -0.773 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.040 -0.602 8.328 1.00 0.00 H new ATOM 390 N PHE A 33 -4.215 -1.817 5.588 1.00 0.00 N ATOM 391 CA PHE A 33 -5.289 -2.605 4.994 1.00 0.00 C ATOM 392 C PHE A 33 -4.937 -4.089 4.992 1.00 0.00 C ATOM 393 O PHE A 33 -3.765 -4.461 4.939 1.00 0.00 O ATOM 394 CB PHE A 33 -5.569 -2.133 3.567 1.00 0.00 C ATOM 395 CG PHE A 33 -4.412 -2.338 2.630 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.348 -1.450 2.617 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.390 -3.417 1.763 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.282 -1.636 1.757 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.326 -3.609 0.901 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.272 -2.716 0.897 1.00 0.00 C ATOM 0 H PHE A 33 -3.361 -1.780 5.031 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.186 -2.463 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.438 -2.666 3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.827 -1.074 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.352 -0.603 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.213 -4.116 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.458 -0.938 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.319 -4.456 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.442 -2.862 0.222 1.00 0.00 H new ATOM 410 N VAL A 34 -5.962 -4.935 5.050 1.00 0.00 N ATOM 411 CA VAL A 34 -5.762 -6.380 5.053 1.00 0.00 C ATOM 412 C VAL A 34 -6.757 -7.074 4.130 1.00 0.00 C ATOM 413 O VAL A 34 -7.917 -6.672 4.034 1.00 0.00 O ATOM 414 CB VAL A 34 -5.901 -6.962 6.472 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.247 -6.584 7.074 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.724 -8.472 6.448 1.00 0.00 C ATOM 0 H VAL A 34 -6.939 -4.644 5.096 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.750 -6.561 4.692 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.117 -6.537 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.328 -7.004 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.330 -5.498 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.049 -6.979 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.825 -8.866 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.485 -8.917 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.735 -8.716 6.061 1.00 0.00 H new ATOM 426 N VAL A 35 -6.295 -8.119 3.452 1.00 0.00 N ATOM 427 CA VAL A 35 -7.145 -8.873 2.537 1.00 0.00 C ATOM 428 C VAL A 35 -7.838 -10.026 3.254 1.00 0.00 C ATOM 429 O VAL A 35 -7.186 -10.874 3.863 1.00 0.00 O ATOM 430 CB VAL A 35 -6.336 -9.432 1.351 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.229 -10.256 0.437 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.669 -8.302 0.582 1.00 0.00 C ATOM 0 H VAL A 35 -5.337 -8.463 3.519 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.897 -8.180 2.160 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.555 -10.085 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.640 -10.643 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.655 -11.088 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.033 -9.629 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.102 -8.715 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.431 -7.622 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.996 -7.759 1.245 1.00 0.00 H new ATOM 442 N ASP A 36 -9.164 -10.051 3.177 1.00 0.00 N ATOM 443 CA ASP A 36 -9.947 -11.101 3.816 1.00 0.00 C ATOM 444 C ASP A 36 -10.206 -12.253 2.850 1.00 0.00 C ATOM 445 O ASP A 36 -10.689 -12.046 1.737 1.00 0.00 O ATOM 446 CB ASP A 36 -11.275 -10.539 4.325 1.00 0.00 C ATOM 447 CG ASP A 36 -11.772 -11.258 5.565 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.823 -12.505 5.546 1.00 0.00 O ATOM 449 OD2 ASP A 36 -12.111 -10.573 6.552 1.00 0.00 O ATOM 0 H ASP A 36 -9.719 -9.356 2.678 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.374 -11.482 4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.156 -9.478 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.025 -10.618 3.538 1.00 0.00 H new ATOM 454 N ALA A 37 -9.879 -13.466 3.282 1.00 0.00 N ATOM 455 CA ALA A 37 -10.077 -14.651 2.455 1.00 0.00 C ATOM 456 C ALA A 37 -10.825 -15.736 3.220 1.00 0.00 C ATOM 457 O ALA A 37 -10.420 -16.133 4.313 1.00 0.00 O ATOM 458 CB ALA A 37 -8.739 -15.178 1.960 1.00 0.00 C ATOM 0 H ALA A 37 -9.476 -13.655 4.200 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.684 -14.366 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.902 -16.062 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.242 -14.410 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.113 -15.440 2.813 1.00 0.00 H new ATOM 464 N LYS A 38 -11.922 -16.213 2.641 1.00 0.00 N ATOM 465 CA LYS A 38 -12.728 -17.254 3.268 1.00 0.00 C ATOM 466 C LYS A 38 -12.992 -18.398 2.294 1.00 0.00 C ATOM 467 O LYS A 38 -12.805 -19.569 2.629 1.00 0.00 O ATOM 468 CB LYS A 38 -14.055 -16.673 3.760 1.00 0.00 C ATOM 469 CG LYS A 38 -14.830 -15.929 2.686 1.00 0.00 C ATOM 470 CD LYS A 38 -16.100 -15.309 3.242 1.00 0.00 C ATOM 471 CE LYS A 38 -17.259 -16.294 3.219 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.326 -17.101 4.468 1.00 0.00 N ATOM 0 H LYS A 38 -12.273 -15.895 1.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.172 -17.646 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.674 -17.482 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.859 -15.995 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.201 -15.149 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.083 -16.615 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.925 -14.975 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.360 -14.426 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.195 -15.751 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.153 -16.959 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.316 -17.344 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.773 -17.973 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.936 -16.550 5.259 1.00 0.00 H new ATOM 486 N THR A 39 -13.428 -18.053 1.087 1.00 0.00 N ATOM 487 CA THR A 39 -13.718 -19.051 0.065 1.00 0.00 C ATOM 488 C THR A 39 -12.635 -19.069 -1.008 1.00 0.00 C ATOM 489 O THR A 39 -12.411 -20.088 -1.660 1.00 0.00 O ATOM 490 CB THR A 39 -15.082 -18.792 -0.603 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.376 -19.837 -1.537 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.089 -17.448 -1.316 1.00 0.00 C ATOM 0 H THR A 39 -13.588 -17.090 0.793 1.00 0.00 H new ATOM 0 HA THR A 39 -13.746 -20.018 0.567 1.00 0.00 H new ATOM 0 HB THR A 39 -15.846 -18.776 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.245 -19.666 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.062 -17.287 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.895 -16.653 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.315 -17.439 -2.084 1.00 0.00 H new ATOM 500 N ALA A 40 -11.966 -17.934 -1.187 1.00 0.00 N ATOM 501 CA ALA A 40 -10.905 -17.822 -2.179 1.00 0.00 C ATOM 502 C ALA A 40 -10.095 -19.110 -2.266 1.00 0.00 C ATOM 503 O ALA A 40 -9.648 -19.502 -3.343 1.00 0.00 O ATOM 504 CB ALA A 40 -9.996 -16.646 -1.848 1.00 0.00 C ATOM 0 H ALA A 40 -12.141 -17.080 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.367 -17.649 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.207 -16.574 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.579 -15.725 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.550 -16.796 -0.865 1.00 0.00 H new ATOM 510 N GLY A 41 -9.909 -19.766 -1.125 1.00 0.00 N ATOM 511 CA GLY A 41 -9.152 -21.003 -1.094 1.00 0.00 C ATOM 512 C GLY A 41 -7.686 -20.778 -0.783 1.00 0.00 C ATOM 513 O GLY A 41 -7.343 -19.989 0.097 1.00 0.00 O ATOM 0 H GLY A 41 -10.270 -19.462 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.581 -21.669 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.243 -21.505 -2.057 1.00 0.00 H new ATOM 