USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 21 CYS SG : rot 149:sc= 0.954 USER MOD Set 1.2: A 24 CYS SG : rot -53:sc= 0.605 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.0712 K(o=3.3,f=2.5) USER MOD Set 1.4: A 55 SER OG : rot 180:sc= -0.163 USER MOD Set 1.5: A 56 CYS SG : rot 139:sc= 0.392 USER MOD Set 1.6: A 59 LYS NZ :NH3+ -163:sc= 1.41 (180deg=0) USER MOD Set 2.1: A 41 SER OG : rot 150:sc= 0.294 USER MOD Set 2.2: A 43 MET CE :methyl -122:sc=-0.00963 (180deg=-0.234) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.01 (180deg=0.521) USER MOD Single : A 9 TYR OH : rot -142:sc= 0.952 USER MOD Single : A 13 TYR OH : rot -30:sc= 1.79 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 3.25 (180deg=2.82) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -169:sc=-0.00435 (180deg=-0.241) USER MOD Single : A 38 MET CE :methyl 152:sc= -1.15 (180deg=-2.74!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0.954) USER MOD Single : A 50 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.42) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.14) USER MOD Single : A 75 SER OG : rot 180:sc= 0.012 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.39) USER MOD Single : A 83 GLN : amide:sc= 0.752 K(o=0.75,f=-0.98) USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= 1.22 (180deg=0.997) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.22) USER MOD Single : A 88 THR OG1 : rot 68:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -3.784 -5.578 11.635 1.00 0.00 N ATOM 80 CA LYS A 7 -4.062 -5.154 10.266 1.00 0.00 C ATOM 81 C LYS A 7 -3.512 -6.203 9.307 1.00 0.00 C ATOM 82 O LYS A 7 -2.730 -7.075 9.701 1.00 0.00 O ATOM 83 CB LYS A 7 -3.390 -3.782 10.024 1.00 0.00 C ATOM 84 CG LYS A 7 -3.735 -2.706 11.067 1.00 0.00 C ATOM 85 CD LYS A 7 -5.212 -2.308 11.042 1.00 0.00 C ATOM 86 CE LYS A 7 -5.499 -1.363 12.211 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.945 -1.029 12.267 1.00 0.00 N ATOM 0 HA LYS A 7 -5.135 -5.054 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.309 -3.920 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.680 -3.419 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.479 -3.074 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.122 -1.823 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.454 -1.821 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.841 -3.195 11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.191 -1.829 13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.913 -0.451 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.069 -0.098 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.333 -1.004 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.447 -1.750 12.823 1.00 0.00 H new ATOM 101 N LEU A 8 -3.876 -6.076 8.038 1.00 0.00 N ATOM 102 CA LEU A 8 -3.303 -6.849 6.934 1.00 0.00 C ATOM 103 C LEU A 8 -2.498 -5.974 5.982 1.00 0.00 C ATOM 104 O LEU A 8 -1.653 -6.491 5.256 1.00 0.00 O ATOM 105 CB LEU A 8 -4.448 -7.491 6.138 1.00 0.00 C ATOM 106 CG LEU A 8 -5.391 -8.399 6.936 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.546 -8.780 6.019 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.677 -9.651 7.436 1.00 0.00 C ATOM 0 H LEU A 8 -4.595 -5.418 7.736 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.636 -7.598 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.039 -6.696 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.017 -8.073 5.324 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.751 -7.868 7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.239 -9.428 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.068 -7.879 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.159 -9.306 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.377 -10.270 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.294 -10.216 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.848 -9.363 8.083 1.00 0.00 H new ATOM 120 N TYR A 9 -2.768 -4.670 5.971 1.00 0.00 N ATOM 121 CA TYR A 9 -2.418 -3.782 4.875 1.00 0.00 C ATOM 122 C TYR A 9 -1.893 -2.448 5.411 1.00 0.00 C ATOM 123 O TYR A 9 -2.286 -1.976 6.480 1.00 0.00 O ATOM 124 CB TYR A 9 -3.648 -3.580 3.969 1.00 0.00 C ATOM 125 CG TYR A 9 -4.306 -4.832 3.403 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.529 -5.861 2.842 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.709 -4.959 3.427 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.139 -7.025 2.337 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.329 -6.116 2.914 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.544 -7.152 2.364 1.00 0.00 C ATOM 131 OH TYR A 9 -6.132 -8.258 1.837 1.00 0.00 O ATOM 0 H TYR A 9 -3.245 -4.197 6.739 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.620 -4.231 4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.399 -3.030 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.352 -2.946 3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.455 -5.757 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.313 -4.165 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.532 -7.820 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.405 -6.210 2.942 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.963 -8.003 1.385 1.00 0.00 H new ATOM 141 N ARG A 10 -1.009 -1.833 4.634 1.00 0.00 N ATOM 142 CA ARG A 10 -0.359 -0.546 4.897 1.00 0.00 C ATOM 143 C ARG A 10 -0.369 0.270 3.604 1.00 0.00 C ATOM 144 O ARG A 10 -0.206 -0.305 2.532 1.00 0.00 O ATOM 145 CB ARG A 10 1.062 -0.827 5.433 1.00 0.00 C ATOM 146 CG ARG A 10 2.071 0.339 5.471 1.00 0.00 C ATOM 147 CD ARG A 10 1.681 1.403 6.507 1.00 0.00 C ATOM 148 NE ARG A 10 2.602 2.556 6.557 1.00 0.00 N ATOM 149 CZ ARG A 10 2.412 3.645 7.285 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.481 3.763 8.183 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.149 4.701 7.144 1.00 0.00 N ATOM 0 H ARG A 10 -0.706 -2.241 3.749 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.882 0.040 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.965 -1.216 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.495 -1.622 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.063 -0.048 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.132 0.798 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.677 1.762 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.642 0.939 7.493 1.00 0.00 H new ATOM 0 HE ARG A 10 3.447 2.510 5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.843 2.988 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.388 4.631 8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.902 4.709 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.976 5.524 7.721 1.00 0.00 H new ATOM 165 N VAL A 11 -0.544 1.585 3.689 1.00 0.00 N ATOM 166 CA VAL A 11 -0.333 2.548 2.595 1.00 0.00 C ATOM 167 C VAL A 11 0.337 3.814 3.130 1.00 0.00 C ATOM 168 O VAL A 11 0.075 4.223 4.258 1.00 0.00 O ATOM 169 CB VAL A 11 -1.661 2.855 1.877 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.584 3.803 2.651 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.439 3.494 0.499 1.00 0.00 C ATOM 0 H VAL A 11 -0.849 2.034 4.553 1.00 0.00 H new ATOM 0 HA VAL A 11 0.336 2.108 1.856 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.135 1.877 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.497 3.969 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.835 3.360 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.077 4.755 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.403 3.693 