USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= 0.635 K(o=-12,f=-24!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -13.8! C(o=-12!,f=-13!) USER MOD Set 1.3: A 85 SER OG : rot -85:sc= 0.946 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 20:sc= 0.776 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 51:sc= -0.0325 USER MOD Single : A 38 MET CE :methyl -133:sc= -5.12! (180deg=-8.84!) USER MOD Single : A 56 CYS SG : rot -160:sc= -2.32 USER MOD Single : A 69 HIS : no HD1:sc= -2.69! X(o=-2.7!,f=-2.6) USER MOD Single : A 71 SER OG : rot -24:sc= 0.0315 USER MOD Single : A 76 GLN : amide:sc= -0.0139 K(o=-0.014,f=1.2) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -10.153 -15.453 1.501 1.00 0.00 N ATOM 67 CA ARG A 8 -8.949 -15.017 0.814 1.00 0.00 C ATOM 68 C ARG A 8 -8.348 -13.799 1.519 1.00 0.00 C ATOM 69 O ARG A 8 -9.052 -13.071 2.216 1.00 0.00 O ATOM 70 CB ARG A 8 -9.246 -14.659 -0.643 1.00 0.00 C ATOM 71 CG ARG A 8 -9.341 -15.918 -1.509 1.00 0.00 C ATOM 72 CD ARG A 8 -8.551 -15.750 -2.808 1.00 0.00 C ATOM 73 NE ARG A 8 -8.517 -17.031 -3.549 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.486 -17.447 -4.376 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.570 -16.684 -4.575 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.370 -18.624 -5.006 1.00 0.00 N ATOM 0 HA ARG A 8 -8.237 -15.842 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.181 -14.102 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.462 -14.007 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.958 -16.775 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.386 -16.128 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.009 -14.976 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.536 -15.422 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.705 -17.635 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.657 -15.787 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.308 -17.000 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.544 -19.203 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.108 -18.940 -5.635 1.00 0.00 H new ATOM 90 N PRO A 9 -7.018 -13.611 1.307 1.00 0.00 N ATOM 91 CA PRO A 9 -6.313 -12.495 1.913 1.00 0.00 C ATOM 92 C PRO A 9 -6.648 -11.183 1.200 1.00 0.00 C ATOM 93 O PRO A 9 -7.377 -11.179 0.209 1.00 0.00 O ATOM 94 CB PRO A 9 -4.841 -12.862 1.822 1.00 0.00 C ATOM 95 CG PRO A 9 -4.746 -13.944 0.759 1.00 0.00 C ATOM 96 CD PRO A 9 -6.152 -14.454 0.487 1.00 0.00 C ATOM 0 HA PRO A 9 -6.604 -12.327 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.238 -11.995 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.468 -13.223 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.301 -13.545 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.104 -14.757 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.405 -14.372 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.251 -15.505 0.758 1.00 0.00 H new ATOM 104 N HIS A 10 -6.098 -10.101 1.732 1.00 0.00 N ATOM 105 CA HIS A 10 -6.329 -8.786 1.158 1.00 0.00 C ATOM 106 C HIS A 10 -5.069 -8.316 0.427 1.00 0.00 C ATOM 107 O HIS A 10 -4.060 -8.007 1.059 1.00 0.00 O ATOM 108 CB HIS A 10 -6.794 -7.799 2.231 1.00 0.00 C ATOM 109 CG HIS A 10 -8.190 -8.063 2.744 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.323 -7.573 2.120 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.622 -8.771 3.827 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.384 -7.973 2.805 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.948 -8.715 3.863 1.00 0.00 N ATOM 0 H HIS A 10 -5.494 -10.108 2.554 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.133 -8.842 0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.097 -7.834 3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.752 -6.789 1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.992 -9.289 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.414 -7.751 2.567 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.542 -9.154 4.566 1.00 0.00 H new ATOM 121 N VAL A 11 -5.170 -8.278 -0.893 1.00 0.00 N ATOM 122 CA VAL A 11 -4.051 -7.851 -1.717 1.00 0.00 C ATOM 123 C VAL A 11 -4.157 -6.347 -1.974 1.00 0.00 C ATOM 124 O VAL A 11 -4.804 -5.921 -2.930 1.00 0.00 O ATOM 125 CB VAL A 11 -4.005 -8.676 -3.004 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.958 -8.123 -3.973 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.745 -10.153 -2.701 1.00 0.00 C ATOM 0 H VAL A 11 -6.009 -8.536 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.107 -8.026 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.980 -8.600 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.946 -8.728 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.206 -7.093 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.975 -8.154 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.717 -10.716 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.790 -10.256 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.543 -10.540 -2.067 1.00 0.00 H new ATOM 137 N VAL A 12 -3.513 -5.583 -1.104 1.00 0.00 N ATOM 138 CA VAL A 12 -3.526 -4.135 -1.225 1.00 0.00 C ATOM 139 C VAL A 12 -2.502 -3.706 -2.277 1.00 0.00 C ATOM 140 O VAL A 12 -1.368 -4.183 -2.276 1.00 0.00 O ATOM 141 CB VAL A 12 -3.284 -3.494 0.143 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.345 -1.968 0.051 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.277 -4.021 1.180 1.00 0.00 C ATOM 0 H VAL A 12 -2.978 -5.940 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.503 -3.788 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.282 -3.771 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.170 -1.537 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.581 -1.614 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.328 -1.664 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.082 -3.549 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.293 -3.789 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.164 -5.101 1.276 1.00 0.00 H new ATOM 153 N LYS A 13 -2.938 -2.810 -3.150 1.00 0.00 N ATOM 154 CA LYS A 13 -2.073 -2.311 -4.206 1.00 0.00 C ATOM 155 C LYS A 13 -1.636 -0.884 -3.869 1.00 0.00 C ATOM 156 O LYS A 13 -2.416 0.057 -4.008 1.00 0.00 O ATOM 157 CB LYS A 13 -2.759 -2.439 -5.567 1.00 0.00 C ATOM 158 CG LYS A 13 -2.623 -3.860 -6.118 1.00 0.00 C ATOM 159 CD LYS A 13 -3.731 -4.164 -7.129 1.00 0.00 C ATOM 160 CE LYS A 13 -3.222 -4.010 -8.563 1.00 0.00 C ATOM 161 NZ LYS A 13 -3.361 -5.285 -9.302 1.00 0.00 N ATOM 0 H LYS A 13 -3.879 -2.416 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.168 -2.915 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.814 -2.181 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.319 -1.730 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.649 -3.978 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.666 -4.577 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.099 -5.179 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.573 -3.492 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.782 -3.225 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.177 -3.701 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.011 -5.163 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.807 -6.025 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.363 -5.564 -9.327 1.00 0.00 H new ATOM 175 N VAL A 14 -0.390 -0.768 -3.433 1.00 0.00 N ATOM 176 CA VAL A 14 0.160 0.529 -3.076 1.00 0.00 C ATOM 177 C VAL A 14 0.983 1.069 -4.247 1.00 0.00 C ATOM 178 O VAL A 14 1.793 0.347 -4.826 1.00 0.00 O ATOM 179 CB VAL A 14 0.966 0.417 -1.780 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.840 1.654 -1.569 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.045 0.185 -0.581 1.00 0.00 C ATOM 0 H VAL A 14 0.254 -1.551 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.640 1.244 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 14 1.625 -0.447 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.402 1.548 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.534 1.756 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.208 2.540 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.643 0.109 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.650 1.020 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.515 -0.739 -0.726 1.00 0.00 H new ATOM 191 N TYR A 15 0.747 2.335 -4.561 1.00 0.00 N ATOM 192 CA TYR A 15 1.457 2.980 -5.652 1.00 0.00 C ATOM 193 C TYR A 15 2.452 4.015 -5.123 1.00 0.00 C ATOM 194 O TYR A 15 2.175 4.703 -4.142 1.00 0.00 O ATOM 195 CB TYR A 15 0.391 3.694 -6.485 1.00 0.00 C ATOM 196 CG TYR A 15 -0.586 2.750 -7.188 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.610 2.160 -6.475 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.443 