517 N LYS A 42 -6.816 -21.476 -1.506 1.00 0.00 N ATOM 518 CA LYS A 42 -5.377 -21.350 -1.304 1.00 0.00 C ATOM 519 C LYS A 42 -4.776 -20.347 -2.282 1.00 0.00 C ATOM 520 O LYS A 42 -5.312 -20.125 -3.367 1.00 0.00 O ATOM 521 CB LYS A 42 -4.697 -22.711 -1.470 1.00 0.00 C ATOM 522 CG LYS A 42 -3.353 -22.809 -0.770 1.00 0.00 C ATOM 523 CD LYS A 42 -2.635 -24.102 -1.120 1.00 0.00 C ATOM 524 CE LYS A 42 -1.157 -24.030 -0.771 1.00 0.00 C ATOM 525 NZ LYS A 42 -0.398 -23.190 -1.740 1.00 0.00 N ATOM 0 H LYS A 42 -7.083 -22.135 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.208 -20.987 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.357 -23.487 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.559 -22.912 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.732 -21.959 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.499 -22.753 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.096 -24.932 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.749 -24.306 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.040 -23.622 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.738 -25.036 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.622 -23.301 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.623 -23.490 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.663 -22.192 -1.616 1.00 0.00 H new ATOM 539 N GLY A 43 -3.659 -19.742 -1.891 1.00 0.00 N ATOM 540 CA GLY A 43 -3.002 -18.770 -2.745 1.00 0.00 C ATOM 541 C GLY A 43 -2.356 -17.648 -1.957 1.00 0.00 C ATOM 542 O GLY A 43 -2.724 -17.391 -0.811 1.00 0.00 O ATOM 0 H GLY A 43 -3.197 -19.908 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.243 -19.272 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.730 -18.350 -3.439 1.00 0.00 H new ATOM 546 N LYS A 44 -1.386 -16.978 -2.572 1.00 0.00 N ATOM 547 CA LYS A 44 -0.684 -15.878 -1.921 1.00 0.00 C ATOM 548 C LYS A 44 -1.154 -14.534 -2.469 1.00 0.00 C ATOM 549 O LYS A 44 -1.673 -14.453 -3.582 1.00 0.00 O ATOM 550 CB LYS A 44 0.826 -16.022 -2.118 1.00 0.00 C ATOM 551 CG LYS A 44 1.485 -16.949 -1.112 1.00 0.00 C ATOM 552 CD LYS A 44 3.001 -16.892 -1.211 1.00 0.00 C ATOM 553 CE LYS A 44 3.658 -17.220 0.122 1.00 0.00 C ATOM 554 NZ LYS A 44 3.909 -18.681 0.271 1.00 0.00 N ATOM 0 H LYS A 44 -1.069 -17.178 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.910 -15.915 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.019 -16.395 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.288 -15.037 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.175 -16.673 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.147 -17.971 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.344 -17.595 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.309 -15.898 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.601 -16.679 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.020 -16.876 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.357 -18.864 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.007 -19.196 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.538 -19.005 -0.491 1.00 0.00 H new ATOM 568 N VAL A 45 -0.966 -13.480 -1.680 1.00 0.00 N ATOM 569 CA VAL A 45 -1.368 -12.139 -2.088 1.00 0.00 C ATOM 570 C VAL A 45 -0.200 -11.164 -1.995 1.00 0.00 C ATOM 571 O VAL A 45 0.295 -10.871 -0.906 1.00 0.00 O ATOM 572 CB VAL A 45 -2.530 -11.615 -1.224 1.00 0.00 C ATOM 573 CG1 VAL A 45 -3.013 -10.268 -1.739 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.669 -12.623 -1.194 1.00 0.00 C ATOM 0 H VAL A 45 -0.538 -13.529 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.698 -12.208 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.169 -11.479 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.834 -9.914 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.194 -9.550 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.357 -10.374 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.481 -12.236 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.031 -12.793 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.312 -13.563 -0.774 1.00 0.00 H new ATOM 584 N THR A 46 0.238 -10.662 -3.146 1.00 0.00 N ATOM 585 CA THR A 46 1.349 -9.720 -3.195 1.00 0.00 C ATOM 586 C THR A 46 0.854 -8.301 -3.448 1.00 0.00 C ATOM 587 O THR A 46 -0.091 -8.088 -4.208 1.00 0.00 O ATOM 588 CB THR A 46 2.361 -10.102 -4.292 1.00 0.00 C ATOM 589 OG1 THR A 46 1.769 -9.930 -5.585 1.00 0.00 O ATOM 590 CG2 THR A 46 2.820 -11.543 -4.127 1.00 0.00 C ATOM 0 H THR A 46 -0.160 -10.892 -4.056 1.00 0.00 H new ATOM 0 HA THR A 46 1.843 -9.762 -2.225 1.00 0.00 H new ATOM 0 HB THR A 46 3.228 -9.448 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.043 -9.066 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.534 -11.790 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.295 -11.664 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.960 -12.209 -4.196 1.00 0.00 H new ATOM 598 N CYS A 47 1.499 -7.332 -2.807 1.00 0.00 N ATOM 599 CA CYS A 47 1.124 -5.931 -2.962 1.00 0.00 C ATOM 600 C CYS A 47 2.302 -5.105 -3.468 1.00 0.00 C ATOM 601 O CYS A 47 3.458 -5.402 -3.165 1.00 0.00 O ATOM 602 CB CYS A 47 0.623 -5.365 -1.632 1.00 0.00 C ATOM 603 SG CYS A 47 0.184 -3.613 -1.694 1.00 0.00 S ATOM 0 H CYS A 47 2.284 -7.491 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 47 0.322 -5.875 -3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.249 -5.936 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.394 -5.509 -0.875 1.00 0.00 H new ATOM 0 HG CYS A 47 0.580 -3.028 -0.603 1.00 0.00 H new ATOM 609 N THR A 48 2.001 -4.070 -4.245 1.00 0.00 N ATOM 610 CA THR A 48 3.035 -3.203 -4.797 1.00 0.00 C ATOM 611 C THR A 48 2.562 -1.755 -4.862 1.00 0.00 C ATOM 612 O THR A 48 1.712 -1.405 -5.681 1.00 0.00 O ATOM 613 CB THR A 48 3.454 -3.657 -6.208 1.00 0.00 C ATOM 614 OG1 THR A 48 4.027 -4.968 -6.150 1.00 0.00 O ATOM 615 CG2 THR A 48 4.457 -2.687 -6.813 1.00 0.00 C ATOM 0 H THR A 48 1.050 -3.811 -4.507 1.00 0.00 H new ATOM 0 HA THR A 48 3.894 -3.272 -4.130 1.00 0.00 H new ATOM 0 HB THR A 48 2.565 -3.676 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.289 -5.250 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.738 -3.029 -7.809 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.009 -1.696 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.344 -2.640 -6.182 1.00 0.00 H new ATOM 623 N VAL A 49 3.118 -0.916 -3.994 1.00 0.00 N ATOM 624 CA VAL A 49 2.753 0.495 -3.953 1.00 0.00 C ATOM 625 C VAL A 49 3.487 1.283 -5.033 1.00 0.00 C ATOM 626 O VAL A 49 4.716 1.360 -5.034 1.00 0.00 O ATOM 627 CB VAL A 49 3.065 1.116 -2.578 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.600 2.563 -2.529 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.420 0.301 -1.467 1.00 0.00 C ATOM 0 H VAL A 49 3.823 -1.189 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 49 1.679 0.550 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 49 4.144 1.101 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.828 2.986 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.113 3.136 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.524 2.606 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.651 0.754 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.340 0.282 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.807 -0.718 -1.491 1.00 0.00 H new ATOM 639 N LEU A 50 2.726 1.867 -5.951 1.00 0.00 N ATOM 640 CA LEU A 50 3.303 2.651 -7.038 1.00 0.00 C ATOM 641 C LEU A 50 3.062 4.141 -6.822 1.00 0.00 C ATOM 642 O LEU A 50 1.918 4.594 -6.750 1.00 0.00 O ATOM 643 CB LEU A 50 2.709 2.216 -8.378 1.00 0.00 C ATOM 644 CG LEU A 50 3.440 2.708 -9.628 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.271 1.717 -10.769 1.00 0.00 C ATOM 646 CD2 LEU A 50 2.934 4.084 -10.034 1.00 0.00 C ATOM 0 H LEU A 50 1.708 1.813 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 50 4.378 2.474 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.680 