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.893 4.430 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.864 2.814 -0.129 1.00 0.00 H new ATOM 181 N GLU A 12 1.209 4.441 2.343 1.00 0.00 N ATOM 182 CA GLU A 12 1.810 5.732 2.692 1.00 0.00 C ATOM 183 C GLU A 12 2.340 6.519 1.495 1.00 0.00 C ATOM 184 O GLU A 12 2.666 5.965 0.441 1.00 0.00 O ATOM 185 CB GLU A 12 2.949 5.545 3.714 1.00 0.00 C ATOM 186 CG GLU A 12 4.194 4.809 3.182 1.00 0.00 C ATOM 187 CD GLU A 12 5.383 4.861 4.156 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.188 5.166 5.355 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.527 4.627 3.706 1.00 0.00 O ATOM 0 H GLU A 12 1.520 4.071 1.445 1.00 0.00 H new ATOM 0 HA GLU A 12 0.998 6.317 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.254 6.526 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.560 4.995 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.938 3.768 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.491 5.250 2.230 1.00 0.00 H new ATOM 196 N TYR A 13 2.543 7.815 1.732 1.00 0.00 N ATOM 197 CA TYR A 13 3.575 8.582 1.045 1.00 0.00 C ATOM 198 C TYR A 13 4.953 8.154 1.568 1.00 0.00 C ATOM 199 O TYR A 13 5.206 8.151 2.777 1.00 0.00 O ATOM 200 CB TYR A 13 3.318 10.081 1.243 1.00 0.00 C ATOM 201 CG TYR A 13 2.007 10.628 0.691 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.250 9.926 -0.274 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.568 11.893 1.130 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.103 10.512 -0.839 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.404 12.470 0.587 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.313 11.792 -0.420 1.00 0.00 C ATOM 207 OH TYR A 13 -1.402 12.376 -0.978 1.00 0.00 O ATOM 0 H TYR A 13 1.999 8.358 2.402 1.00 0.00 H new ATOM 0 HA TYR A 13 3.550 8.386 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.353 10.294 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.138 10.631 0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.553 8.935 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.127 12.423 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.459 9.981 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.061 13.431 0.941 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.499 12.070 -1.904 1.00 0.00 H new ATOM 217 N ALA A 14 5.825 7.745 0.650 1.00 0.00 N ATOM 218 CA ALA A 14 7.097 7.095 0.929 1.00 0.00 C ATOM 219 C ALA A 14 8.121 8.037 1.589 1.00 0.00 C ATOM 220 O ALA A 14 8.433 9.105 1.053 1.00 0.00 O ATOM 221 CB ALA A 14 7.601 6.529 -0.402 1.00 0.00 C ATOM 0 H ALA A 14 5.655 7.864 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 14 6.958 6.298 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.557 6.029 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.876 5.814 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.729 7.341 -1.118 1.00 0.00 H new ATOM 227 N LYS A 15 8.671 7.619 2.738 1.00 0.00 N ATOM 228 CA LYS A 15 9.554 8.439 3.594 1.00 0.00 C ATOM 229 C LYS A 15 11.006 8.517 3.096 1.00 0.00 C ATOM 230 O LYS A 15 11.650 9.558 3.216 1.00 0.00 O ATOM 231 CB LYS A 15 9.521 7.896 5.038 1.00 0.00 C ATOM 232 CG LYS A 15 8.117 7.742 5.648 1.00 0.00 C ATOM 233 CD LYS A 15 7.301 9.042 5.613 1.00 0.00 C ATOM 234 CE LYS A 15 5.954 8.896 6.326 1.00 0.00 C ATOM 235 NZ LYS A 15 5.051 7.945 5.633 1.00 0.00 N ATOM 0 H LYS A 15 8.514 6.682 3.110 1.00 0.00 H new ATOM 0 HA LYS A 15 9.166 9.457 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.016 6.925 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.105 8.562 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.576 6.965 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.211 7.406 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.874 9.842 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.132 9.336 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.121 8.556 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.471 9.871 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.079 8.076 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.082 8.121 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.359 6.971 5.826 1.00 0.00 H new ATOM 249 N SER A 16 11.513 7.415 2.543 1.00 0.00 N ATOM 250 CA SER A 16 12.885 7.252 2.039 1.00 0.00 C ATOM 251 C SER A 16 12.942 6.144 0.982 1.00 0.00 C ATOM 252 O SER A 16 12.135 5.208 1.013 1.00 0.00 O ATOM 253 CB SER A 16 13.852 6.921 3.183 1.00 0.00 C ATOM 254 OG SER A 16 15.180 7.137 2.740 1.00 0.00 O ATOM 0 H SER A 16 10.955 6.569 2.427 1.00 0.00 H new ATOM 0 HA SER A 16 13.187 8.196 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.638 7.546 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.723 5.885 3.497 1.00 0.00 H new ATOM 0 HG SER A 16 15.805 6.929 3.466 1.00 0.00 H new ATOM 260 N GLY A 17 13.906 6.224 0.060 1.00 0.00 N ATOM 261 CA GLY A 17 14.136 5.259 -1.026 1.00 0.00 C ATOM 262 C GLY A 17 14.808 3.961 -0.562 1.00 0.00 C ATOM 263 O GLY A 17 15.842 3.575 -1.109 1.00 0.00 O ATOM 0 H GLY A 17 14.576 6.993 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.182 5.017 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.757 5.726 -1.791 1.00 0.00 H new ATOM 267 N ARG A 18 14.290 3.346 0.509 1.00 0.00 N ATOM 268 CA ARG A 18 14.921 2.229 1.246 1.00 0.00 C ATOM 269 C ARG A 18 14.013 1.010 1.465 1.00 0.00 C ATOM 270 O ARG A 18 14.506 -0.037 1.885 1.00 0.00 O ATOM 271 CB ARG A 18 15.481 2.757 2.584 1.00 0.00 C ATOM 272 CG ARG A 18 16.547 3.860 2.440 1.00 0.00 C ATOM 273 CD ARG A 18 17.813 3.369 1.728 1.00 0.00 C ATOM 274 NE ARG A 18 18.790 4.459 1.542 1.00 0.00 N ATOM 275 CZ ARG A 18 18.983 5.184 0.453 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.276 5.035 -0.633 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.912 6.098 0.436 1.00 0.00 N ATOM 0 H ARG A 18 13.390 3.617 0.904 1.00 0.00 H new ATOM 0 HA ARG A 18 15.728 1.855 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.655 3.143 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.912 1.923 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.125 4.698 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.813 4.234 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.269 2.566 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.546 2.950 0.758 1.00 0.00 H new ATOM 0 HE ARG A 18 19.383 4.678 2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.536 4.334 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.464 5.619 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.490 6.254 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.062 6.658 -0.404 1.00 0.00 H new ATOM 291 N ALA A 19 12.719 1.111 1.149 1.00 0.00 N ATOM 292 CA ALA A 19 11.839 -0.052 1.021 1.00 0.00 C ATOM 293 C ALA A 19 12.039 -0.725 -0.349 1.00 0.00 C ATOM 294 O ALA A 19 12.339 -0.056 -1.342 1.00 0.00 O ATOM 295 CB ALA A 19 10.382 0.366 1.251 1.00 0.00 C ATOM 0 H ALA A 19 12.253 2.001 0.975 1.00 0.00 H new ATOM 0 HA ALA A 19 12.095 -0.788 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.734 -0.505 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.278 0.786 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.097 1.114 0.511 1.00 0.00 H new ATOM 301 N SER A 20 11.836 -2.041 -0.416 1.00 0.00 N ATOM 302 CA SER A 20 12.041 -2.848 -1.626 1.00 0.00 C ATOM 303 C SER A 20 10.729 -3.470 -2.079 1.00 0.00 C ATOM 304 O SER A 20 10.019 -4.064 -1.266 1.00 0.00 O ATOM 305 CB SER A 20 13.076 -3.950 -1.395 1.00 0.00 C ATOM 306 OG SER A 20 14.325 -3.400 -1.010 1.00 0.00 O ATOM 0 H SER A 20 11.518 -2.589 0.383 1.00 0.00 H new ATOM 0 HA SER A 20 12.415 -2.182 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.721 -4.632 -0.