2.487 -8.535 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.529 1.270 -7.137 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.362 1.598 -9.197 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.360 1.034 -8.465 1.00 0.00 C ATOM 202 OH TYR A 15 -3.228 0.194 -9.090 1.00 0.00 O ATOM 0 H TYR A 15 0.074 2.931 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 15 2.018 2.247 -6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.172 4.366 -5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.885 4.313 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.722 2.366 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.359 2.948 -9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.334 0.801 -6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.261 1.384 -10.251 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.987 0.120 -10.037 1.00 0.00 H new ATOM 212 N SER A 16 3.591 4.093 -5.796 1.00 0.00 N ATOM 213 CA SER A 16 4.628 5.032 -5.407 1.00 0.00 C ATOM 214 C SER A 16 4.621 6.239 -6.346 1.00 0.00 C ATOM 215 O SER A 16 4.315 6.107 -7.530 1.00 0.00 O ATOM 216 CB SER A 16 6.005 4.365 -5.410 1.00 0.00 C ATOM 217 OG SER A 16 6.771 4.714 -4.260 1.00 0.00 O ATOM 0 H SER A 16 3.818 3.520 -6.609 1.00 0.00 H new ATOM 0 HA SER A 16 4.420 5.369 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.883 3.283 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.547 4.658 -6.309 1.00 0.00 H new ATOM 0 HG SER A 16 7.642 4.267 -4.299 1.00 0.00 H new ATOM 223 N GLU A 17 4.962 7.389 -5.783 1.00 0.00 N ATOM 224 CA GLU A 17 4.999 8.619 -6.556 1.00 0.00 C ATOM 225 C GLU A 17 5.575 8.354 -7.949 1.00 0.00 C ATOM 226 O GLU A 17 4.909 8.589 -8.955 1.00 0.00 O ATOM 227 CB GLU A 17 5.800 9.700 -5.829 1.00 0.00 C ATOM 228 CG GLU A 17 4.871 10.697 -5.134 1.00 0.00 C ATOM 229 CD GLU A 17 5.400 12.126 -5.269 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.593 12.322 -4.951 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.600 12.991 -5.686 1.00 0.00 O ATOM 0 H GLU A 17 5.215 7.495 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 17 3.978 8.984 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.458 9.237 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.437 10.226 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.873 10.633 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.778 10.438 -4.079 1.00 0.00 H new ATOM 238 N ASP A 18 6.807 7.867 -7.962 1.00 0.00 N ATOM 239 CA ASP A 18 7.481 7.567 -9.214 1.00 0.00 C ATOM 240 C ASP A 18 6.485 6.926 -10.183 1.00 0.00 C ATOM 241 O ASP A 18 6.435 7.289 -11.357 1.00 0.00 O ATOM 242 CB ASP A 18 8.631 6.582 -8.999 1.00 0.00 C ATOM 243 CG ASP A 18 8.413 5.569 -7.873 1.00 0.00 C ATOM 244 OD1 ASP A 18 7.847 4.497 -8.177 1.00 0.00 O ATOM 245 OD2 ASP A 18 8.818 5.889 -6.735 1.00 0.00 O ATOM 0 H ASP A 18 7.356 7.673 -7.125 1.00 0.00 H new ATOM 0 HA ASP A 18 7.876 8.500 -9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.802 6.038 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.539 7.147 -8.788 1.00 0.00 H new ATOM 250 N GLY A 19 5.717 5.984 -9.655 1.00 0.00 N ATOM 251 CA GLY A 19 4.725 5.290 -10.458 1.00 0.00 C ATOM 252 C GLY A 19 4.715 3.793 -10.142 1.00 0.00 C ATOM 253 O GLY A 19 3.679 3.138 -10.252 1.00 0.00 O ATOM 0 H GLY A 19 5.762 5.685 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.738 5.712 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.938 5.441 -11.516 1.00 0.00 H new ATOM 257 N ALA A 20 5.880 3.294 -9.756 1.00 0.00 N ATOM 258 CA ALA A 20 6.019 1.886 -9.424 1.00 0.00 C ATOM 259 C ALA A 20 4.859 1.464 -8.519 1.00 0.00 C ATOM 260 O ALA A 20 4.621 2.081 -7.481 1.00 0.00 O ATOM 261 CB ALA A 20 7.383 1.646 -8.774 1.00 0.00 C ATOM 0 H ALA A 20 6.737 3.840 -9.666 1.00 0.00 H new ATOM 0 HA ALA A 20 5.976 1.273 -10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.487 0.590 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.173 1.935 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.463 2.242 -7.865 1.00 0.00 H new ATOM 267 N CYS A 21 4.170 0.416 -8.944 1.00 0.00 N ATOM 268 CA CYS A 21 3.042 -0.096 -8.185 1.00 0.00 C ATOM 269 C CYS A 21 3.435 -1.452 -7.595 1.00 0.00 C ATOM 270 O CYS A 21 3.939 -2.320 -8.306 1.00 0.00 O ATOM 271 CB CYS A 21 1.779 -0.192 -9.043 1.00 0.00 C ATOM 272 SG CYS A 21 1.949 -1.551 -10.257 1.00 0.00 S ATOM 0 H CYS A 21 4.371 -0.093 -9.805 1.00 0.00 H new ATOM 0 HA CYS A 21 2.801 0.595 -7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.910 -0.367 -8.408 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.609 0.751 -9.562 1.00 0.00 H new ATOM 0 HG CYS A 21 2.871 -2.376 -9.858 1.00 0.00 H new ATOM 278 N ARG A 22 3.189 -1.592 -6.300 1.00 0.00 N ATOM 279 CA ARG A 22 3.511 -2.827 -5.607 1.00 0.00 C ATOM 280 C ARG A 22 2.341 -3.260 -4.722 1.00 0.00 C ATOM 281 O ARG A 22 1.615 -2.420 -4.192 1.00 0.00 O ATOM 282 CB ARG A 22 4.762 -2.663 -4.741 1.00 0.00 C ATOM 283 CG ARG A 22 4.498 -1.712 -3.571 1.00 0.00 C ATOM 284 CD ARG A 22 5.784 -1.004 -3.140 1.00 0.00 C ATOM 285 NE ARG A 22 6.186 -0.015 -4.165 1.00 0.00 N ATOM 286 CZ ARG A 22 7.359 0.633 -4.164 1.00 0.00 C ATOM 287 NH1 ARG A 22 8.252 0.402 -3.193 1.00 0.00 N ATOM 288 NH2 ARG A 22 7.638 1.513 -5.135 1.00 0.00 N ATOM 0 H ARG A 22 2.770 -0.870 -5.713 1.00 0.00 H new ATOM 0 HA ARG A 22 3.702 -3.590 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.075 -3.635 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.582 -2.279 -5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.751 -0.973 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.086 -2.270 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.631 -0.506 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.580 -1.734 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 22 5.529 0.186 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.040 -0.268 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.145 0.896 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.958 1.689 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.531 2.007 -5.135 1.00 0.00 H new ATOM 302 N SER A 23 2.193 -4.570 -4.590 1.00 0.00 N ATOM 303 CA SER A 23 1.123 -5.125 -3.779 1.00 0.00 C ATOM 304 C SER A 23 1.708 -5.998 -2.667 1.00 0.00 C ATOM 305 O SER A 23 2.696 -6.698 -2.878 1.00 0.00 O ATOM 306 CB SER A 23 0.148 -5.936 -4.633 1.00 0.00 C ATOM 307 OG SER A 23 0.825 -6.821 -5.522 1.00 0.00 O ATOM 0 H SER A 23 2.797 -5.263 -5.031 1.00 0.00 H new ATOM 0 HA SER A 23 0.570 -4.299 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.512 -6.510 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.482 -5.257 -5.208 1.00 0.00 H new ATOM 0 HG SER A 23 0.168 -7.322 -6.048 1.00 0.00 H new ATOM 313 N VAL A 24 1.072 -5.927 -1.506 1.00 0.00 N ATOM 314 CA VAL A 24 1.517 -6.703 -0.361 1.00 0.00 C ATOM 315 C VAL A 24 0.356 -7.557 0.153 1.00 0.00 C ATOM 316 O VAL A 24 -0.802 -7.148 0.077 1.00 0.00 O ATOM 317 CB VAL A 24 2.093 -5.773 0.708 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.436 -5.191 0.263 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.103 -4.661 1.060 1.00 0.00 C ATOM 0 H VAL A 24 0.253 -5.344 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 24 2.319 -7.383 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 24 2.266 -6.364 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.823 -4.533 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.143 -6.001 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.299 -4.623 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.538 -4.014 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.883 -4.074 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.181 -5.101 1.441 1.00 0.00 H new ATOM 329 N GLU A 25 0.706 -8.729 0.663 1.00 0.00 N ATOM 330 CA GLU A 25 -0.292 -9.644 1.189 1.00 0.00 C ATOM 331 C GLU A 25 -0.628 -9.288 2.639 1.00 0.00 C ATOM 332 O GLU A 25 0.235 -9.353 3.514 1.00 0.00 O ATOM 333 CB GLU A 25 0.182 -11.095 1.077 1.00 0.00 C ATOM 334 CG GLU A 25 -0.689 -11.882 0.095 1.00 0.00 C ATOM 335 CD GLU A 25 -0.663 -13.377 0.417 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.315 -13.755 1.414 1.00 0.00 O ATOM 337 OE2 GLU A 25 0.007 -14.110 -0.343 1.00 0.00 O ATOM 0 H GLU A 25 1.667 -9.066 0.723 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.198 -9.544 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.220 -11.118 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.149 -11.569 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.714 -11.515 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.334 -11.719 -0.923 1.00 0.00 H new ATOM 344 N VAL A 26 -1.883 -8.920 2.848 1.00 0.00 N ATOM 345 CA VAL A 26 -2.344 -8.553 4.177 1.00 0.00 C ATOM 346 C VAL A 26 -3.713 -9.186 