1.127 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.677 2.563 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 50 4.502 2.787 -9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.798 2.083 -11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.682 0.751 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.212 1.605 -11.000 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.465 4.419 -10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.866 4.031 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.108 4.790 -9.222 1.00 0.00 H new ATOM 658 N THR A 51 4.147 4.903 -6.720 1.00 0.00 N ATOM 659 CA THR A 51 4.054 6.342 -6.514 1.00 0.00 C ATOM 660 C THR A 51 3.904 7.080 -7.839 1.00 0.00 C ATOM 661 O THR A 51 4.400 6.644 -8.879 1.00 0.00 O ATOM 662 CB THR A 51 5.292 6.884 -5.775 1.00 0.00 C ATOM 663 OG1 THR A 51 6.464 6.693 -6.575 1.00 0.00 O ATOM 664 CG2 THR A 51 5.469 6.191 -4.433 1.00 0.00 C ATOM 0 H THR A 51 5.101 4.546 -6.777 1.00 0.00 H new ATOM 0 HA THR A 51 3.169 6.517 -5.903 1.00 0.00 H new ATOM 0 HB THR A 51 5.143 7.949 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.609 5.735 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.350 6.591 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.588 6.365 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.596 5.120 -4.591 1.00 0.00 H new ATOM 672 N PRO A 52 3.204 8.223 -7.805 1.00 0.00 N ATOM 673 CA PRO A 52 2.974 9.046 -8.997 1.00 0.00 C ATOM 674 C PRO A 52 4.249 9.725 -9.487 1.00 0.00 C ATOM 675 O PRO A 52 4.252 10.381 -10.529 1.00 0.00 O ATOM 676 CB PRO A 52 1.963 10.090 -8.517 1.00 0.00 C ATOM 677 CG PRO A 52 2.182 10.181 -7.046 1.00 0.00 C ATOM 678 CD PRO A 52 2.585 8.802 -6.601 1.00 0.00 C ATOM 0 HA PRO A 52 2.626 8.452 -9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.127 11.052 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.942 9.787 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.958 10.909 -6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.275 10.506 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.285 8.838 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.725 8.219 -6.271 1.00 0.00 H new ATOM 686 N ASP A 53 5.328 9.564 -8.731 1.00 0.00 N ATOM 687 CA ASP A 53 6.609 10.160 -9.090 1.00 0.00 C ATOM 688 C ASP A 53 7.340 9.301 -10.118 1.00 0.00 C ATOM 689 O ASP A 53 8.127 9.807 -10.918 1.00 0.00 O ATOM 690 CB ASP A 53 7.481 10.338 -7.846 1.00 0.00 C ATOM 691 CG ASP A 53 7.247 11.670 -7.162 1.00 0.00 C ATOM 692 OD1 ASP A 53 6.128 12.211 -7.281 1.00 0.00 O ATOM 693 OD2 ASP A 53 8.184 12.174 -6.508 1.00 0.00 O ATOM 0 H ASP A 53 5.342 9.025 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 53 6.414 11.138 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.275 9.531 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.531 10.256 -8.127 1.00 0.00 H new ATOM 698 N GLY A 54 7.074 7.999 -10.090 1.00 0.00 N ATOM 699 CA GLY A 54 7.715 7.090 -11.023 1.00 0.00 C ATOM 700 C GLY A 54 8.686 6.147 -10.340 1.00 0.00 C ATOM 701 O GLY A 54 9.715 5.783 -10.910 1.00 0.00 O ATOM 0 H GLY A 54 6.426 7.557 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.952 6.509 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.246 7.667 -11.781 1.00 0.00 H new ATOM 705 N THR A 55 8.360 5.751 -9.114 1.00 0.00 N ATOM 706 CA THR A 55 9.212 4.847 -8.352 1.00 0.00 C ATOM 707 C THR A 55 8.397 3.721 -7.724 1.00 0.00 C ATOM 708 O THR A 55 7.298 3.946 -7.219 1.00 0.00 O ATOM 709 CB THR A 55 9.973 5.595 -7.240 1.00 0.00 C ATOM 710 OG1 THR A 55 9.044 6.227 -6.351 1.00 0.00 O ATOM 711 CG2 THR A 55 10.905 6.641 -7.833 1.00 0.00 C ATOM 0 H THR A 55 7.512 6.042 -8.628 1.00 0.00 H new ATOM 0 HA THR A 55 9.931 4.424 -9.054 1.00 0.00 H new ATOM 0 HB THR A 55 10.570 4.870 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.217 6.433 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.432 7.156 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.628 6.155 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.324 7.363 -8.407 1.00 0.00 H new ATOM 719 N GLU A 56 8.944 2.510 -7.761 1.00 0.00 N ATOM 720 CA GLU A 56 8.266 1.350 -7.196 1.00 0.00 C ATOM 721 C GLU A 56 8.667 1.142 -5.738 1.00 0.00 C ATOM 722 O GLU A 56 9.810 0.794 -5.441 1.00 0.00 O ATOM 723 CB GLU A 56 8.591 0.095 -8.009 1.00 0.00 C ATOM 724 CG GLU A 56 7.942 0.076 -9.383 1.00 0.00 C ATOM 725 CD GLU A 56 8.762 -0.688 -10.404 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.516 -1.597 -9.999 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.649 -0.378 -11.609 1.00 0.00 O ATOM 0 H GLU A 56 9.854 2.307 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 56 7.192 1.533 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.672 0.018 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.267 -0.783 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.952 -0.374 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.801 1.100 -9.728 1.00 0.00 H new ATOM 734 N ALA A 57 7.718 1.358 -4.832 1.00 0.00 N ATOM 735 CA ALA A 57 7.971 1.193 -3.407 1.00 0.00 C ATOM 736 C ALA A 57 7.501 -0.174 -2.920 1.00 0.00 C ATOM 737 O ALA A 57 6.603 -0.775 -3.507 1.00 0.00 O ATOM 738 CB ALA A 57 7.288 2.300 -2.618 1.00 0.00 C ATOM 0 H ALA A 57 6.767 1.648 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 57 9.047 1.257 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.486 2.164 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.675 3.267 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.213 2.263 -2.795 1.00 0.00 H new ATOM 744 N GLU A 58 8.114 -0.656 -1.844 1.00 0.00 N ATOM 745 CA GLU A 58 7.758 -1.953 -1.280 1.00 0.00 C ATOM 746 C GLU A 58 6.764 -1.794 -0.134 1.00 0.00 C ATOM 747 O GLU A 58 6.722 -0.755 0.525 1.00 0.00 O ATOM 748 CB GLU A 58 9.010 -2.680 -0.786 1.00 0.00 C ATOM 749 CG GLU A 58 9.718 -1.968 0.354 1.00 0.00 C ATOM 750 CD GLU A 58 9.126 -2.306 1.709 1.00 0.00 C ATOM 751 OE1 GLU A 58 9.452 -3.385 2.246 1.00 0.00 O ATOM 752 OE2 GLU A 58 8.338 -1.490 2.232 1.00 0.00 O ATOM 0 H GLU A 58 8.859 -0.169 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 58 7.289 -2.545 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.733 -3.683 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.705 -2.796 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.774 -2.237 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.662 -0.891 0.195 1.00 0.00 H new ATOM 759 N ALA A 59 5.964 -2.830 0.097 1.00 0.00 N ATOM 760 CA ALA A 59 4.971 -2.806 1.163 1.00 0.00 C ATOM 761 C ALA A 59 5.106 -4.027 2.067 1.00 0.00 C ATOM 762 O ALA A 59 5.158 -5.161 1.591 1.00 0.00 O ATOM 763 CB ALA A 59 3.568 -2.734 0.577 1.00 0.00 C ATOM 0 H ALA A 59 5.985 -3.697 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 59 5.146 -1.917 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.837 -2.717 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.470 -1.828 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.392 -3.606 -0.053 1.00 0.00 H new ATOM 769 N ASP A 60 5.163 -3.787 3.372 1.00 0.00 N ATOM 770 CA ASP A 60 5.293 -4.868 4.343 1.00 0.00 C ATOM 771 C ASP A 60 4.014 -5.698 4.406 1.00 0.00 C ATOM 772 O ASP A 60 2.923 -5.161 4.601 1.00 0.00 O ATOM 773 CB ASP A 60 5.618 -4.303 5.727 1.00 0.00 C ATOM 774 CG ASP A 60 7.017 -3.724 5.801 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.987 -4.502 5.688 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.142 -2.493 5.974 1.00 0.00 O ATOM 0 H ASP A 60 5.121 -2.854 3.782 1.00 0.00 H new ATOM 0 HA ASP A 60 6.110 -5.515 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.894 -3.529 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.514 -5.092 6.472 1.00 0.00 H new ATOM 781 N VAL A 61 4.155 -7.009 4.240 1.00 0.00 N ATOM 782 CA VAL A 61 3.012 -7.912 4.277 1.00 0.00 C ATOM 783 C VAL A 61 3.130 -8.899 5.434 1.00 0.00 C ATOM 784 O VAL A 61 4.226 -9.354 5.765 1.00 0.00 O ATOM 785 CB VAL A 61 2.873 -8.697 2.960 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.599 -9.529 2.965 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.894 -7.748 1.770 1.00 0.00 C ATOM 0 H VAL A 61 5.051 -7.469 4.078 1.00 0.00 H new ATOM 0 HA VAL A 61 2.125 -7.294 4.418 1.00 0.00 H new ATOM 0 HB VAL A 61 3.721 -9.376 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.518 -10.077 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.629 -10.235 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.736 -8.873 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.795 -8.319 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.066 -7.044 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.836 -7.200 1.758 1.00 0.00 H new ATOM 797 N ILE A 62 1.996 -9.226 6.043 1.00 0.00 N ATOM 798 CA ILE A 62 1.972 -10.161 7.161 1.00 0.00 C ATOM 799 C ILE A 62 0.820 -11.151 7.026 1.00 0.00 C ATOM 800 O ILE A 62 -0.348 -10.778 7.137 1.00 0.00 O ATOM 801 CB ILE A 62 1.845 -9.424 8.508 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.983 -8.414 8.670 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.847 -10.420 9.658 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.669 -7.053 8.086 1.00 0.00 C ATOM 0 H ILE A 62 1.082 -8.858 5.781 1.00 0.00 H new ATOM 0 HA ILE A 62 2.918 -10.703 7.139 1.00 0.00 H new ATOM 0 HB ILE A 62 0.899 -8.883 8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.211 -8.302 9.730 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.879 -8.808 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.757 -9.885 10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.007 -11.105 9.547 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.779 -10.985 9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.519 -6.388 8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.470 -7.152 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.791 -6.638 8.582 1.00 0.00 H new ATOM 816 N GLU A 63 1.157 -12.414 6.787 1.00 0.00 N ATOM 817 CA GLU A 63 0.150 -13.458 6.638 1.00 0.00 C ATOM 818 C GLU A 63 -0.375 -13.906 7.999 1.00 0.00 C ATOM 819 O GLU A 63 0.283 -13.720 9.022 1.00 0.00 O ATOM 820 CB GLU A 63 0.732 -14.655 5.884 1.00 0.00 C ATOM 821 CG GLU A 63 1.914 -15.301 6.587 1.00 0.00 C ATOM 822 CD GLU A 63 2.101 -16.755 6.199 1.00 0.00 C ATOM 823 OE1 GLU A 63 1.085 -17.438 5.951 1.00 0.00 O ATOM 824 OE2 GLU A 63 3.262 -17.209 6.144 1.00 0.00 O ATOM 0 H GLU A 63 2.119 -12.739 6.692 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.681 -13.046 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.050 -15.402 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.043 -14.332 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.821 -14.746 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.772 -15.232 7.666 1.00 0.00 H new ATOM 831 N ASN A 64 -1.566 -14.496 8.002 1.00 0.00 N ATOM 832 CA ASN A 64 -2.180 -14.971 9.238 1.00 0.00 C ATOM 833 C ASN A 64 -2.624 -16.424 9.100 1.00 0.00 C ATOM 834 O ASN A 64 -2.756 -16.941 7.991 1.00 0.00 O ATOM 835 CB ASN A 64 -3.377 -14.092 9.605 1.00 0.00 C ATOM 836 CG ASN A 64 -2.977 -12.888 10.437 1.00 0.00 C ATOM 837 OD1 ASN A 64 -3.338 -12.781 11.609 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.227 -11.974 9.832 1.00 0.00 N ATOM 0 H ASN A 64 -2.125 -14.657 7.164 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.436 -14.911 10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.868 -13.753 8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.105 -14.686 10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.927 -11.142 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.951 -12.104 8.859 1.00 0.00 H new ATOM 845 N GLU A 65 -2.856 -17.075 10.236 1.00 0.00 N ATOM 846 CA GLU A 65 -3.286 -18.469 10.242 1.00 0.00 C ATOM 847 C GLU A 65 -4.680 -18.611 9.637 1.00 0.00 C ATOM 848 O GLU A 65 -5.018 -19.649 9.068 1.00 0.00 O ATOM 849 CB GLU A 65 -3.278 -19.022 11.669 1.00 0.00 C ATOM 850 CG GLU A 65 -1.913 -18.968 12.335 1.00 0.00 C ATOM 851 CD GLU A 65 -1.883 -19.701 13.662 1.00 0.00 C ATOM 852 OE1 GLU A 65 -2.705 -20.620 13.850 1.00 0.00 O ATOM 853 OE2 GLU A 65 -1.036 -19.354 14.512 1.00 0.00 O ATOM 0 H GLU A 65 -2.754 -16.660 11.162 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.585 -19.042 9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.990 -18.458 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.624 -20.056 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.169 -19.403 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.630 -17.927 12.492 1.00 0.00 H new ATOM 860 N ASP A 66 -5.484 -17.561 9.767 1.00 0.00 N ATOM 861 CA ASP A 66 -6.841 -17.568 9.233 1.00 0.00 C ATOM 862 C ASP A 66 -6.833 -17.342 7.724 1.00 0.00 C ATOM 863 O ASP A 66 -7.783 -17.697 7.029 1.00 0.00 O ATOM 864 CB ASP A 66 -7.686 -16.492 9.918 1.00 0.00 C ATOM 865 CG ASP A 66 -8.928 -16.138 9.124 1.00 0.00 C ATOM 866 OD1 ASP A 66 -9.798 -17.019 8.961 1.00 0.00 O ATOM 867 OD2 ASP A 66 -9.029 -14.981 8.664 1.00 0.00 O ATOM 0 H ASP A 66 -5.220 -16.695 10.237 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.279 -18.546 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.979 -16.840 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.082 -15.596 10.061 1.00 0.00 H new ATOM 872 N GLY A 67 -5.753 -16.747 7.226 1.00 0.00 N ATOM 873 CA GLY A 67 -5.643 -16.483 5.803 1.00 0.00 C ATOM 874 C GLY A 67 -5.766 -15.008 5.476 1.00 0.00 C ATOM 875 O GLY A 67 -6.144 -14.640 4.363 1.00 0.00 O ATOM 0 H GLY A 67 -4.953 -16.443 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.684 -16.854 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.419 -17.035 5.273 1.00 0.00 H new ATOM 879 N THR A 68 -5.449 -14.159 6.449 1.00 0.00 N ATOM 880 CA THR A 68 -5.530 -12.716 6.260 1.00 0.00 C ATOM 881 C THR A 68 -4.141 -12.099 6.139 1.00 0.00 C ATOM 882 O THR A 68 -3.255 -12.376 6.949 1.00 0.00 O ATOM 883 CB THR A 68 -6.280 -12.039 7.423 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.722 -12.454 8.674 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.761 -12.382 7.383 1.00 0.00 C ATOM 0 H THR A 68 -5.134 -14.446 7.376 1.00 0.00 H new ATOM 0 HA THR A 68 -6.081 -12.548 5.335 1.00 0.00 H new ATOM 0 HB THR A 68 -6.170 -10.960 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.203 -12.018 9.408 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.270 -11.893 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.189 -12.038 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.887 -13.462 7.465 1.00 0.00 H new ATOM 893 N TYR A 69 -3.957 -11.262 5.124 1.00 0.00 N ATOM 894 CA TYR A 69 -2.675 -10.607 4.897 1.00 0.00 C ATOM 895 C TYR A 69 -2.747 -9.126 5.258 1.00 0.00 C ATOM 896 O TYR A 69 -3.466 -8.355 4.622 1.00 0.00 O ATOM 897 CB TYR A 69 -2.249 -10.767 3.436 1.00 0.00 C ATOM 898 CG TYR A 69 -1.904 -12.189 3.058 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.829 -13.214 3.215 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.653 -12.509 2.545 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.518 -14.516 2.871 1.00 0.00 C ATOM 902 CE2 TYR A 69 -0.333 -13.807 2.199 1.00 0.00 C ATOM 903 CZ TYR A 69 -1.269 -14.807 2.363 1.00 0.00 C ATOM 904 OH TYR A 69 -0.955 -16.102 2.020 1.00 0.00 O ATOM 0 H TYR A 69 -4.680 -11.021 4.446 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.934 -11.083 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.053 -10.414 2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.385 -10.130 3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.808 -12.989 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.082 -11.729 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.249 -15.301 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.645 -14.038 1.802 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.038 -16.136 1.677 1.00 0.00 H new ATOM 914 N ASP A 70 -1.997 -8.736 6.282 1.00 0.00 N ATOM 915 CA ASP A 70 -1.974 -7.348 6.729 1.00 0.00 C ATOM 916 C ASP A 70 -0.887 -6.562 6.002 1.00 0.00 C ATOM 917 O ASP A 70 