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.198 -4.536 -2.306 1.00 0.00 H new ATOM 0 HG SER A 20 14.971 -4.123 -0.866 1.00 0.00 H new ATOM 312 N CYS A 21 10.425 -3.357 -3.371 1.00 0.00 N ATOM 313 CA CYS A 21 9.224 -3.943 -3.959 1.00 0.00 C ATOM 314 C CYS A 21 9.359 -5.469 -4.052 1.00 0.00 C ATOM 315 O CYS A 21 10.182 -5.995 -4.807 1.00 0.00 O ATOM 316 CB CYS A 21 8.980 -3.283 -5.314 1.00 0.00 C ATOM 317 SG CYS A 21 7.397 -3.844 -6.043 1.00 0.00 S ATOM 0 H CYS A 21 11.007 -2.854 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 21 8.355 -3.757 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.967 -2.199 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.801 -3.521 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 21 6.886 -2.887 -6.759 1.00 0.00 H new ATOM 322 N LYS A 22 8.539 -6.197 -3.288 1.00 0.00 N ATOM 323 CA LYS A 22 8.559 -7.672 -3.246 1.00 0.00 C ATOM 324 C LYS A 22 7.997 -8.321 -4.522 1.00 0.00 C ATOM 325 O LYS A 22 8.116 -9.537 -4.690 1.00 0.00 O ATOM 326 CB LYS A 22 7.787 -8.171 -2.009 1.00 0.00 C ATOM 327 CG LYS A 22 8.206 -7.552 -0.669 1.00 0.00 C ATOM 328 CD LYS A 22 9.615 -7.923 -0.192 1.00 0.00 C ATOM 329 CE LYS A 22 9.743 -9.424 0.101 1.00 0.00 C ATOM 330 NZ LYS A 22 11.090 -9.767 0.631 1.00 0.00 N ATOM 0 H LYS A 22 7.837 -5.782 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 22 9.604 -7.973 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.726 -7.975 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.905 -9.252 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.142 -6.467 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.489 -7.856 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.342 -7.638 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.855 -7.356 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.982 -9.720 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.556 -9.990 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.140 -10.789 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.815 -9.507 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.258 -9.245 1.515 1.00 0.00 H new ATOM 344 N LYS A 23 7.376 -7.526 -5.405 1.00 0.00 N ATOM 345 CA LYS A 23 6.682 -7.983 -6.624 1.00 0.00 C ATOM 346 C LYS A 23 7.515 -7.797 -7.900 1.00 0.00 C ATOM 347 O LYS A 23 7.662 -8.766 -8.647 1.00 0.00 O ATOM 348 CB LYS A 23 5.303 -7.304 -6.695 1.00 0.00 C ATOM 349 CG LYS A 23 4.451 -7.653 -7.928 1.00 0.00 C ATOM 350 CD LYS A 23 4.219 -9.161 -8.123 1.00 0.00 C ATOM 351 CE LYS A 23 3.221 -9.393 -9.262 1.00 0.00 C ATOM 352 NZ LYS A 23 3.012 -10.841 -9.529 1.00 0.00 N ATOM 0 H LYS A 23 7.340 -6.513 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 23 6.538 -9.062 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.741 -7.570 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.448 -6.224 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.485 -7.156 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.937 -7.253 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.163 -9.657 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.840 -9.602 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.268 -8.929 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.583 -8.905 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.330 -10.956 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.917 -11.279 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.642 -11.302 -8.673 1.00 0.00 H new ATOM 366 N CYS A 24 8.073 -6.603 -8.137 1.00 0.00 N ATOM 367 CA CYS A 24 8.901 -6.310 -9.322 1.00 0.00 C ATOM 368 C CYS A 24 10.421 -6.169 -9.039 1.00 0.00 C ATOM 369 O CYS A 24 11.215 -5.970 -9.964 1.00 0.00 O ATOM 370 CB CYS A 24 8.265 -5.185 -10.161 1.00 0.00 C ATOM 371 SG CYS A 24 8.567 -3.499 -9.511 1.00 0.00 S ATOM 0 H CYS A 24 7.964 -5.806 -7.510 1.00 0.00 H new ATOM 0 HA CYS A 24 8.894 -7.199 -9.952 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.651 -5.244 -11.179 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.190 -5.353 -10.217 1.00 0.00 H new ATOM 0 HG CYS A 24 8.219 -3.448 -8.260 1.00 0.00 H new ATOM 376 N SER A 25 10.837 -6.365 -7.780 1.00 0.00 N ATOM 377 CA SER A 25 12.238 -6.439 -7.316 1.00 0.00 C ATOM 378 C SER A 25 13.080 -5.161 -7.517 1.00 0.00 C ATOM 379 O SER A 25 14.310 -5.202 -7.459 1.00 0.00 O ATOM 380 CB SER A 25 12.944 -7.698 -7.849 1.00 0.00 C ATOM 381 OG SER A 25 12.207 -8.872 -7.530 1.00 0.00 O ATOM 0 H SER A 25 10.174 -6.483 -7.014 1.00 0.00 H new ATOM 0 HA SER A 25 12.161 -6.521 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.063 -7.622 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.945 -7.766 -7.422 1.00 0.00 H new ATOM 0 HG SER A 25 12.676 -9.658 -7.881 1.00 0.00 H new ATOM 387 N GLU A 26 12.430 -4.014 -7.720 1.00 0.00 N ATOM 388 CA GLU A 26 13.032 -2.673 -7.652 1.00 0.00 C ATOM 389 C GLU A 26 12.999 -2.138 -6.205 1.00 0.00 C ATOM 390 O GLU A 26 12.443 -2.779 -5.308 1.00 0.00 O ATOM 391 CB GLU A 26 12.282 -1.731 -8.611 1.00 0.00 C ATOM 392 CG GLU A 26 12.456 -2.120 -10.088 1.00 0.00 C ATOM 393 CD GLU A 26 11.783 -1.136 -11.073 1.00 0.00 C ATOM 394 OE1 GLU A 26 11.172 -0.123 -10.652 1.00 0.00 O ATOM 395 OE2 GLU A 26 11.883 -1.372 -12.304 1.00 0.00 O ATOM 0 H GLU A 26 11.435 -3.988 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 26 14.077 -2.727 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.221 -1.736 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.639 -0.712 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.520 -2.178 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.042 -3.116 -10.243 1.00 0.00 H new ATOM 402 N SER A 27 13.551 -0.947 -5.956 1.00 0.00 N ATOM 403 CA SER A 27 13.360 -0.237 -4.683 1.00 0.00 C ATOM 404 C SER A 27 12.390 0.931 -4.845 1.00 0.00 C ATOM 405 O SER A 27 12.340 1.581 -5.889 1.00 0.00 O ATOM 406 CB SER A 27 14.663 0.229 -4.042 1.00 0.00 C ATOM 407 OG SER A 27 15.738 -0.683 -4.209 1.00 0.00 O ATOM 0 H SER A 27 14.139 -0.449 -6.624 1.00 0.00 H new ATOM 0 HA SER A 27 12.927 -0.966 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.944 1.191 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.497 0.390 -2.977 1.00 0.00 H new ATOM 0 HG SER A 27 16.541 -0.324 -3.777 1.00 0.00 H new ATOM 413 N ILE A 28 11.587 1.187 -3.817 1.00 0.00 N ATOM 414 CA ILE A 28 10.424 2.072 -3.906 1.00 0.00 C ATOM 415 C ILE A 28 10.847 3.514 -3.558 1.00 0.00 C ATOM 416 O ILE A 28 11.287 3.742 -2.426 1.00 0.00 O ATOM 417 CB ILE A 28 9.289 1.551 -3.001 1.00 0.00 C ATOM 418 CG1 ILE A 28 8.941 0.063 -3.263 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.049 2.431 -3.238 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.100 -0.558 -2.143 1.00 0.00 C ATOM 0 H ILE A 28 11.724 0.784 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 28 10.036 2.081 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 28 9.624 1.608 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.399 -0.018 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.864 -0.506 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.230 2.083 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.284 3.466 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.753 2.369 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.888 -1.600 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.650 -0.506 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.163 -0.010 -2.045 1.00 0.00 H new