4.429 1.00 0.00 C ATOM 347 O VAL A 26 -4.367 -9.652 3.498 1.00 0.00 O ATOM 348 CB VAL A 26 -2.352 -7.030 4.326 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.947 -6.453 4.138 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.343 -6.389 3.352 1.00 0.00 C ATOM 0 H VAL A 26 -2.595 -8.868 2.120 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.664 -8.936 4.937 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.678 -6.794 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.981 -5.369 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.277 -6.874 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.581 -6.705 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.329 -5.306 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.061 -6.638 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.346 -6.765 3.554 1.00 0.00 H new ATOM 360 N ALA A 27 -4.107 -9.182 5.695 1.00 0.00 N ATOM 361 CA ALA A 27 -5.387 -9.750 6.082 1.00 0.00 C ATOM 362 C ALA A 27 -6.168 -8.722 6.904 1.00 0.00 C ATOM 363 O ALA A 27 -5.665 -7.636 7.187 1.00 0.00 O ATOM 364 CB ALA A 27 -5.157 -11.055 6.847 1.00 0.00 C ATOM 0 H ALA A 27 -3.562 -8.794 6.465 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.983 -9.990 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.118 -11.481 7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.625 -11.761 6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.565 -10.854 7.740 1.00 0.00 H new ATOM 370 N ALA A 28 -7.386 -9.102 7.263 1.00 0.00 N ATOM 371 CA ALA A 28 -8.241 -8.227 8.047 1.00 0.00 C ATOM 372 C ALA A 28 -7.625 -8.025 9.432 1.00 0.00 C ATOM 373 O ALA A 28 -8.054 -8.648 10.403 1.00 0.00 O ATOM 374 CB ALA A 28 -9.651 -8.819 8.116 1.00 0.00 C ATOM 0 H ALA A 28 -7.800 -10.003 7.026 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.321 -7.247 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.293 -8.163 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.055 -8.914 7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.610 -9.802 8.585 1.00 0.00 H new ATOM 380 N GLY A 29 -6.629 -7.153 9.480 1.00 0.00 N ATOM 381 CA GLY A 29 -5.949 -6.862 10.731 1.00 0.00 C ATOM 382 C GLY A 29 -4.797 -5.878 10.513 1.00 0.00 C ATOM 383 O GLY A 29 -4.681 -4.884 11.228 1.00 0.00 O ATOM 0 H GLY A 29 -6.276 -6.638 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.658 -6.445 11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.566 -7.786 11.164 1.00 0.00 H new ATOM 387 N ALA A 30 -3.975 -6.190 9.522 1.00 0.00 N ATOM 388 CA ALA A 30 -2.837 -5.346 9.200 1.00 0.00 C ATOM 389 C ALA A 30 -3.274 -3.880 9.216 1.00 0.00 C ATOM 390 O ALA A 30 -4.409 -3.563 8.864 1.00 0.00 O ATOM 391 CB ALA A 30 -2.255 -5.767 7.849 1.00 0.00 C ATOM 0 H ALA A 30 -4.074 -7.016 8.931 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.049 -5.463 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.401 -5.134 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.933 -6.807 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.016 -5.661 7.076 1.00 0.00 H new ATOM 397 N THR A 31 -2.349 -3.025 9.627 1.00 0.00 N ATOM 398 CA THR A 31 -2.625 -1.600 9.693 1.00 0.00 C ATOM 399 C THR A 31 -1.784 -0.845 8.661 1.00 0.00 C ATOM 400 O THR A 31 -0.972 -1.446 7.958 1.00 0.00 O ATOM 401 CB THR A 31 -2.381 -1.137 11.131 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.003 -1.422 11.359 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.115 -2.002 12.157 1.00 0.00 C ATOM 0 H THR A 31 -1.408 -3.292 9.917 1.00 0.00 H new ATOM 0 HA THR A 31 -3.663 -1.386 9.439 1.00 0.00 H new ATOM 0 HB THR A 31 -2.699 -0.100 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.759 -1.151 12.269 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.908 -1.631 13.161 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.188 -1.959 11.968 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.773 -3.034 12.074 1.00 0.00 H new ATOM 411 N ALA A 32 -2.006 0.459 8.603 1.00 0.00 N ATOM 412 CA ALA A 32 -1.279 1.302 7.669 1.00 0.00 C ATOM 413 C ALA A 32 0.224 1.131 7.899 1.00 0.00 C ATOM 414 O ALA A 32 1.009 1.181 6.953 1.00 0.00 O ATOM 415 CB ALA A 32 -1.733 2.754 7.831 1.00 0.00 C ATOM 0 H ALA A 32 -2.680 0.953 9.188 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.491 1.008 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.187 3.386 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.802 2.826 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.534 3.086 8.850 1.00 0.00 H new ATOM 421 N ARG A 33 0.579 0.933 9.160 1.00 0.00 N ATOM 422 CA ARG A 33 1.974 0.754 9.525 1.00 0.00 C ATOM 423 C ARG A 33 2.514 -0.551 8.937 1.00 0.00 C ATOM 424 O ARG A 33 3.601 -0.573 8.362 1.00 0.00 O ATOM 425 CB ARG A 33 2.146 0.730 11.045 1.00 0.00 C ATOM 426 CG ARG A 33 3.397 -0.056 11.443 1.00 0.00 C ATOM 427 CD ARG A 33 4.659 0.600 10.878 1.00 0.00 C ATOM 428 NE ARG A 33 5.751 0.538 11.874 1.00 0.00 N ATOM 429 CZ ARG A 33 5.848 1.353 12.934 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.919 2.296 13.141 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.874 1.224 13.786 1.00 0.00 N ATOM 0 H ARG A 33 -0.075 0.893 9.942 1.00 0.00 H new ATOM 0 HA ARG A 33 2.534 1.597 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.218 1.750 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.267 0.280 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.466 -0.111 12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.320 -1.080 11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.963 0.094 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.453 1.638 10.616 1.00 0.00 H new ATOM 0 HE ARG A 33 6.475 -0.169 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.138 2.394 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.993 2.916 13.947 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.581 0.506 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.948 1.844 14.593 1.00 0.00 H new ATOM 445 N HIS A 34 1.729 -1.606 9.100 1.00 0.00 N ATOM 446 CA HIS A 34 2.115 -2.911 8.592 1.00 0.00 C ATOM 447 C HIS A 34 2.633 -2.772 7.159 1.00 0.00 C ATOM 448 O HIS A 34 3.777 -3.120 6.872 1.00 0.00 O ATOM 449 CB HIS A 34 0.957 -3.904 8.710 1.00 0.00 C ATOM 450 CG HIS A 34 0.946 -4.684 10.004 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.862 -4.076 11.245 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.008 -6.026 10.236 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.875 -5.020 12.174 1.00 0.00 C ATOM 454 NE2 HIS A 34 0.966 -6.228 11.547 1.00 0.00 N ATOM 0 H HIS A 34 0.828 -1.583 9.577 1.00 0.00 H new ATOM 0 HA HIS A 34 2.927 -3.315 9.197 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.016 -3.362 8.616 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.006 -4.604 7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.079 -6.795 9.481 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.823 -4.861 13.241 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.997 -7.137 12.009 1.00 0.00 H new ATOM 462 N VAL A 35 1.765 -2.262 6.298 1.00 0.00 N ATOM 463 CA VAL A 35 2.120 -2.072 4.902 1.00 0.00 C ATOM 464 C VAL A 35 3.456 -1.331 4.816 1.00 0.00 C ATOM 465 O VAL A 35 4.424 -1.850 4.262 1.00 0.00 O ATOM 466 CB VAL A 35 0.988 -1.352 4.167 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.454 -0.851 2.798 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.240 -2.255 4.031 1.00 0.00 C ATOM 0 H VAL A 35 0.817 -1.975 6.540 1.00 0.00 H new ATOM 0 HA VAL A 35 2.250 -3.034 4.407 1.00 0.00 H new ATOM 0 HB VAL A 35 0.702 -0.485 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.630 -0.343 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.284 -0.156 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.781 -1.697 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.030 -1.719 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.027 -3.150 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.593 -2.540 5.022 1.00 0.00 H new ATOM 478 N CYS A 36 3.465 -0.129 5.373 1.00 0.00 N ATOM 479 CA CYS A 36 4.666 0.690 5.366 1.00 0.00 C ATOM 480 C CYS A 36 5.863 -0.212 5.675 1.00 0.00 C ATOM 481 O CYS A 36 6.856 -0.202 4.949 1.00 0.00 O ATOM 482 CB CYS A 36 4.561 1.857 6.350 1.00 0.00 C ATOM 483 SG CYS A 36 6.121 2.813 6.356 1.00 0.00 S ATOM 0 H CYS A 36 2.660 0.298 5.832 1.00 0.00 H new ATOM 0 HA CYS A 36 4.796 1.141 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.729 2.504 6.072 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.351 1.481 7.351 1.00 0.00 H new ATOM 0 HG CYS A 36 6.453 3.109 5.135 1.00 0.00 H new ATOM 489 N GLU A 37 5.730 -0.968 6.755 1.00 0.00 N ATOM 490 CA GLU A 37 6.789 -1.874 7.169 1.00 0.00 C ATOM 491 C GLU A 37 7.026 -2.939 6.097 1.00 0.00 C ATOM 492 O GLU A 37 8.169 -3.269 5.787 