0.267 -6.988 5.943 1.00 0.00 O ATOM 918 CB ASP A 70 -1.746 -7.280 8.240 1.00 0.00 C ATOM 919 CG ASP A 70 -3.008 -7.571 9.029 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.903 -6.701 9.057 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.099 -8.667 9.619 1.00 0.00 O ATOM 0 H ASP A 70 -1.396 -9.362 6.819 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.940 -6.900 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.973 -7.995 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.376 -6.290 8.505 1.00 0.00 H new ATOM 926 N ILE A 71 -1.264 -5.414 5.449 1.00 0.00 N ATOM 927 CA ILE A 71 -0.322 -4.568 4.727 1.00 0.00 C ATOM 928 C ILE A 71 -0.412 -3.120 5.196 1.00 0.00 C ATOM 929 O ILE A 71 -1.498 -2.613 5.474 1.00 0.00 O ATOM 930 CB ILE A 71 -0.569 -4.621 3.208 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.621 -6.074 2.728 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.516 -3.852 2.468 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.255 -6.237 1.365 1.00 0.00 C ATOM 0 H ILE A 71 -2.215 -5.048 5.487 1.00 0.00 H new ATOM 0 HA ILE A 71 0.675 -4.954 4.938 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.530 -4.153 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.392 -6.475 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.178 -6.668 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.328 -3.899 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.510 -2.811 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.488 -4.294 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.258 -7.291 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.280 -5.866 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.685 -5.671 0.628 1.00 0.00 H new ATOM 945 N PHE A 72 0.738 -2.458 5.278 1.00 0.00 N ATOM 946 CA PHE A 72 0.790 -1.067 5.712 1.00 0.00 C ATOM 947 C PHE A 72 1.754 -0.263 4.845 1.00 0.00 C ATOM 948 O PHE A 72 2.744 -0.794 4.342 1.00 0.00 O ATOM 949 CB PHE A 72 1.214 -0.983 7.179 1.00 0.00 C ATOM 950 CG PHE A 72 0.494 -1.959 8.067 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.917 -3.274 8.157 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.604 -1.559 8.811 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.258 -4.174 8.975 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.267 -2.454 9.629 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.836 -3.763 9.710 1.00 0.00 C ATOM 0 H PHE A 72 1.646 -2.863 5.050 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.208 -0.642 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.287 -1.162 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.035 0.029 7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.771 -3.601 7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.946 -0.536 8.751 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.599 -5.197 9.039 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.122 -2.130 10.204 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.354 -4.464 10.347 1.00 0.00 H new ATOM 965 N TYR A 73 1.459 1.021 4.675 1.00 0.00 N ATOM 966 CA TYR A 73 2.296 1.899 3.867 1.00 0.00 C ATOM 967 C TYR A 73 2.032 3.364 4.202 1.00 0.00 C ATOM 968 O TYR A 73 1.025 3.700 4.824 1.00 0.00 O ATOM 969 CB TYR A 73 2.046 1.650 2.379 1.00 0.00 C ATOM 970 CG TYR A 73 0.872 2.427 1.825 1.00 0.00 C ATOM 971 CD1 TYR A 73 -0.410 1.893 1.842 1.00 0.00 C ATOM 972 CD2 TYR A 73 1.048 3.695 1.284 1.00 0.00 C ATOM 973 CE1 TYR A 73 -1.484 2.599 1.336 1.00 0.00 C ATOM 974 CE2 TYR A 73 -0.021 4.409 0.778 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.285 3.857 0.805 1.00 0.00 C ATOM 976 OH TYR A 73 -2.352 4.563 0.300 1.00 0.00 O ATOM 0 H TYR A 73 0.645 1.477 5.087 1.00 0.00 H new ATOM 0 HA TYR A 73 3.338 1.676 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.943 1.914 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.874 0.585 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.570 0.909 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.037 4.129 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.474 2.169 1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.132 5.394 0.363 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.042 5.430 -0.034 1.00 0.00 H new ATOM 986 N THR A 74 2.947 4.233 3.784 1.00 0.00 N ATOM 987 CA THR A 74 2.816 5.662 4.038 1.00 0.00 C ATOM 988 C THR A 74 2.970 6.466 2.752 1.00 0.00 C ATOM 989 O THR A 74 3.776 6.123 1.887 1.00 0.00 O ATOM 990 CB THR A 74 3.857 6.149 5.063 1.00 0.00 C ATOM 991 OG1 THR A 74 3.740 5.398 6.276 1.00 0.00 O ATOM 992 CG2 THR A 74 3.675 7.630 5.358 1.00 0.00 C ATOM 0 H THR A 74 3.787 3.972 3.268 1.00 0.00 H new ATOM 0 HA THR A 74 1.817 5.820 4.444 1.00 0.00 H new ATOM 0 HB THR A 74 4.849 5.999 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.407 5.713 6.921 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.422 7.951 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.795 8.202 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.678 7.800 5.763 1.00 0.00 H new ATOM 1000 N ALA A 75 2.194 7.538 2.633 1.00 0.00 N ATOM 1001 CA ALA A 75 2.247 8.393 1.454 1.00 0.00 C ATOM 1002 C ALA A 75 3.028 9.672 1.737 1.00 0.00 C ATOM 1003 O ALA A 75 2.487 10.632 2.286 1.00 0.00 O ATOM 1004 CB ALA A 75 0.841 8.725 0.977 1.00 0.00 C ATOM 0 H ALA A 75 1.521 7.835 3.339 1.00 0.00 H new ATOM 0 HA ALA A 75 2.766 7.849 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.897 9.364 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.316 7.804 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.302 9.245 1.769 1.00 0.00 H new ATOM 1010 N ALA A 76 4.302 9.678 1.359 1.00 0.00 N ATOM 1011 CA ALA A 76 5.156 10.840 1.572 1.00 0.00 C ATOM 1012 C ALA A 76 4.519 12.101 0.999 1.00 0.00 C ATOM 1013 O ALA A 76 4.331 13.092 1.707 1.00 0.00 O ATOM 1014 CB ALA A 76 6.526 10.609 0.952 1.00 0.00 C ATOM 0 H ALA A 76 4.765 8.891 0.904 1.00 0.00 H new ATOM 0 HA ALA A 76 5.275 10.981 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.153 11.485 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.991 9.737 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.417 10.440 -0.119 1.00 0.00 H new ATOM 1020 N LYS A 77 4.190 12.061 -0.287 1.00 0.00 N ATOM 1021 CA LYS A 77 3.574 13.199 -0.956 1.00 0.00 C ATOM 1022 C LYS A 77 2.259 12.797 -1.616 1.00 0.00 C ATOM 1023 O LYS A 77 2.053 11.643 -1.992 1.00 0.00 O ATOM 1024 CB LYS A 77 4.527 13.778 -2.006 1.00 0.00 C ATOM 1025 CG LYS A 77 4.498 13.034 -3.329 1.00 0.00 C ATOM 1026 CD LYS A 77 4.977 11.601 -3.173 1.00 0.00 C ATOM 1027 CE LYS A 77 5.541 11.057 -4.478 1.00 0.00 C ATOM 1028 NZ LYS A 77 6.591 10.027 -4.242 1.00 0.00 N ATOM 0 H LYS A 77 4.340 11.250 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 77 3.365 13.960 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.270 14.823 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.543 13.761 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.484 13.038 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.127 13.552 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.741 11.554 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.149 10.973 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.734 10.624 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.961 11.876 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.661 9.406 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.506 10.495 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.340 9.461 -3.407 1.00 0.00 H new ATOM 1042 N PRO A 78 1.347 13.770 -1.763 1.00 0.00 N ATOM 1043 CA PRO A 78 0.037 13.541 -2.379 1.00 0.00 C ATOM 1044 C PRO A 78 0.140 13.278 -3.878 1.00 0.00 C ATOM 1045 O PRO A 78 1.179 13.517 -4.490 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.713 14.849 -2.116 1.00 0.00 C ATOM 1047 CG PRO A 78 0.357 15.875 -1.969 1.00 0.00 C ATOM 1048 CD PRO A 78 1.524 15.168 -1.338 1.00 0.00 C ATOM 0 HA PRO A 78 -0.458 12.661 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.385 