ATOM 432 N PRO A 29 10.735 4.489 -4.483 1.00 0.00 N ATOM 433 CA PRO A 29 11.255 5.847 -4.291 1.00 0.00 C ATOM 434 C PRO A 29 10.452 6.656 -3.261 1.00 0.00 C ATOM 435 O PRO A 29 9.252 6.435 -3.078 1.00 0.00 O ATOM 436 CB PRO A 29 11.206 6.495 -5.681 1.00 0.00 C ATOM 437 CG PRO A 29 10.021 5.796 -6.344 1.00 0.00 C ATOM 438 CD PRO A 29 10.141 4.370 -5.809 1.00 0.00 C ATOM 0 HA PRO A 29 12.266 5.821 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.056 7.573 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.131 6.334 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.072 6.255 -6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.086 5.829 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.164 3.889 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.764 3.759 -6.462 1.00 0.00 H new ATOM 446 N LYS A 30 11.108 7.632 -2.616 1.00 0.00 N ATOM 447 CA LYS A 30 10.464 8.583 -1.689 1.00 0.00 C ATOM 448 C LYS A 30 9.582 9.610 -2.412 1.00 0.00 C ATOM 449 O LYS A 30 9.715 9.817 -3.618 1.00 0.00 O ATOM 450 CB LYS A 30 11.498 9.234 -0.756 1.00 0.00 C ATOM 451 CG LYS A 30 12.437 10.244 -1.434 1.00 0.00 C ATOM 452 CD LYS A 30 13.494 10.807 -0.470 1.00 0.00 C ATOM 453 CE LYS A 30 12.872 11.625 0.673 1.00 0.00 C ATOM 454 NZ LYS A 30 13.912 12.184 1.577 1.00 0.00 N ATOM 0 H LYS A 30 12.110 7.787 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 30 9.782 8.011 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.969 9.738 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.101 8.448 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.937 9.762 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.848 11.066 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.073 9.984 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.190 11.436 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.276 12.437 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.193 10.993 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.456 12.730 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.464 11.407 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.545 12.807 1.035 1.00 0.00 H new ATOM 468 N ASP A 31 8.681 10.252 -1.663 1.00 0.00 N ATOM 469 CA ASP A 31 7.673 11.198 -2.179 1.00 0.00 C ATOM 470 C ASP A 31 6.795 10.600 -3.309 1.00 0.00 C ATOM 471 O ASP A 31 6.410 11.271 -4.269 1.00 0.00 O ATOM 472 CB ASP A 31 8.332 12.552 -2.506 1.00 0.00 C ATOM 473 CG ASP A 31 7.314 13.686 -2.735 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.354 13.817 -1.936 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.500 14.489 -3.682 1.00 0.00 O ATOM 0 H ASP A 31 8.627 10.128 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 31 6.947 11.395 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.998 12.831 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.949 12.442 -3.398 1.00 0.00 H new ATOM 480 N SER A 32 6.496 9.303 -3.185 1.00 0.00 N ATOM 481 CA SER A 32 5.639 8.499 -4.068 1.00 0.00 C ATOM 482 C SER A 32 4.696 7.626 -3.227 1.00 0.00 C ATOM 483 O SER A 32 4.866 7.529 -2.010 1.00 0.00 O ATOM 484 CB SER A 32 6.516 7.647 -4.995 1.00 0.00 C ATOM 485 OG SER A 32 5.770 7.222 -6.123 1.00 0.00 O ATOM 0 H SER A 32 6.870 8.749 -2.415 1.00 0.00 H new ATOM 0 HA SER A 32 5.025 9.154 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.382 8.224 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.895 6.780 -4.453 1.00 0.00 H new ATOM 0 HG SER A 32 6.341 6.681 -6.708 1.00 0.00 H new ATOM 491 N LEU A 33 3.689 6.997 -3.837 1.00 0.00 N ATOM 492 CA LEU A 33 2.656 6.230 -3.133 1.00 0.00 C ATOM 493 C LEU A 33 3.028 4.740 -3.101 1.00 0.00 C ATOM 494 O LEU A 33 3.296 4.137 -4.146 1.00 0.00 O ATOM 495 CB LEU A 33 1.291 6.509 -3.793 1.00 0.00 C ATOM 496 CG LEU A 33 0.090 5.894 -3.050 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.188 6.553 -1.700 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.176 6.038 -3.891 1.00 0.00 C ATOM 0 H LEU A 33 3.565 7.006 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 33 2.584 6.542 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.147 7.587 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.308 6.124 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 33 0.351 4.849 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.046 6.072 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.685 6.446 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.402 7.611 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.019 5.600 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.372 7.094 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.042 5.523 -4.842 1.00 0.00 H new ATOM 510 N ARG A 34 3.034 4.134 -1.911 1.00 0.00 N ATOM 511 CA ARG A 34 3.425 2.734 -1.691 1.00 0.00 C ATOM 512 C ARG A 34 2.550 2.046 -0.657 1.00 0.00 C ATOM 513 O ARG A 34 1.935 2.701 0.180 1.00 0.00 O ATOM 514 CB ARG A 34 4.926 2.639 -1.374 1.00 0.00 C ATOM 515 CG ARG A 34 5.400 3.171 -0.011 1.00 0.00 C ATOM 516 CD ARG A 34 6.925 2.979 0.079 1.00 0.00 C ATOM 517 NE ARG A 34 7.496 3.504 1.329 1.00 0.00 N ATOM 518 CZ ARG A 34 8.753 3.819 1.575 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.698 3.761 0.678 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.064 4.242 2.761 1.00 0.00 N ATOM 0 H ARG A 34 2.761 4.612 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 34 3.256 2.184 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.219 1.592 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.469 3.176 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.143 4.225 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.902 2.638 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.158 1.917 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.399 3.476 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 34 6.841 3.641 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.482 3.459 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.653 4.017 0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.343 4.325 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.029 4.492 2.976 1.00 0.00 H new ATOM 534 N MET A 35 2.497 0.724 -0.739 1.00 0.00 N ATOM 535 CA MET A 35 1.695 -0.153 0.110 1.00 0.00 C ATOM 536 C MET A 35 2.556 -1.248 0.734 1.00 0.00 C ATOM 537 O MET A 35 3.665 -1.511 0.279 1.00 0.00 O ATOM 538 CB MET A 35 0.511 -0.738 -0.679 1.00 0.00 C ATOM 539 CG MET A 35 -0.539 0.333 -0.988 1.00 0.00 C ATOM 540 SD MET A 35 -2.033 -0.222 -1.854 1.00 0.00 S ATOM 541 CE MET A 35 -2.925 -1.002 -0.480 1.00 0.00 C ATOM 0 H MET A 35 3.037 0.207 -1.432 1.00 0.00 H new ATOM 0 HA MET A 35 1.285 0.440 0.928 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.873 -1.174 -1.610 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.053 -1.544 -0.106 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.842 0.795 -0.048 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.066 1.111 -1.588 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.772 -1.566 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.255 -1.676 0.053 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.285 -0.233 0.204 1.00 0.00 H new ATOM 551 N ALA A 36 2.064 -1.868 1.799 1.00 0.00 N ATOM 552 CA ALA A 36 2.721 -2.992 2.459 1.00 0.00 C ATOM 553 C ALA A 36 1.701 -4.019 2.970 1.00 0.00 C ATOM 554 O ALA A 36 0.513 -3.711 3.098 1.00 0.00 O ATOM 555 CB ALA A 36 3.654 -2.475 3.566 1.00 0.00 C ATOM 0 H ALA A 36 1.182 -1.600 2.237 1.00 0.00 H new ATOM 0 HA ALA A 36 3.336 -3.522 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.141 -3.319 