1.00 0.00 O ATOM 493 CB GLU A 37 6.463 -2.516 8.519 1.00 0.00 C ATOM 494 CG GLU A 37 6.775 -1.560 9.671 1.00 0.00 C ATOM 495 CD GLU A 37 8.149 -1.857 10.275 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.129 -1.823 9.500 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.188 -2.113 11.498 1.00 0.00 O ATOM 0 H GLU A 37 4.906 -0.972 7.356 1.00 0.00 H new ATOM 0 HA GLU A 37 7.707 -1.299 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.410 -2.794 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.039 -3.434 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.747 -0.531 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.008 -1.650 10.441 1.00 0.00 H new ATOM 504 N MET A 38 5.926 -3.448 5.560 1.00 0.00 N ATOM 505 CA MET A 38 6.000 -4.469 4.529 1.00 0.00 C ATOM 506 C MET A 38 6.606 -3.906 3.242 1.00 0.00 C ATOM 507 O MET A 38 7.128 -4.656 2.418 1.00 0.00 O ATOM 508 CB MET A 38 4.597 -5.006 4.241 1.00 0.00 C ATOM 509 CG MET A 38 4.041 -5.764 5.448 1.00 0.00 C ATOM 510 SD MET A 38 2.281 -5.997 5.265 1.00 0.00 S ATOM 511 CE MET A 38 2.261 -7.150 3.902 1.00 0.00 C ATOM 0 H MET A 38 4.979 -3.172 5.820 1.00 0.00 H new ATOM 0 HA MET A 38 6.641 -5.275 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.932 -4.180 3.988 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.628 -5.667 3.375 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.536 -6.731 5.540 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.250 -5.210 6.363 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.531 -6.824 3.161 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.250 -7.190 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.990 -8.141 4.267 1.00 0.00 H new ATOM 521 N LEU A 39 6.517 -2.591 3.110 1.00 0.00 N ATOM 522 CA LEU A 39 7.050 -1.919 1.937 1.00 0.00 C ATOM 523 C LEU A 39 8.517 -1.559 2.183 1.00 0.00 C ATOM 524 O LEU A 39 9.396 -1.970 1.427 1.00 0.00 O ATOM 525 CB LEU A 39 6.177 -0.720 1.563 1.00 0.00 C ATOM 526 CG LEU A 39 4.712 -1.029 1.247 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.903 0.259 1.083 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.596 -1.939 0.023 1.00 0.00 C ATOM 0 H LEU A 39 6.084 -1.973 3.796 1.00 0.00 H new ATOM 0 HA LEU A 39 7.025 -2.584 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.208 -0.004 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.620 -0.230 0.696 1.00 0.00 H new ATOM 0 HG LEU A 39 4.287 -1.570 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.866 0.011 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.947 0.836 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.319 0.849 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.545 -2.143 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.043 -1.446 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.117 -2.877 0.216 1.00 0.00 H new ATOM 540 N VAL A 40 8.735 -0.795 3.244 1.00 0.00 N ATOM 541 CA VAL A 40 10.080 -0.375 3.599 1.00 0.00 C ATOM 542 C VAL A 40 10.998 -1.598 3.638 1.00 0.00 C ATOM 543 O VAL A 40 12.111 -1.560 3.116 1.00 0.00 O ATOM 544 CB VAL A 40 10.055 0.396 4.920 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.424 1.778 4.737 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.328 -0.400 6.006 1.00 0.00 C ATOM 0 H VAL A 40 8.003 -0.456 3.869 1.00 0.00 H new ATOM 0 HA VAL A 40 10.479 0.306 2.847 1.00 0.00 H new ATOM 0 HB VAL A 40 11.086 0.539 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.419 2.305 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.002 2.349 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.401 1.666 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.325 0.171 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.301 -0.589 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.840 -1.349 6.165 1.00 0.00 H new ATOM 705 N TRP A 51 7.187 7.593 8.072 1.00 0.00 N ATOM 706 CA TRP A 51 6.513 7.151 6.863 1.00 0.00 C ATOM 707 C TRP A 51 5.066 6.810 7.226 1.00 0.00 C ATOM 708 O TRP A 51 4.723 6.717 8.404 1.00 0.00 O ATOM 709 CB TRP A 51 7.258 5.982 6.216 1.00 0.00 C ATOM 710 CG TRP A 51 8.538 6.388 5.484 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.733 6.684 6.014 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.704 6.533 4.058 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.653 7.007 5.038 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.008 6.912 3.810 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.783 6.349 3.011 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.509 7.140 2.523 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.300 6.581 1.731 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.609 6.964 1.465 1.00 0.00 C ATOM 0 HA TRP A 51 6.507 7.943 6.114 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.508 5.253 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.591 5.485 5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.949 6.671 7.072 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.627 7.268 5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.759 6.052 3.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.534 7.436 2.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.634 6.453 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.931 7.125 0.447 1.00 0.00 H new ATOM 729 N GLY A 52 4.256 6.634 6.193 1.00 0.00 N ATOM 730 CA GLY A 52 2.854 6.306 6.388 1.00 0.00 C ATOM 731 C GLY A 52 2.148 6.096 5.047 1.00 0.00 C ATOM 732 O GLY A 52 2.737 6.316 3.990 1.00 0.00 O ATOM 0 H GLY A 52 4.544 6.712 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.769 5.403 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.363 7.107 6.940 1.00 0.00 H new ATOM 736 N LEU A 53 0.896 5.671 5.134 1.00 0.00 N ATOM 737 CA LEU A 53 0.104 5.428 3.941 1.00 0.00 C ATOM 738 C LEU A 53 -0.773 6.650 3.658 1.00 0.00 C ATOM 739 O LEU A 53 -1.195 7.342 4.583 1.00 0.00 O ATOM 740 CB LEU A 53 -0.685 4.124 4.078 1.00 0.00 C ATOM 741 CG LEU A 53 -0.108 2.911 3.344 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.103 1.749 3.340 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.339 3.287 1.930 1.00 0.00 C ATOM 0 H LEU A 53 0.411 5.489 6.013 1.00 0.00 H new ATOM 0 HA LEU A 53 0.752 5.293 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.763 3.879 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.698 4.296 3.715 1.00 0.00 H new ATOM 0 HG LEU A 53 0.778 2.575 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.669 0.900 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.330 1.461 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.020 2.057 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.745 2.407 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.515 3.663 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.106 4.060 1.984 1.00 0.00 H new ATOM 755 N VAL A 54 -1.020 6.877 2.376 1.00 0.00 N ATOM 756 CA VAL A 54 -1.838 8.003 1.960 1.00 0.00 C ATOM 757 C VAL A 54 -2.804 7.549 0.865 1.00 0.00 C ATOM 758 O VAL A 54 -2.381 7.201 -0.236 1.00 0.00 O ATOM 759 CB VAL A 54 -0.945 9.167 1.525 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.780 10.315 0.954 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.069 9.649 2.683 1.00 0.00 C ATOM 0 H VAL A 54 -0.668 6.300 1.612 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.439 8.366 2.793 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.286 8.807 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.121 11.129 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.340 9.962 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.475 10.673 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.556 10.477 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.703 9.983 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.565 8.831 3.024 1.00 0.00 H new ATOM 771 N GLU A 55 -4.085 7.566 1.205 1.00 0.00 N ATOM 772 CA GLU A 55 -5.115 7.160 0.264 1.00 0.00 C ATOM 773 C GLU A 55 -5.274 8.213 -0.836 1.00 0.00 C ATOM 774 O GLU A 55 -5.330 9.408 -0.552 1.00 0.00 O ATOM 775 CB GLU A 55 -6.444 6.910 0.979 1.00 0.00 C ATOM 776 CG GLU A 55 -7.086 8.227 1.419 1.00 0.00 C ATOM 777 CD GLU A 55 -7.822 8.060 2.751 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.201 7.490 3.674 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.988 8.506 2.814 1.00 0.00 O ATOM 0 H GLU A 55 -4.433 7.855 2.119 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.807 6.222 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.123 6.374 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.279 6.273 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.319 8.995 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.783 8.569 0.654 1.00 0.00 H new ATOM 786 N CYS A 56 -5.342 7.730 -2.068 1.00 0.00 N ATOM 787 CA