15.093 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.323 14.781 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.632 16.294 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.020 16.704 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.475 15.575 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.512 15.262 -0.252 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.947 12.782 -4.463 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.958 12.495 -5.886 1.00 0.00 C ATOM 1058 C GLY A 79 -1.801 11.282 -6.226 1.00 0.00 C ATOM 1059 O GLY A 79 -2.871 11.078 -5.650 1.00 0.00 O ATOM 0 H GLY A 79 -1.819 12.574 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.340 13.362 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.064 12.331 -6.228 1.00 0.00 H new ATOM 1063 N THR A 80 -1.321 10.474 -7.166 1.00 0.00 N ATOM 1064 CA THR A 80 -2.040 9.277 -7.585 1.00 0.00 C ATOM 1065 C THR A 80 -1.214 8.022 -7.326 1.00 0.00 C ATOM 1066 O THR A 80 -0.192 7.794 -7.973 1.00 0.00 O ATOM 1067 CB THR A 80 -2.407 9.337 -9.080 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.064 10.574 -9.373 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.310 8.174 -9.461 1.00 0.00 C ATOM 0 H THR A 80 -0.437 10.627 -7.652 1.00 0.00 H new ATOM 0 HA THR A 80 -2.956 9.235 -6.995 1.00 0.00 H new ATOM 0 HB THR A 80 -1.488 9.268 -9.661 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.293 10.605 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.556 8.237 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.795 7.234 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.226 8.217 -8.872 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.663 7.210 -6.375 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.965 5.978 -6.029 1.00 0.00 C ATOM 1079 C TYR A 81 -1.668 4.766 -6.631 1.00 0.00 C ATOM 1080 O TYR A 81 -2.889 4.635 -6.544 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.875 5.827 -4.510 1.00 0.00 C ATOM 1082 CG TYR A 81 0.181 6.703 -3.875 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.138 8.086 -4.011 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.223 6.149 -3.141 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.102 8.890 -3.434 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.190 6.947 -2.560 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.125 8.315 -2.709 1.00 0.00 C ATOM 1088 OH TYR A 81 3.087 9.113 -2.133 1.00 0.00 O ATOM 0 H TYR A 81 -2.508 7.383 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 81 0.042 6.033 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.844 6.065 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.664 4.785 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.662 8.539 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.278 5.077 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.055 9.963 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.993 6.500 -1.992 1.00 0.00 H new ATOM 0 HH TYR A 81 2.676 9.946 -1.819 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.889 3.879 -7.241 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.435 2.675 -7.857 1.00 0.00 C ATOM 1100 C VAL A 82 -0.927 1.421 -7.155 1.00 0.00 C ATOM 1101 O VAL A 82 0.254 1.081 -7.245 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.072 2.596 -9.351 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.355 1.204 -9.897 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.832 3.651 -10.141 1.00 0.00 C ATOM 0 H VAL A 82 0.124 3.971 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.519 2.731 -7.756 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.005 2.793 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.092 1.167 -10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.762 0.471 -9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.414 0.975 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.563 3.580 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.904 3.488 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.574 4.642 -9.766 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.827 0.736 -6.457 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.470 -0.483 -5.741 1.00 0.00 C ATOM 1116 C ILE A 83 -1.916 -1.722 -6.509 1.00 0.00 C ATOM 1117 O ILE A 83 -3.087 -1.856 -6.867 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.096 -0.512 -4.334 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.671 0.723 -3.537 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.695 -1.784 -3.602 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.599 1.050 -2.388 1.00 0.00 C ATOM 0 H ILE A 83 -2.808 1.004 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.384 -0.488 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.181 -0.500 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.665 0.566 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.622 1.580 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.145 -1.790 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.042 -2.652 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.610 -1.823 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.236 1.937 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.601 1.240 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.629 0.210 -1.694 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.976 -2.628 -6.757 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.272 -3.857 -7.484 1.00 0.00 C ATOM 1135 C TYR A 84 -1.470 -5.024 -6.522 1.00 0.00 C ATOM 1136 O TYR A 84 -0.599 -5.325 -5.705 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.144 -4.177 -8.466 1.00 0.00 C ATOM 1138 CG TYR A 84 0.049 -3.121 -9.531 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.004 -2.730 -10.348 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.285 -2.514 -9.719 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.831 -1.766 -11.323 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.466 -1.549 -10.690 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.405 -1.178 -11.490 1.00 0.00 C ATOM 1144 OH TYR A 84 0.582 -0.217 -12.459 1.00 0.00 O ATOM 0 H TYR A 84 -0.003 -2.534 -6.465 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.197 -3.707 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.787 -4.296 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.353 -5.133 -8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.974 -3.187 -10.219 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.118 -2.802 -9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.660 -1.475 -11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.433 -1.087 -10.822 1.00 0.00 H new ATOM 0 HH TYR A 84 1.511 0.096 -12.444 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.622 -5.678 -6.624 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.935 -6.814 -5.765 1.00 0.00 C ATOM 1156 C VAL A 85 -3.467 -7.988 -6.579 1.00 0.00 C ATOM 1157 O VAL A 85 -4.261 -7.808 -7.502 1.00 0.00 O ATOM 1158 CB VAL A 85 -3.975 -6.436 -4.692 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.220 -7.606 -3.752 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.520 -5.207 -3.921 1.00 0.00 C ATOM 0 H VAL A 85 -3.354 -5.441 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.006 -7.106 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.916 -6.197 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.957 -7.321 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.592 -8.458 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.287 -7.879 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.266 -4.954 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.568 -5.415 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.400 -4.370 -4.609 1.00 0.00 H new ATOM 1170 N ARG A 86 -3.023 -9.192 -6.231 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.453 -10.397 -6.930 1.00 0.00 C ATOM 1172 C ARG A 86 -3.574 -11.571 -5.963 1.00 0.00 C ATOM 1173 O ARG A 86 -3.216 -11.464 -4.790 1.00 0.00 O ATOM 1174 CB ARG A 86 -2.467 -10.743 -8.048 1.00 0.00 C ATOM 1175 CG ARG A 86 -1.174 -11.367 -7.549 1.00 0.00 C ATOM 1176 CD ARG A 86 -0.278 -11.789 -8.702 1.00 0.00 C ATOM 1177 NE ARG A 86 1.031 -12.242 -8.240 1.00 0.00 N ATOM 1178 CZ ARG A 86 2.048 -11.423 -7.998 1.00 0.00 C ATOM 1179 NH1 ARG A 86 1.908 -10.117 -8.171 1.00 0.00 N ATOM 1180 NH2 ARG A 86 3.210 -11.911 -7.579 1.00 0.00 N ATOM 0 H ARG A 86 -2.366 -9.358 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.433 -10.204 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.947 -11.431 -8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.231 -9.837 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.644 -10.654 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.403 -12.233 -6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.761 -12.589 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.151 -10.951 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 86 1.172 -13.242 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.017 -9.738 -8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.691 -9.491 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.322 -12.916 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.991 -11.281 -7.393 1.00 0.00 H new ATOM 1194 N PHE A 87 -4.083 -12.692 -6.464 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.254 -13.886 -5.645 1.00 0.00 C ATOM 1196 C PHE A 87 -3.800 -15.133 -6.400 1.00 0.00 C ATOM 1197 O PHE A 87 -4.381 -15.500 -7.421 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.717 -14.036 -5.223 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.968 -15.229 -4.346 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.521 -15.247 -3.034 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.653 -16.332 -4.831 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.750 -16.343 -2.224 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.885 -17.431 -4.025 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.434 -17.435 -2.720 1.00 0.00 C ATOM 0 H PHE A 87 -4.384 -12.798 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.636 -13.777 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.029 -13.135 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.338 -14.114 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.988 -14.395 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.010 -16.333 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.394 -16.345 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.418 -18.285 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.616 -18.291 -2.088 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.757 -15.780 -5.889 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.241 -16.977 -6.528 1.00 0.00 C ATOM 1216 C GLY A 88 -1.895 -16.754 -7.986 1.00 0.00 C ATOM 1217 O GLY A 88 -2.158 -17.607 -8.832 1.00 0.00 O ATOM 0 H GLY A 88 -2.260 -15.497 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.352 -17.315 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.981 -17.774 -6.451 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.302 -15.600 -8.282 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.931 -15.287 -9.649 1.00 0.00 C ATOM 1223 C GLY A 89 -2.115 -14.842 -10.485 1.00 0.00 C ATOM 1224 O GLY A 89 -2.132 -15.032 -11.701 1.00 0.00 O ATOM 0 H GLY A 89 -1.073 -14.878 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.176 -14.500 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.475 -16.164 -10.108 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.109 -14.250 -9.831 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.304 -13.778 -10.521 1.00 0.00 C ATOM 1230 C VAL A 90 -4.702 -12.386 -10.041 1.00 0.00 C ATOM 1231 O VAL A 90 -5.184 -12.220 -8.921 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.489 -14.739 -10.314 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.673 -14.320 -11.171 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.074 -16.169 -10.625 1.00 0.00 C ATOM 0 H VAL A 90 -3.111 -14.086 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.061 -13.737 -11.583 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.794 -14.692 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.501 -15.011 -11.011 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.983 -13.312 -10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.385 -14.336 -12.222 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.923 -16.835 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.742 -16.234 -11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.259 -16.463 -9.963 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.495 -11.390 -10.895 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.834 -10.012 -10.560 1.00 0.00 C ATOM 1246 C ASP A 91 -6.343 -9.844 -10.408 1.00 0.00 C ATOM 1247 O ASP A 91 -7.085 -9.909 -11.389 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.308 -9.058 -11.633 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.540 -7.603 -11.279 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.673 -7.011 -10.602 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.588 -7.055 -11.679 1.00 0.00 O ATOM 0 H ASP A 91 -4.094 -11.511 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.362 -9.770 -9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.241 -9.229 -11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.795 -9.280 -12.582 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.789 -9.632 -9.176 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.210 -9.455 -8.897 1.00 0.00 C ATOM 1258 C ILE A 92 -8.829 -8.423 -9.832 1.00 0.00 C ATOM 1259 O ILE A 92 -8.146 -7.556 -10.379 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.448 -9.020 -7.439 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.402 -7.986 -7.015 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.412 -10.228 -6.514 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.722 -7.307 -5.702 1.00 0.00 C ATOM 0 H ILE A 92 -6.188 -9.578 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.687 -10.422 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.434 -8.561 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.431 -8.475 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.314 -7.229 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.582 -9.905 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.190 -10.933 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.438 -10.712 -6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.939 -6.587 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.678 -6.789 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.781 -8.054 -4.911 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.154 -8.514 -10.020 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.895 -7.593 -10.887 1.00 0.00 C ATOM 1277 C PRO A 93 -10.977 -6.186 -10.305 1.00 0.00 C ATOM 1278 O PRO A 93 -11.618 -5.305 -10.874 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.289 -8.221 -10.961 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.413 -9.019 -9.708 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.030 -9.522 -9.400 1.00 0.00 C ATOM 0 HA PRO A 93 -10.413 -7.472 -11.857 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.064 -7.457 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.393 -8.852 -11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.797 -8.407 -8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.109 -9.847 -9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.859 -9.596 -8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.861 -10.514 -9.819 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.319 -5.984 -9.167 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.317 -4.682 -8.508 1.00 0.00 C ATOM 1291 C ASN A 94 -9.020 -3.931 -8.792 1.00 0.00 C ATOM 1292 O ASN A 94 -8.989 -2.701 -8.784 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.501 -4.852 -6.998 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.961 -4.848 -6.589 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.627 -3.813 -6.633 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.467 -6.009 -6.189 1.00 0.00 N ATOM 0 H ASN A 94 -9.782 -6.703 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.148 -4.099 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.041 -5.788 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.979 -4.049 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.444 -6.068 -5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.878 -6.842 -6.168 1.00 0.00 H new ATOM 1303 N SER A 95 -7.951 -4.680 -9.043 1.00 0.00 N ATOM 1304 CA SER A 95 -6.651 -4.085 -9.328 1.00 0.00 C ATOM 1305 C SER A 95 -6.594 -3.562 -10.759 1.00 0.00 C ATOM 1306 O SER A 95 -7.173 -4.138 -11.681 1.00 0.00 O ATOM 1307 CB SER A 95 -5.538 -5.110 -9.102 1.00 0.00 C ATOM 1308 OG SER A 95 -4.366 -4.489 -8.602 1.00 0.00 O ATOM 0 H SER A 95 -7.960 -5.700 -9.055 1.00 0.00 H new ATOM 0 HA SER A 95 -6.506 -3.245 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.878 -5.871 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.312 -5.619 -10.039 1.00 0.00 H new ATOM 0 HG SER A 95 -4.598 -3.920 -7.839 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.878 -2.445 -10.952 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.185 -1.751 -9.863 1.00 0.00 C ATOM 1316 C PRO A 96 -6.152 -1.081 -8.893 1.00 0.00 C ATOM 1317 O PRO A 96 -7.356 -1.015 -9.148 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.344 -0.699 -10.590 1.00 0.00 C ATOM 1319 CG PRO A 96 -5.065 -0.457 -11.872 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.691 -1.771 -12.248 1.00 0.00 C ATOM 0 HA PRO A 96 -4.599 -2.437 -9.252 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.261 0.216 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.330 -1.057 -10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.823 0.317 -11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.379 -0.115 -12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.639 -1.630 -12.768 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.046 -2.348 -12.911 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.621 -0.586 -7.781 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.438 0.079 -6.772 1.00 0.00 C ATOM 1330 C PHE A 97 -6.180 1.582 -6.767 1.00 0.00 C ATOM 1331 O PHE A 97 -5.182 2.051 -6.216 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.151 -0.504 -5.388 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.868 -1.797 -5.120 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.551 -2.940 -5.835 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.860 -1.867 -4.156 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.208 -4.132 -5.592 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.521 -3.056 -3.908 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.196 -4.189 -4.628 1.00 0.00 C ATOM 0 H PHE A 97 -4.627 -0.632 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.486 -0.091 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.078 -0.665 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.437 0.225 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.781 -2.900 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.120 -0.983 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.949 -5.017 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.291 -3.099 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.713 -5.118 -4.438 1.00 0.00 H new ATOM 1348 N THR A 98 -7.085 2.335 -7.384 1.00 0.00 N ATOM 1349 CA THR A 98 -6.955 3.785 -7.453 1.00 0.00 C ATOM 1350 C THR A 98 -7.064 4.412 -6.069 1.00 0.00 C ATOM 1351 O THR A 98 -8.149 4.484 -5.491 1.00 0.00 O ATOM 1352 CB THR A 98 -8.029 4.402 -8.369 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.996 3.773 -9.655 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.810 5.899 -8.527 1.00 0.00 C ATOM 0 H THR A 98 -7.917 1.964 -7.844 1.00 0.00 H new ATOM 0 HA THR A 98 -5.969 3.995 -7.868 1.00 0.00 H new ATOM 0 HB THR A 98 -9.004 4.239 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.683 4.170 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.580 6.313 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.864 6.380 -7.550 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.829 6.079 -8.966 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.932 4.868 -5.540 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.901 5.493 -4.223 1.00 0.00 C ATOM 1364 C VAL A 99 -5.401 6.931 -4.307 1.00 0.00 C ATOM 1365 O VAL A 99 -4.240 7.176 -4.634 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.004 4.705 -3.250 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.973 5.381 -1.887 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.484 3.266 -3.129 1.00 0.00 C ATOM 0 H VAL A 99 -5.025 4.816 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.924 5.490 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.989 4.693 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.335 4.811 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.579 6.392 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.983 5.425 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.839 2.724 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.508 3.254 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.450 2.788 -4.108 1.00 0.00 H new ATOM 1378 N MET A 100 -6.284 7.878 -4.011 1.00 0.00 N ATOM 1379 CA MET A 100 -5.932 9.291 -4.052 1.00 0.00 C ATOM 1380 C MET A 100 -5.456 9.773 -2.685 1.00 0.00 C ATOM 1381 O MET A 100 -6.238 9.852 -1.738 1.00 0.00 O ATOM 1382 CB MET A 100 -7.130 10.125 -4.510 1.00 0.00 C ATOM 1383 CG MET A 100 -6.882 11.624 -4.463 1.00 0.00 C ATOM 1384 SD MET A 100 -5.910 12.213 -5.862 1.00 0.00 S ATOM 1385 CE MET A 100 -5.190 13.701 -5.174 1.00 0.00 C ATOM 0 H MET A 100 -7.250 7.692 -3.740 1.00 0.00 H new ATOM 0 HA MET A 100 -5.118 9.415 -4.766 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.392 9.840 -5.529 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.989 9.887 -3.882 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.839 12.146 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.365 11.874 -3.536 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.559 14.180 -5.923 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.984 14.386 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.587 13.444 -4.303 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.170 10.095 -2.590 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.591 10.570 -1.340 1.00 0.00 C ATOM 1397 C ALA A 101 -3.717 12.084 -1.217 1.00 0.00 C ATOM 1398 O ALA A 101 -2.950 12.833 -1.823 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.132 10.150 -1.241 1.00 0.00 C ATOM 0 H ALA A 101 -3.509 10.035 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.145 10.118 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.712 10.512 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.063 9.063 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.574 10.574 -2.075 1.00 0.00 H new ATOM 1405 N THR A 102 -4.691 12.531 -0.430 1.00 0.00 N ATOM 1406 CA THR A 102 -4.919 13.956 -0.229 1.00 0.00 C ATOM 1407 C THR A 102 -3.970 14.522 0.820 1.00 0.00 C ATOM 1408 O THR A 102 -3.635 13.851 1.796 1.00 0.00 O ATOM 1409 CB THR A 102 -6.369 14.238 0.202 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.723 13.401 1.309 1.00 0.00 O ATOM 1411 CG2 THR A 102 -7.334 13.998 -0.950 1.00 0.00 C ATOM 0 H THR A 102 -5.335 11.925 0.079 1.00 0.00 H new ATOM 0 HA THR A 102 -4.731 14.443 -1.186 1.00 0.00 H new ATOM 0 HB THR A 102 -6.438 15.284 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.647 13.588 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.352 14.204 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.081 14.657 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.261 12.960 -1.276 1.00 0.00 H new