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.410 -1.823 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.073 -1.917 4.300 1.00 0.00 H new ATOM 561 N ILE A 37 2.169 -5.229 3.283 1.00 0.00 N ATOM 562 CA ILE A 37 1.348 -6.320 3.816 1.00 0.00 C ATOM 563 C ILE A 37 1.892 -6.830 5.140 1.00 0.00 C ATOM 564 O ILE A 37 3.097 -6.991 5.298 1.00 0.00 O ATOM 565 CB ILE A 37 1.183 -7.425 2.750 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.170 -7.172 2.067 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.280 -8.860 3.287 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.384 -7.957 0.779 1.00 0.00 C ATOM 0 H ILE A 37 3.150 -5.484 3.171 1.00 0.00 H new ATOM 0 HA ILE A 37 0.350 -5.943 4.041 1.00 0.00 H new ATOM 0 HB ILE A 37 2.017 -7.361 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.968 -7.421 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.259 -6.108 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.152 -9.565 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.257 -9.011 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.500 -9.024 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.364 -7.717 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.389 -7.691 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.331 -9.025 0.991 1.00 0.00 H new ATOM 580 N MET A 38 0.994 -7.099 6.084 1.00 0.00 N ATOM 581 CA MET A 38 1.331 -7.481 7.448 1.00 0.00 C ATOM 582 C MET A 38 1.363 -9.004 7.600 1.00 0.00 C ATOM 583 O MET A 38 0.316 -9.644 7.721 1.00 0.00 O ATOM 584 CB MET A 38 0.345 -6.818 8.432 1.00 0.00 C ATOM 585 CG MET A 38 0.150 -5.298 8.303 1.00 0.00 C ATOM 586 SD MET A 38 1.299 -4.249 9.237 1.00 0.00 S ATOM 587 CE MET A 38 2.864 -4.764 8.500 1.00 0.00 C ATOM 0 H MET A 38 -0.011 -7.056 5.916 1.00 0.00 H new ATOM 0 HA MET A 38 2.334 -7.124 7.684 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.627 -7.296 8.312 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.682 -7.032 9.446 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.227 -5.033 7.249 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.865 -5.057 8.619 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.580 -3.944 8.557 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.255 -5.626 9.041 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.703 -5.033 7.456 1.00 0.00 H new ATOM 597 N VAL A 39 2.567 -9.578 7.638 1.00 0.00 N ATOM 598 CA VAL A 39 2.787 -11.020 7.875 1.00 0.00 C ATOM 599 C VAL A 39 3.455 -11.273 9.225 1.00 0.00 C ATOM 600 O VAL A 39 4.347 -10.537 9.638 1.00 0.00 O ATOM 601 CB VAL A 39 3.537 -11.682 6.701 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.928 -11.089 6.457 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.667 -13.200 6.861 1.00 0.00 C ATOM 0 H VAL A 39 3.432 -9.055 7.504 1.00 0.00 H new ATOM 0 HA VAL A 39 1.810 -11.500 7.922 1.00 0.00 H new ATOM 0 HB VAL A 39 2.914 -11.467 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.399 -11.600 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.836 -10.027 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.540 -11.217 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.203 -13.611 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.216 -13.424 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.674 -13.646 6.916 1.00 0.00 H new ATOM 613 N GLN A 40 3.023 -12.323 9.922 1.00 0.00 N ATOM 614 CA GLN A 40 3.654 -12.811 11.155 1.00 0.00 C ATOM 615 C GLN A 40 5.038 -13.407 10.844 1.00 0.00 C ATOM 616 O GLN A 40 5.162 -14.338 10.046 1.00 0.00 O ATOM 617 CB GLN A 40 2.716 -13.801 11.874 1.00 0.00 C ATOM 618 CG GLN A 40 2.070 -14.859 10.956 1.00 0.00 C ATOM 619 CD GLN A 40 1.266 -15.886 11.754 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.723 -16.984 12.048 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.048 -15.574 12.149 1.00 0.00 N ATOM 0 H GLN A 40 2.209 -12.871 9.643 1.00 0.00 H new ATOM 0 HA GLN A 40 3.819 -11.980 11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.279 -14.312 12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.925 -13.237 12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.417 -14.366 10.236 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.847 -15.369 10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.347 -14.664 11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.499 -16.243 12.691 1.00 0.00 H new ATOM 630 N SER A 41 6.096 -12.844 11.432 1.00 0.00 N ATOM 631 CA SER A 41 7.469 -13.114 10.993 1.00 0.00 C ATOM 632 C SER A 41 8.033 -14.449 11.484 1.00 0.00 C ATOM 633 O SER A 41 7.900 -14.779 12.668 1.00 0.00 O ATOM 634 CB SER A 41 8.415 -12.004 11.433 1.00 0.00 C ATOM 635 OG SER A 41 9.648 -12.154 10.758 1.00 0.00 O ATOM 0 H SER A 41 6.029 -12.196 12.217 1.00 0.00 H new ATOM 0 HA SER A 41 7.405 -13.162 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.981 -11.029 11.211 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.569 -12.046 12.511 1.00 0.00 H new ATOM 0 HG SER A 41 10.062 -11.275 10.634 1.00 0.00 H new ATOM 641 N PRO A 42 8.780 -15.163 10.623 1.00 0.00 N ATOM 642 CA PRO A 42 9.661 -16.240 11.050 1.00 0.00 C ATOM 643 C PRO A 42 10.866 -15.780 11.898 1.00 0.00 C ATOM 644 O PRO A 42 11.509 -16.622 12.529 1.00 0.00 O ATOM 645 CB PRO A 42 10.123 -16.933 9.760 1.00 0.00 C ATOM 646 CG PRO A 42 9.058 -16.557 8.732 1.00 0.00 C ATOM 647 CD PRO A 42 8.660 -15.153 9.174 1.00 0.00 C ATOM 0 HA PRO A 42 9.117 -16.910 11.717 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.111 -16.588 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.188 -18.013 9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.452 -16.567 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.213 -17.245 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.312 -14.400 8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.642 -14.916 8.864 1.00 0.00 H new ATOM 655 N MET A 43 11.198 -14.476 11.909 1.00 0.00 N ATOM 656 CA MET A 43 12.424 -13.928 12.524 1.00 0.00 C ATOM 657 C MET A 43 12.225 -12.743 13.492 1.00 0.00 C ATOM 658 O MET A 43 13.202 -12.212 14.025 1.00 0.00 O ATOM 659 CB MET A 43 13.440 -13.596 11.423 1.00 0.00 C ATOM 660 CG MET A 43 13.132 -12.322 10.624 1.00 0.00 C ATOM 661 SD MET A 43 13.505 -12.438 8.853 1.00 0.00 S ATOM 662 CE MET A 43 12.181 -13.580 8.368 1.00 0.00 C ATOM 0 H MET A 43 10.611 -13.759 11.483 1.00 0.00 H new ATOM 0 HA MET A 43 12.805 -14.715 13.174 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.426 -13.494 11.877 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.493 -14.437 10.732 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.077 -12.078 10.745 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.701 -11.495 11.049 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.616 -14.468 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.609 -13.869 9.250 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.521 -13.089 7.652 1.00 0.00 H new ATOM 672 N PHE A 44 10.980 -12.328 13.730 1.00 0.00 N ATOM 673 CA PHE A 44 10.604 -11.224 14.625 1.00 0.00 C ATOM 674 C PHE A 44 9.374 -11.587 15.477 1.00 0.00 C ATOM 675 O PHE A 44 8.537 -12.399 15.081 1.00 0.00 O ATOM 676 CB PHE A 44 10.390 -9.945 13.795 1.00 0.00 C ATOM 677 CG PHE A 44 9.953 -8.737 14.603 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.887 -8.040 15.394 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.605 -8.326 14.591 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.474 -6.941 16.169 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.194 -7.227 