CYS A 56 -5.493 8.614 -3.211 1.00 0.00 C ATOM 788 C CYS A 56 -6.845 8.324 -3.867 1.00 0.00 C ATOM 789 O CYS A 56 -7.281 7.175 -3.915 1.00 0.00 O ATOM 790 CB CYS A 56 -4.335 8.464 -4.199 1.00 0.00 C ATOM 791 SG CYS A 56 -3.052 9.724 -3.856 1.00 0.00 S ATOM 0 H CYS A 56 -5.295 6.738 -2.299 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.467 9.651 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.906 7.465 -4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.701 8.574 -5.220 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.303 9.877 -4.907 1.00 0.00 H new ATOM 797 N HIS A 57 -7.469 9.385 -4.356 1.00 0.00 N ATOM 798 CA HIS A 57 -8.762 9.258 -5.007 1.00 0.00 C ATOM 799 C HIS A 57 -8.626 9.609 -6.490 1.00 0.00 C ATOM 800 O HIS A 57 -8.720 10.776 -6.867 1.00 0.00 O ATOM 801 CB HIS A 57 -9.816 10.106 -4.291 1.00 0.00 C ATOM 802 CG HIS A 57 -10.153 9.622 -2.901 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.357 8.286 -2.601 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.319 10.308 -1.734 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.633 8.185 -1.309 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.609 9.439 -0.774 1.00 0.00 N ATOM 0 H HIS A 57 -7.104 10.336 -4.315 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.106 8.226 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.460 11.134 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.726 10.119 -4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.230 11.377 -1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.841 7.270 -0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.785 9.671 0.204 1.00 0.00 H new ATOM 814 N PRO A 58 -8.402 8.550 -7.312 1.00 0.00 N ATOM 815 CA PRO A 58 -8.252 8.734 -8.746 1.00 0.00 C ATOM 816 C PRO A 58 -9.604 9.006 -9.408 1.00 0.00 C ATOM 817 O PRO A 58 -10.000 8.298 -10.333 1.00 0.00 O ATOM 818 CB PRO A 58 -7.595 7.456 -9.240 1.00 0.00 C ATOM 819 CG PRO A 58 -7.824 6.421 -8.151 1.00 0.00 C ATOM 820 CD PRO A 58 -8.285 7.154 -6.901 1.00 0.00 C ATOM 0 HA PRO A 58 -7.642 9.602 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.032 7.132 -10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.530 7.608 -9.417 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.573 5.695 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.907 5.867 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.238 6.765 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.568 7.039 -6.088 1.00 0.00 H new ATOM 828 N HIS A 59 -10.276 10.033 -8.908 1.00 0.00 N ATOM 829 CA HIS A 59 -11.575 10.407 -9.440 1.00 0.00 C ATOM 830 C HIS A 59 -11.962 11.794 -8.922 1.00 0.00 C ATOM 831 O HIS A 59 -12.473 12.621 -9.675 1.00 0.00 O ATOM 832 CB HIS A 59 -12.623 9.340 -9.115 1.00 0.00 C ATOM 833 CG HIS A 59 -12.658 8.936 -7.661 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.526 8.554 -6.961 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.698 8.860 -6.782 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.881 8.262 -5.719 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.228 8.452 -5.609 1.00 0.00 N ATOM 0 H HIS A 59 -9.945 10.617 -8.140 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.524 10.464 -10.527 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.607 9.712 -9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.427 8.456 -9.722 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.729 9.092 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.220 7.931 -4.931 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.782 8.305 -4.765 1.00 0.00 H new ATOM 845 N LEU A 60 -11.702 12.005 -7.640 1.00 0.00 N ATOM 846 CA LEU A 60 -12.016 13.277 -7.013 1.00 0.00 C ATOM 847 C LEU A 60 -10.738 14.109 -6.887 1.00 0.00 C ATOM 848 O LEU A 60 -10.778 15.252 -6.435 1.00 0.00 O ATOM 849 CB LEU A 60 -12.738 13.055 -5.682 1.00 0.00 C ATOM 850 CG LEU A 60 -13.512 11.742 -5.550 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.236 11.665 -4.204 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.470 11.550 -6.728 1.00 0.00 C ATOM 0 H LEU A 60 -11.277 11.316 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.708 13.846 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.002 13.102 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.433 13.880 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.797 10.920 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.778 10.722 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.508 11.724 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.938 12.494 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.008 10.609 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.182 12.374 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.903 11.529 -7.659 1.00 0.00 H new ATOM 864 N ALA A 61 -9.633 13.502 -7.296 1.00 0.00 N ATOM 865 CA ALA A 61 -8.345 14.172 -7.235 1.00 0.00 C ATOM 866 C ALA A 61 -8.089 14.646 -5.804 1.00 0.00 C ATOM 867 O ALA A 61 -7.729 15.802 -5.584 1.00 0.00 O ATOM 868 CB ALA A 61 -8.320 15.323 -8.244 1.00 0.00 C ATOM 0 H ALA A 61 -9.603 12.554 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.542 13.485 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.354 15.826 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.478 14.930 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.111 16.034 -8.005 1.00 0.00 H new ATOM 874 N LEU A 62 -8.284 13.730 -4.867 1.00 0.00 N ATOM 875 CA LEU A 62 -8.079 14.040 -3.462 1.00 0.00 C ATOM 876 C LEU A 62 -6.960 13.155 -2.908 1.00 0.00 C ATOM 877 O LEU A 62 -6.660 12.103 -3.469 1.00 0.00 O ATOM 878 CB LEU A 62 -9.394 13.924 -2.690 1.00 0.00 C ATOM 879 CG LEU A 62 -9.845 15.179 -1.940 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.131 16.325 -2.913 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.045 14.879 -1.040 1.00 0.00 C ATOM 0 H LEU A 62 -8.582 12.772 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.757 15.075 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.180 13.642 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.300 13.110 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.030 15.501 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.450 17.205 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.227 16.559 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.920 16.028 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.345 15.788 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.875 14.519 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.771 14.116 -0.311 1.00 0.00 H new ATOM 893 N GLU A 63 -6.373 13.615 -1.813 1.00 0.00 N ATOM 894 CA GLU A 63 -5.294 12.879 -1.176 1.00 0.00 C ATOM 895 C GLU A 63 -5.366 13.041 0.344 1.00 0.00 C ATOM 896 O GLU A 63 -5.103 14.121 0.870 1.00 0.00 O ATOM 897 CB GLU A 63 -3.933 13.328 -1.712 1.00 0.00 C ATOM 898 CG GLU A 63 -3.708 12.813 -3.135 1.00 0.00 C ATOM 899 CD GLU A 63 -3.861 13.941 -4.157 1.00 0.00 C ATOM 900 OE1 GLU A 63 -5.015 14.385 -4.343 1.00 0.00 O ATOM 901 OE2 GLU A 63 -2.822 14.333 -4.730 1.00 0.00 O ATOM 0 H GLU A 63 -6.624 14.489 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.411 11.822 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.875 14.416 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.142 12.961 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.712 12.378 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.421 12.019 -3.355 1.00 0.00 H new ATOM 908 N ARG A 64 -5.723 11.951 1.007 1.00 0.00 N ATOM 909 CA ARG A 64 -5.832 11.958 2.456 1.00 0.00 C ATOM 910 C ARG A 64 -4.810 10.999 3.070 1.00 0.00 C ATOM 911 O ARG A 64 -4.599 9.900 2.559 1.00 0.00 O ATOM 912 CB ARG A 64 -7.237 11.551 2.904 1.00 0.00 C ATOM 913 CG ARG A 64 -7.361 11.600 4.428 1.00 0.00 C ATOM 914 CD ARG A 64 -8.252 12.763 4.869 1.00 0.00 C ATOM 915 NE ARG A 64 -9.662 12.483 4.517 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.704 13.195 4.966 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.502 14.235 5.787 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.949 12.868 4.594 1.00 0.00 N ATOM 0 H ARG A 64 -5.941 11.057 0.567 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.634 12.973 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.973 12.217 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.459 10.544 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.776 10.661 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.372 11.706 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.160 12.914 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.925 13.685 4.388 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.852 11.699 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.554 14.485 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.296 