15.363 1.00 0.00 C ATOM 682 CZ PHE A 44 9.128 -6.535 16.153 1.00 0.00 C ATOM 0 H PHE A 44 10.172 -12.767 13.289 1.00 0.00 H new ATOM 0 HA PHE A 44 11.414 -11.039 15.331 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.318 -9.704 13.277 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.640 -10.145 13.029 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.922 -8.350 15.406 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.886 -8.858 13.986 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.191 -6.409 16.776 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.161 -6.914 15.350 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.812 -5.691 16.748 1.00 0.00 H new ATOM 692 N ASP A 45 9.256 -10.976 16.656 1.00 0.00 N ATOM 693 CA ASP A 45 8.248 -11.288 17.683 1.00 0.00 C ATOM 694 C ASP A 45 6.907 -10.556 17.444 1.00 0.00 C ATOM 695 O ASP A 45 6.340 -9.937 18.351 1.00 0.00 O ATOM 696 CB ASP A 45 8.845 -11.032 19.079 1.00 0.00 C ATOM 697 CG ASP A 45 10.052 -11.939 19.369 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.849 -13.142 19.664 1.00 0.00 O ATOM 699 OD2 ASP A 45 11.208 -11.452 19.319 1.00 0.00 O ATOM 0 H ASP A 45 9.881 -10.221 16.938 1.00 0.00 H new ATOM 0 HA ASP A 45 7.993 -12.346 17.615 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.150 -9.988 19.156 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.078 -11.197 19.836 1.00 0.00 H new ATOM 704 N GLY A 46 6.407 -10.587 16.205 1.00 0.00 N ATOM 705 CA GLY A 46 5.214 -9.864 15.775 1.00 0.00 C ATOM 706 C GLY A 46 5.038 -9.854 14.254 1.00 0.00 C ATOM 707 O GLY A 46 5.549 -10.718 13.534 1.00 0.00 O ATOM 0 H GLY A 46 6.835 -11.131 15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.336 -10.317 16.234 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.268 -8.837 16.136 1.00 0.00 H new ATOM 711 N LYS A 47 4.299 -8.853 13.772 1.00 0.00 N ATOM 712 CA LYS A 47 3.920 -8.666 12.366 1.00 0.00 C ATOM 713 C LYS A 47 4.885 -7.684 11.691 1.00 0.00 C ATOM 714 O LYS A 47 5.246 -6.668 12.287 1.00 0.00 O ATOM 715 CB LYS A 47 2.461 -8.175 12.300 1.00 0.00 C ATOM 716 CG LYS A 47 1.441 -9.120 12.981 1.00 0.00 C ATOM 717 CD LYS A 47 0.749 -10.118 12.041 1.00 0.00 C ATOM 718 CE LYS A 47 -0.138 -9.471 10.966 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.315 -8.754 11.530 1.00 0.00 N ATOM 0 H LYS A 47 3.931 -8.117 14.375 1.00 0.00 H new ATOM 0 HA LYS A 47 3.987 -9.611 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.399 -7.193 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.179 -8.048 11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.953 -9.678 13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.677 -8.514 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.511 -10.723 11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.139 -10.796 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.461 -8.771 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.486 -10.242 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.816 -8.255 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.958 -9.439 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.994 -8.066 12.241 1.00 0.00 H new ATOM 733 N VAL A 48 5.291 -7.975 10.454 1.00 0.00 N ATOM 734 CA VAL A 48 6.267 -7.186 9.678 1.00 0.00 C ATOM 735 C VAL A 48 5.741 -6.830 8.276 1.00 0.00 C ATOM 736 O VAL A 48 4.965 -7.610 7.715 1.00 0.00 O ATOM 737 CB VAL A 48 7.636 -7.892 9.582 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.274 -8.066 10.968 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.579 -9.262 8.893 1.00 0.00 C ATOM 0 H VAL A 48 4.944 -8.788 9.944 1.00 0.00 H new ATOM 0 HA VAL A 48 6.409 -6.254 10.226 1.00 0.00 H new ATOM 0 HB VAL A 48 8.246 -7.234 8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.237 -8.566 10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.420 -7.088 11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.618 -8.667 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.578 -9.696 8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.913 -9.922 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.205 -9.143 7.876 1.00 0.00 H new ATOM 749 N PRO A 49 6.127 -5.671 7.700 1.00 0.00 N ATOM 750 CA PRO A 49 5.620 -5.212 6.407 1.00 0.00 C ATOM 751 C PRO A 49 6.369 -5.803 5.201 1.00 0.00 C ATOM 752 O PRO A 49 7.597 -5.746 5.120 1.00 0.00 O ATOM 753 CB PRO A 49 5.748 -3.684 6.440 1.00 0.00 C ATOM 754 CG PRO A 49 6.968 -3.458 7.331 1.00 0.00 C ATOM 755 CD PRO A 49 6.888 -4.602 8.341 1.00 0.00 C ATOM 0 HA PRO A 49 4.591 -5.546 6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.895 -3.270 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.855 -3.213 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.895 -3.492 6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.932 -2.486 7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.885 -4.947 8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.400 -4.275 9.259 1.00 0.00 H new ATOM 763 N HIS A 50 5.620 -6.304 4.214 1.00 0.00 N ATOM 764 CA HIS A 50 6.100 -6.614 2.861 1.00 0.00 C ATOM 765 C HIS A 50 5.697 -5.477 1.935 1.00 0.00 C ATOM 766 O HIS A 50 4.529 -5.392 1.581 1.00 0.00 O ATOM 767 CB HIS A 50 5.521 -7.964 2.400 1.00 0.00 C ATOM 768 CG HIS A 50 6.258 -9.159 2.951 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.460 -10.369 2.282 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.838 -9.236 4.183 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.148 -11.148 3.132 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.411 -10.485 4.271 1.00 0.00 N ATOM 0 H HIS A 50 4.629 -6.512 4.338 1.00 0.00 H new ATOM 0 HA HIS A 50 7.186 -6.706 2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.475 -8.023 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.542 -8.006 1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.846 -8.467 4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.448 -12.165 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.943 -10.845 5.063 1.00 0.00 H new ATOM 780 N TRP A 51 6.625 -4.577 1.600 1.00 0.00 N ATOM 781 CA TRP A 51 6.343 -3.374 0.815 1.00 0.00 C ATOM 782 C TRP A 51 6.246 -3.676 -0.683 1.00 0.00 C ATOM 783 O TRP A 51 6.968 -4.508 -1.230 1.00 0.00 O ATOM 784 CB TRP A 51 7.407 -2.299 1.057 1.00 0.00 C ATOM 785 CG TRP A 51 7.526 -1.797 2.461 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.414 -2.248 3.376 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.755 -0.746 3.128 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.251 -1.559 4.559 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.231 -0.637 4.471 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.690 0.110 2.754 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.684 0.261 5.394 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.113 0.998 3.688 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.622 1.087 4.997 1.00 0.00 C ATOM 0 H TRP A 51 7.605 -4.665 1.870 1.00 0.00 H new ATOM 0 HA TRP A 51 5.375 -3.001 1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.374 -2.698 0.752 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.193 -1.451 0.406 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.140 -3.029 3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.815 -1.713 5.395 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.315 0.083 1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.074 0.318 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.275 1.613 3.396 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.195 1.791 5.696 1.00 0.00 H new ATOM 804 N TYR A 52 5.395 -2.938 -1.376 1.00 0.00 N ATOM 805 CA TYR A 52 5.321 -2.921 -2.828 1.00 0.00 C ATOM 806 C TYR A 52 4.898 -1.520 -3.298 1.00 0.00 C ATOM 807 O TYR A 52 4.312 -0.739 -2.539 1.00 0.00 O ATOM 808 CB TYR A 52 4.400 -4.037 -3.375 1.00 0.00 C ATOM 809 CG TYR A 52 4.036 -5.232 -2.497 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.158 -5.096 -1.401 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.521 -6.510 -2.837 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.768 -6.231 -0.658 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.136 -7.644 -2.097 1.00 0.00 C ATOM 814 CZ TYR A 52 3.265 -7.507 -0.998 1.00 0.00 C ATOM 815 OH TYR A 52 2.914 -8.600 -0.266 1.00 0.00 O ATOM 0 H TYR A 52 4.718 -2.317 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 52 6.308 -3.136 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.467 -3.565 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.869 -4.430 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.783 -4.120 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.195 -6.621 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.087 -6.122 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.509 -8.620 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 52 3.346 -9.396 -0.640 1.00 0.00 H new ATOM 825 N HIS A 53 5.180 -1.184 -4.557 1.00 0.00 N ATOM 826 CA HIS A 53 4.610 0.014 -5.195 1.00 0.00 C ATOM 827 C HIS A 53 3.070 0.008 -5.095 1.00 0.00 C ATOM 828 O HIS A 53 2.462 -1.064 -5.031 1.00 0.00 O ATOM 829 CB HIS A 53 5.026 0.068 -6.670 1.00 0.00 C ATOM 830 CG HIS A 53 6.507 0.200 -6.933 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.354 -0.732 -7.541 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.205 1.355 -6.749 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.524 -0.105 -7.736 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.463 1.150 -7.269 1.00 0.00 N ATOM 0 H HIS A 53 5.801 -1.723 -5.161 1.00 0.00 H new ATOM 0 HA HIS A 53 4.991 0.893 -4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.669 -0.837 -7.162 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.517 0.909 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.841 2.259 -6.284 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.391 -0.548 -8.203 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.218 1.835 -7.295 1.00 0.00 H new ATOM 842 N PHE A 54 2.420 1.180 -5.136 1.00 0.00 N ATOM 843 CA PHE A 54 0.949 1.256 -5.100 1.00 0.00 C ATOM 844 C PHE A 54 0.300 0.402 -6.206 1.00 0.00 C ATOM 845 O PHE A 54 -0.667 -0.309 -5.948 1.00 0.00 O ATOM 846 CB PHE A 54 0.480 2.711 -5.225 1.00 0.00 C ATOM 847 CG PHE A 54 -1.017 2.839 -5.482 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.946 2.482 -4.483 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.482 3.236 -6.752 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.324 2.482 -4.767 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.862 3.251 -7.027 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.779 2.852 -6.041 1.00 0.00 C ATOM 0 H PHE A 54 2.886 2.086 -5.194 1.00 0.00 H new ATOM 0 HA PHE A 54 0.632 0.855 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.732 3.247 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.024 3.193 -6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.599 2.208 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.777 3.529 -7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.032 2.197 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.216 3.569 -7.996 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.836 2.830 -6.264 1.00 0.00 H new ATOM 862 N SER A 55 0.862 0.423 -7.420 1.00 0.00 N ATOM 863 CA SER A 55 0.404 -0.369 -8.568 1.00 0.00 C ATOM 864 C SER A 55 0.637 -1.865 -8.325 1.00 0.00 C ATOM 865 O SER A 55 -0.258 -2.682 -8.552 1.00 0.00 O ATOM 866 CB SER A 55 1.176 0.121 -9.801 1.00 0.00 C ATOM 867 OG SER A 55 0.875 -0.629 -10.962 1.00 0.00 O ATOM 0 H SER A 55 1.670 1.007 -7.637 1.00 0.00 H new ATOM 0 HA SER A 55 -0.668 -0.239 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.941 1.170 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.246 0.063 -9.602 1.00 0.00 H new ATOM 0 HG SER A 55 1.389 -0.279 -11.720 1.00 0.00 H new ATOM 873 N CYS A 56 1.814 -2.217 -7.797 1.00 0.00 N ATOM 874 CA CYS A 56 2.254 -3.587 -7.586 1.00 0.00 C ATOM 875 C CYS A 56 1.424 -4.368 -6.547 1.00 0.00 C ATOM 876 O CYS A 56 1.197 -5.561 -6.738 1.00 0.00 O ATOM 877 CB CYS A 56 3.743 -3.590 -7.237 1.00 0.00 C ATOM 878 SG CYS A 56 4.772 -3.047 -8.657 1.00 0.00 S ATOM 0 H CYS A 56 2.504 -1.528 -7.497 1.00 0.00 H new ATOM 0 HA CYS A 56 2.090 -4.123 -8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.919 -2.931 -6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.044 -4.592 -6.932 1.00 0.00 H new ATOM 0 HG CYS A 56 5.724 -2.271 -8.231 1.00 0.00 H new ATOM 883 N PHE A 57 0.932 -3.726 -5.483 1.00 0.00 N ATOM 884 CA PHE A 57 0.010 -4.340 -4.511 1.00 0.00 C ATOM 885 C PHE A 57 -1.158 -5.058 -5.212 1.00 0.00 C ATOM 886 O PHE A 57 -1.449 -6.227 -4.944 1.00 0.00 O ATOM 887 CB PHE A 57 -0.516 -3.257 -3.561 1.00 0.00 C ATOM 888 CG PHE A 57 -1.473 -3.787 -2.509 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.824 -4.009 -2.834 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.016 -4.078 -1.210 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.712 -4.529 -1.879 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.914 -4.562 -0.241 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.260 -4.796 -0.577 1.00 0.00 C ATOM 0 H PHE A 57 1.162 -2.756 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 57 0.556 -5.093 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.329 -2.779 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.020 -2.487 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.181 -3.777 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.023 -3.930 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.740 -4.723 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.569 -4.755 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.944 -5.180 0.165 1.00 0.00 H new ATOM 903 N TRP A 58 -1.790 -4.382 -6.175 1.00 0.00 N ATOM 904 CA TRP A 58 -2.912 -4.924 -6.946 1.00 0.00 C ATOM 905 C TRP A 58 -2.478 -5.933 -8.027 1.00 0.00 C ATOM 906 O TRP A 58 -3.300 -6.741 -8.461 1.00 0.00 O ATOM 907 CB TRP A 58 -3.733 -3.766 -7.523 1.00 0.00 C ATOM 908 CG TRP A 58 -4.042 -2.662 -6.549 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.377 -1.490 -6.502 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.012 -2.605 -5.448 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.806 -0.741 -5.426 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.821 -1.374 -4.742 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.035 -3.458 -4.966 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.596 -1.012 -3.629 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.813 -3.106 -3.848 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.594 -1.889 -3.183 1.00 0.00 C ATOM 0 H TRP A 58 -1.534 -3.432 -6.444 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.540 -5.502 -6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.192 -3.343 -8.370 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.672 -4.163 -7.910 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.618 -1.182 -7.206 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.420 0.168 -5.169 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.221 -4.397 -5.