14.777 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.103 12.077 3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.742 13.410 4.936 1.00 0.00 H new ATOM 932 N GLY A 65 -4.203 11.450 4.158 1.00 0.00 N ATOM 933 CA GLY A 65 -3.208 10.646 4.847 1.00 0.00 C ATOM 934 C GLY A 65 -3.806 9.977 6.087 1.00 0.00 C ATOM 935 O GLY A 65 -4.661 10.556 6.757 1.00 0.00 O ATOM 0 H GLY A 65 -4.381 12.362 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.819 9.885 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.366 11.274 5.139 1.00 0.00 H new ATOM 939 N LEU A 66 -3.334 8.769 6.354 1.00 0.00 N ATOM 940 CA LEU A 66 -3.812 8.016 7.501 1.00 0.00 C ATOM 941 C LEU A 66 -2.621 7.618 8.376 1.00 0.00 C ATOM 942 O LEU A 66 -1.508 7.453 7.879 1.00 0.00 O ATOM 943 CB LEU A 66 -4.664 6.829 7.046 1.00 0.00 C ATOM 944 CG LEU A 66 -4.003 5.871 6.053 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.544 4.449 6.220 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.155 6.377 4.617 1.00 0.00 C ATOM 0 H LEU A 66 -2.625 8.293 5.796 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.468 8.633 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.959 6.260 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.578 7.215 6.595 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.935 5.837 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.058 3.788 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.340 4.099 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.620 4.446 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.676 5.677 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.214 6.459 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.684 7.355 4.524 1.00 0.00 H new ATOM 958 N GLU A 67 -2.897 7.476 9.665 1.00 0.00 N ATOM 959 CA GLU A 67 -1.862 7.101 10.614 1.00 0.00 C ATOM 960 C GLU A 67 -1.563 5.604 10.509 1.00 0.00 C ATOM 961 O GLU A 67 -2.117 4.915 9.654 1.00 0.00 O ATOM 962 CB GLU A 67 -2.263 7.481 12.040 1.00 0.00 C ATOM 963 CG GLU A 67 -1.913 8.940 12.338 1.00 0.00 C ATOM 964 CD GLU A 67 -1.782 9.176 13.844 1.00 0.00 C ATOM 965 OE1 GLU A 67 -2.679 8.700 14.573 1.00 0.00 O ATOM 966 OE2 GLU A 67 -0.788 9.827 14.233 1.00 0.00 O ATOM 0 H GLU A 67 -3.821 7.614 10.074 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.954 7.651 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.333 7.325 12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.755 6.829 12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.978 9.202 11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.684 9.593 11.930 1.00 0.00 H new ATOM 973 N ASP A 68 -0.687 5.145 11.391 1.00 0.00 N ATOM 974 CA ASP A 68 -0.308 3.742 11.408 1.00 0.00 C ATOM 975 C ASP A 68 -1.482 2.907 11.922 1.00 0.00 C ATOM 976 O ASP A 68 -1.921 1.971 11.255 1.00 0.00 O ATOM 977 CB ASP A 68 0.884 3.506 12.338 1.00 0.00 C ATOM 978 CG ASP A 68 0.934 4.413 13.569 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.442 5.546 13.419 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.462 3.955 14.632 1.00 0.00 O ATOM 0 H ASP A 68 -0.229 5.719 12.099 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.036 3.453 10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.866 2.468 12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.803 3.642 11.768 1.00 0.00 H new ATOM 985 N HIS A 69 -1.957 3.275 13.103 1.00 0.00 N ATOM 986 CA HIS A 69 -3.071 2.571 13.714 1.00 0.00 C ATOM 987 C HIS A 69 -4.156 2.318 12.664 1.00 0.00 C ATOM 988 O HIS A 69 -4.724 1.229 12.604 1.00 0.00 O ATOM 989 CB HIS A 69 -3.593 3.334 14.933 1.00 0.00 C ATOM 990 CG HIS A 69 -4.421 4.550 14.589 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.860 5.744 14.170 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.771 4.743 14.604 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.838 6.610 13.948 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.021 5.987 14.218 1.00 0.00 N ATOM 0 H HIS A 69 -1.590 4.052 13.653 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.735 1.601 14.081 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.194 2.658 15.542 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.746 3.645 15.544 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.511 4.008 14.883 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.719 7.630 13.612 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.946 6.409 14.136 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.409 3.342 11.863 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.415 3.244 10.819 1.00 0.00 C ATOM 1004 C GLU A 70 -5.295 1.904 10.090 1.00 0.00 C ATOM 1005 O GLU A 70 -4.195 1.483 9.736 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.304 4.414 9.839 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.773 5.718 10.486 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.298 5.755 10.603 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -7.802 5.211 11.609 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -7.925 6.325 9.684 1.00 0.00 O ATOM 0 H GLU A 70 -3.935 4.244 11.916 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.399 3.295 11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.271 4.519 9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.903 4.208 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.326 5.818 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.430 6.566 9.894 1.00 0.00 H new ATOM 1017 N SER A 71 -6.442 1.272 9.888 1.00 0.00 N ATOM 1018 CA SER A 71 -6.479 -0.011 9.208 1.00 0.00 C ATOM 1019 C SER A 71 -6.743 0.195 7.715 1.00 0.00 C ATOM 1020 O SER A 71 -7.840 0.593 7.325 1.00 0.00 O ATOM 1021 CB SER A 71 -7.545 -0.926 9.814 1.00 0.00 C ATOM 1022 OG SER A 71 -7.040 -2.231 10.081 1.00 0.00 O ATOM 0 H SER A 71 -7.352 1.625 10.183 1.00 0.00 H new ATOM 0 HA SER A 71 -5.510 -0.493 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.918 -0.485 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.392 -0.998 9.131 1.00 0.00 H new ATOM 0 HG SER A 71 -6.273 -2.411 9.498 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.720 -0.085 6.921 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.829 0.065 5.480 1.00 0.00 C ATOM 1030 C VAL A 72 -7.149 -0.547 5.006 1.00 0.00 C ATOM 1031 O VAL A 72 -7.819 0.011 4.138 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.606 -0.550 4.796 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.461 0.462 4.707 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.157 -1.823 5.516 1.00 0.00 C ATOM 0 H VAL A 72 -4.812 -0.415 7.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.843 1.120 5.206 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.892 -0.823 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.604 -0.000 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.785 1.328 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.177 0.780 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.286 -2.240 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.897 -1.585 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.967 -2.552 5.505 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.483 -1.685 5.596 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.710 -2.378 5.245 1.00 0.00 C ATOM 1046 C VAL A 73 -9.910 -1.523 5.659 1.00 0.00 C ATOM 1047 O VAL A 73 -10.684 -1.082 4.812 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.723 -3.772 5.875 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.032 -4.501 5.567 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.516 -4.593 5.415 1.00 0.00 C ATOM 0 H VAL A 73 -6.925 -2.145 6.315 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.771 -2.523 4.166 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.654 -3.652 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.015 -5.489 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.870 -3.929 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.146 -4.605 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.549 -5.579 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.540 -4.700 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.597 -4.085 5.709 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.026 -1.316 6.963 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.118 -0.522 7.500 1.00 0.00 C ATOM 1062 C GLU A 74 -11.254 0.789 6.723 1.00 0.00 C ATOM 1063 O GLU A 74 -12.365 1.238 6.446 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.919 -0.256 8.993 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.970 -1.559 9.794 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.191 -1.589 10.715 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.315 -1.568 10.169 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.973 -1.632 11.945 1.00 0.00 O ATOM 0 H GLU A 74 -9.382 -1.684 7.663 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.043 -1.087 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.960 0.236 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.691 0.425 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.004 -2.408 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.061 -1.662 10.386 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.107 1.365 6.392 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.084 2.615 5.652 1.00 0.00 C ATOM 1077 C VAL A 75 -10.383 2.336 4.178 1.00 0.00 C ATOM 1078 O VAL A 75 -10.959 3.175 3.488 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.746 3.326 5.866 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.673 4.616 5.048 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.505 3.604 7.351 1.00 0.00 C ATOM 0 H VAL A 75 -9.187 0.989 6.623 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.858 3.290 6.019 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.955 2.663 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.712 5.101 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.778 4.382 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.477 5.286 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.548 4.110 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.303 4.238 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.492 2.662 7.900 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.978 1.153 3.738 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.195 0.753 2.359 1.00 0.00 C ATOM 1093 C GLN A 76 -11.670 0.416 2.130 1.00 0.00 C ATOM 1094 O GLN A 76 -12.206 0.662 1.050 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.299 -0.428 1.983 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.884 -1.207 0.803 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.777 -1.699 -0.132 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.074 -0.928 -0.764 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.662 -3.023 -0.185 1.00 0.00 N ATOM 0 H GLN A 76 -9.501 0.459 4.313 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.928 1.589 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.303 -0.066 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.186 -1.091 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.458 -2.057 1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.576 -0.572 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.283 -3.611 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.953 -3.450 -0.781 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.285 -0.140 3.163 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.687 -0.513 3.088 1.00 0.00 C ATOM 1110 C ALA A 77 -14.547 0.753 3.083 1.00 0.00 C ATOM 1111 O ALA A 77 -15.601 0.788 2.450 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.030 -1.446 4.251 1.00 0.00 C ATOM 0 H ALA A 77 -11.838 -0.341 4.057 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.891 -1.055 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.082 -1.726 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.412 -2.342 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.840 -0.935 5.195 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.065 1.760 3.796 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.777 3.024 3.881 1.00 0.00 C ATOM 1120 C ALA A 78 -14.971 3.591 2.474 1.00 0.00 C ATOM 1121 O ALA A 78 -16.044 4.096 2.146 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.009 3.981 4.795 1.00 0.00 C ATOM 0 H ALA A 78 -13.191 1.727 4.320 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.766 2.879 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.542 4.929 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.924 3.544 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.013 4.152 4.388 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.916 3.489 1.678 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.957 3.985 0.313 1.00 0.00 C ATOM 1130 C TRP A 79 -15.300 3.578 -0.298 1.00 0.00 C ATOM 1131 O TRP A 79 -15.775 2.466 -0.075 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.757 3.480 -0.490 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.405 3.956 0.045 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.166 4.931 0.933 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.107 3.435 -0.312 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.815 5.076 1.173 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.151 4.138 0.392 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.754 2.405 -1.201 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.778 3.886 0.280 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.378 2.166 -1.302 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.402 2.864 -0.600 1.00 0.00 C ATOM 0 H TRP A 79 -13.028 3.070 1.953 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.882 5.072 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.770 2.390 -0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.862 3.806 -1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.934 5.528 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.383 5.748 1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.486 1.843 -1.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.048 4.450 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.052 1.384 -1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.359 2.619 -0.733 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.888 4.526 -1.076 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.166 4.277 -1.720 1.00 0.00 C ATOM 1154 C PRO A 80 -17.002 3.343 -2.921 1.00 0.00 C ATOM 1155 O PRO A 80 -15.888 2.941 -3.251 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.687 5.652 -2.104 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.481 6.577 -2.081 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.354 5.854 -1.362 1.00 0.00 C ATOM 0 HA PRO A 80 -17.873 3.765 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.146 5.634 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.451 5.989 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.181 6.839 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.724 7.509 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.461 5.796 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.072 6.373 -0.446 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.129 3.026 -3.542 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.124 2.148 -4.699 1.00 0.00 C ATOM 1168 C VAL A 81 -18.050 2.990 -5.974 1.00 0.00 C ATOM 1169 O VAL A 81 -18.926 3.815 -6.229 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.345 1.226 -4.662 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.635 2.015 -4.895 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.206 0.090 -5.677 1.00 0.00 C ATOM 0 H VAL A 81 -19.052 3.362 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.245 1.503 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.399 0.782 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.487 1.336 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.745 2.771 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.593 2.501 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.087 -0.550 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.114 0.507 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.318 -0.498 -5.446 1.00 0.00 H new ATOM 1182 N GLY A 82 -16.996 2.754 -6.741 1.00 0.00 N ATOM 1183 CA GLY A 82 -16.797 3.481 -7.983 1.00 0.00 C ATOM 1184 C GLY A 82 -15.368 4.020 -8.080 1.00 0.00 C ATOM 1185 O GLY A 82 -14.612 3.630 -8.968 1.00 0.00 O ATOM 0 H GLY A 82 -16.271 2.070 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.000 2.825 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.506 4.307 -8.043 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.041 4.909 -7.153 1.00 0.00 N ATOM 1190 CA GLY A 83 -13.717 5.505 -7.122 1.00 0.00 C ATOM 1191 C GLY A 83 -12.647 4.452 -6.827 1.00 0.00 C ATOM 1192 O GLY A 83 -12.609 3.891 -5.732 1.00 0.00 O ATOM 0 H GLY A 83 -15.671 5.231 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.507 5.983 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.684 6.285 -6.362 1.00 0.00 H new ATOM 1196 N ASP A 84 -11.805 4.214 -7.821 1.00 0.00 N ATOM 1197 CA ASP A 84 -10.738 3.238 -7.681 1.00 0.00 C ATOM 1198 C ASP A 84 -9.665 3.792 -6.742 1.00 0.00 C ATOM 1199 O ASP A 84 -8.510 3.946 -7.136 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.080 2.944 -9.031 1.00 0.00 C ATOM 1201 CG ASP A 84 -10.818 1.927 -9.903 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -10.951 0.773 -9.441 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.233 2.326 -11.013 1.00 0.00 O ATOM 0 H ASP A 84 -11.840 4.680 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.171 2.320 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.991 3.878 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.068 2.581 -8.853 1.00 0.00 H new ATOM 1208 N SER A 85 -10.085 4.076 -5.518 1.00 0.00 N ATOM 1209 CA SER A 85 -9.174 4.610 -4.520 1.00 0.00 C ATOM 1210 C SER A 85 -8.003 3.647 -4.311 1.00 0.00 C ATOM 1211 O SER A 85 -8.137 2.445 -4.533 1.00 0.00 O ATOM 1212 CB SER A 85 -9.896 4.863 -3.195 1.00 0.00 C ATOM 1213 OG SER A 85 -10.876 5.891 -3.309 1.00 0.00 O ATOM 0 H SER A 85 -11.044 3.946 -5.195 1.00 0.00 H new ATOM 0 HA SER A 85 -8.791 5.564 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.374 3.942 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.168 5.139 -2.432 1.00 0.00 H new ATOM 0 HG SER A 85 -10.448 6.765 -3.192 1.00 0.00 H new ATOM 1219 N ARG A 86 -6.883 4.212 -3.887 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.689 3.419 -3.646 1.00 0.00 C ATOM 1221 C ARG A 86 -4.849 4.048 -2.533 1.00 0.00 C ATOM 1222 O ARG A 86 -5.192 5.111 -2.018 1.00 0.00 O ATOM 1223 CB ARG A 86 -4.840 3.302 -4.913 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.545 4.682 -5.504 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.067 5.043 -5.344 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.753 6.254 -6.134 1.00 0.00 N ATOM 1227 CZ ARG A 86 -2.675 6.280 -7.472 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -2.887 5.160 -8.176 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.384 7.425 -8.104 1.00 0.00 N ATOM 0 H ARG A 86 -6.776 5.210 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.009 2.422 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.904 2.794 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.362 2.691 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.814 4.694 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.162 5.433 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.838 5.215 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.443 4.212 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.585 7.124 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.108 4.289 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.828 5.179 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.222 8.277 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.325 7.445 -9.122 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.765 3.365 -2.195 1.00 0.00 N ATOM 1244 CA PHE A 87 -2.874 3.844 -1.152 1.00 0.00 C ATOM 1245 C PHE A 87 -1.505 4.213 -1.728 1.00 0.00 C ATOM 1246 O PHE A 87 -0.825 3.370 -2.311 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.701 2.700 -0.151 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.825 2.604 0.883 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.953 3.561 1.840 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.696 1.560 0.845 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.995 3.472 2.800 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.739 1.470 1.804 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.867 2.428 2.761 1.00 0.00 C ATOM 0 H PHE A 87 -3.484 2.484 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.294 4.734 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.642 1.759 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.752 2.827 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.261 4.390 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.594 0.799 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.096 4.232 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.431 0.641 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.661 2.360 3.490 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.142 5.474 -1.545 1.00 0.00 N ATOM 1264 CA VAL A 88 0.134 5.964 -2.039 1.00 0.00 C ATOM 1265 C VAL A 88 1.134 6.026 -0.883 1.00 0.00 C ATOM 1266 O VAL A 88 0.816 6.536 0.191 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.059 7.313 -2.736 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.286 7.997 -2.987 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.843 7.149 -4.039 1.00 0.00 C ATOM 0 H VAL A 88 -1.709 6.171 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 88 0.542 5.282 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.642 7.953 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.121 8.953 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.792 8.164 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.905 7.362 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.966 8.122 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.299 6.484 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.823 6.724 -3.823 1.00 0.00 H new ATOM 1279 N PHE A 89 2.322 5.500 -1.142 1.00 0.00 N ATOM 1280 CA PHE A 89 3.371 5.490 -0.136 1.00 0.00 C ATOM 1281 C PHE A 89 4.248 6.739 -0.245 1.00 0.00 C ATOM 1282 O PHE A 89 4.909 6.951 -1.260 1.00 0.00 O ATOM 1283 CB PHE A 89 4.231 4.252 -0.400 1.00 0.00 C ATOM 1284 CG PHE A 89 5.217 3.928 0.724 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.845 4.091 2.022 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.464 3.476 0.426 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.760 3.790 3.066 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.379 3.175 1.469 1.00 0.00 C ATOM 1289 CZ PHE A 89 7.007 3.339 2.767 1.00 0.00 C ATOM 0 H PHE A 89 2.582 5.078 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 89 2.931 5.475 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.577 3.394 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.787 4.399 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.854 4.449 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.759 3.346 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.465 3.919 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.370 2.816 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.703 3.111 3.561 1.00 0.00 H new ATOM 1299 N ARG A 90 4.224 7.533 0.816 1.00 0.00 N ATOM 1300 CA ARG A 90 5.009 8.755 0.852 1.00 0.00 C ATOM 1301 C ARG A 90 5.482 9.040 2.279 1.00 0.00 C ATOM 1302 O ARG A 90 4.837 8.631 3.244 1.00 0.00 O ATOM 1303 CB ARG A 90 4.195 9.947 0.344 1.00 0.00 C ATOM 1304 CG ARG A 90 2.808 9.979 0.989 1.00 0.00 C ATOM 1305 CD ARG A 90 1.785 10.628 0.055 1.00 0.00 C ATOM 1306 NE ARG A 90 2.259 11.966 -0.363 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.486 12.886 -0.957 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.197 12.617 -1.207 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.002 14.073 -1.302 1.00 0.00 N ATOM 0 H ARG A 90 3.674 7.354 1.656 1.00 0.00 H new ATOM 0 HA ARG A 90 5.872 8.615 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.724 10.874 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.095 9.888 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.492 8.964 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.852 10.532 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.629 9.998 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.823 10.715 0.560 1.00 0.00 H new ATOM 0 HE ARG A 90 3.236 12.203 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.195 11.713 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.392 13.317 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.983 14.277 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.414 14.773 -1.754 1.00 0.00 H new ATOM 1323 N LYS A 91 6.603 9.739 2.369 1.00 0.00 N ATOM 1324 CA LYS A 91 7.170 10.083 3.662 1.00 0.00 C ATOM 1325 C LYS A 91 6.863 11.549 3.974 1.00 0.00 C ATOM 1326 O LYS A 91 6.768 11.933 5.139 1.00 0.00 O ATOM 1327 CB LYS A 91 8.662 9.746 3.700 1.00 0.00 C ATOM 1328 CG LYS A 91 9.508 10.951 3.285 1.00 0.00 C ATOM 1329 CD LYS A 91 10.949 10.533 2.989 1.00 0.00 C ATOM 1330 CE LYS A 91 11.092 10.039 1.548 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.478 9.591 1.289 1.00 0.00 N ATOM 0 H LYS A 91 7.135 10.077 1.567 1.00 0.00 H new ATOM 0 HA LYS A 91 6.712 9.485 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.941 9.430 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.866 8.908 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.073 11.419 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.498 11.698 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.618 11.377 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.252 9.745 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.398 9.217 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.826 10.838 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.517 9.090 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.109 10.417 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.784 8.951 2.049 1.00 0.00 H new