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.426 -0.072 -3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.584 -3.777 -3.499 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.196 -1.628 -2.325 1.00 0.00 H new ATOM 927 N LYS A 59 -1.188 -5.966 -8.406 1.00 0.00 N ATOM 928 CA LYS A 59 -0.591 -7.056 -9.212 1.00 0.00 C ATOM 929 C LYS A 59 -0.414 -8.341 -8.393 1.00 0.00 C ATOM 930 O LYS A 59 -0.482 -9.430 -8.962 1.00 0.00 O ATOM 931 CB LYS A 59 0.765 -6.666 -9.813 1.00 0.00 C ATOM 932 CG LYS A 59 0.694 -5.426 -10.703 1.00 0.00 C ATOM 933 CD LYS A 59 2.106 -5.014 -11.134 1.00 0.00 C ATOM 934 CE LYS A 59 2.068 -3.534 -11.498 1.00 0.00 C ATOM 935 NZ LYS A 59 3.425 -2.934 -11.438 1.00 0.00 N ATOM 0 H LYS A 59 -0.522 -5.233 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.296 -7.236 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.475 -6.486 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.151 -7.502 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.082 -5.632 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.215 -4.608 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.818 -5.191 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.434 -5.609 -11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.658 -3.413 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.403 -3.005 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.345 -1.898 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.917 -3.272 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.965 -3.211 -12.283 1.00 0.00 H new ATOM 949 N VAL A 60 -0.199 -8.236 -7.073 1.00 0.00 N ATOM 950 CA VAL A 60 -0.206 -9.407 -6.164 1.00 0.00 C ATOM 951 C VAL A 60 -1.637 -9.951 -5.988 1.00 0.00 C ATOM 952 O VAL A 60 -1.830 -11.156 -5.820 1.00 0.00 O ATOM 953 CB VAL A 60 0.446 -9.091 -4.798 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.603 -10.347 -3.929 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.860 -8.514 -4.936 1.00 0.00 C ATOM 0 H VAL A 60 -0.017 -7.349 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 60 0.402 -10.183 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.229 -8.367 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.065 -10.077 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.377 -10.786 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.233 -11.071 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.268 -8.311 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.497 -9.232 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.821 -7.588 -5.509 1.00 0.00 H new ATOM 965 N GLY A 61 -2.650 -9.086 -6.114 1.00 0.00 N ATOM 966 CA GLY A 61 -4.064 -9.472 -6.236 1.00 0.00 C ATOM 967 C GLY A 61 -4.833 -9.588 -4.913 1.00 0.00 C ATOM 968 O GLY A 61 -5.892 -10.219 -4.877 1.00 0.00 O ATOM 0 H GLY A 61 -2.508 -8.076 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.569 -8.741 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.118 -10.430 -6.753 1.00 0.00 H new ATOM 972 N HIS A 62 -4.325 -8.993 -3.828 1.00 0.00 N ATOM 973 CA HIS A 62 -5.041 -8.903 -2.545 1.00 0.00 C ATOM 974 C HIS A 62 -6.264 -7.976 -2.633 1.00 0.00 C ATOM 975 O HIS A 62 -6.290 -7.033 -3.427 1.00 0.00 O ATOM 976 CB HIS A 62 -4.079 -8.477 -1.428 1.00 0.00 C ATOM 977 CG HIS A 62 -3.117 -9.577 -1.056 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.390 -10.634 -0.183 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.851 -9.721 -1.540 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.275 -11.383 -0.151 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.337 -10.862 -0.960 1.00 0.00 N ATOM 0 H HIS A 62 -3.403 -8.558 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.425 -9.894 -2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.518 -7.599 -1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.653 -8.185 -0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.349 -9.070 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.150 -12.277 0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.405 -11.245 -1.118 1.00 0.00 H new ATOM 989 N SER A 63 -7.281 -8.255 -1.812 1.00 0.00 N ATOM 990 CA SER A 63 -8.582 -7.571 -1.824 1.00 0.00 C ATOM 991 C SER A 63 -8.900 -6.926 -0.474 1.00 0.00 C ATOM 992 O SER A 63 -8.550 -7.452 0.585 1.00 0.00 O ATOM 993 CB SER A 63 -9.684 -8.548 -2.246 1.00 0.00 C ATOM 994 OG SER A 63 -10.904 -7.854 -2.443 1.00 0.00 O ATOM 0 H SER A 63 -7.222 -8.983 -1.100 1.00 0.00 H new ATOM 0 HA SER A 63 -8.532 -6.763 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.395 -9.059 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.813 -9.315 -1.482 1.00 0.00 H new ATOM 0 HG SER A 63 -11.601 -8.488 -2.714 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.556 -5.766 -0.520 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.783 -4.866 0.616 1.00 0.00 C ATOM 1002 C ILE A 64 -11.259 -4.443 0.610 1.00 0.00 C ATOM 1003 O ILE A 64 -11.797 -4.077 -0.439 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.825 -3.649 0.547 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.391 -4.014 0.090 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.815 -2.920 1.899 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.371 -2.876 0.204 1.00 0.00 C ATOM 0 H ILE A 64 -9.962 -5.411 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.568 -5.376 1.555 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.210 -2.981 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.040 -4.859 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.429 -4.347 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.141 -2.065 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.822 -2.574 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.476 -3.603 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.397 -3.225 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.692 -2.036 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.297 -2.556 1.243 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.927 -4.523 1.766 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.396 -4.400 1.912 1.00 0.00 C ATOM 1021 C ARG A 65 -13.831 -3.338 2.928 1.00 0.00 C ATOM 1022 O ARG A 65 -14.949 -2.830 2.834 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.046 -5.777 2.191 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.280 -6.701 3.158 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.244 -7.578 2.431 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.999 -7.707 3.207 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.104 -8.672 3.133 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.228 -9.705 2.347 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.056 -8.591 3.890 1.00 0.00 N ATOM 0 H ARG A 65 -11.454 -4.680 2.656 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.767 -4.040 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.045 -5.610 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.168 -6.298 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.776 -6.096 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.989 -7.340 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.666 -8.567 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.022 -7.146 1.455 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.807 -6.964 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.049 -9.795 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.504 -10.423 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.942 -7.797 4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.345 -9.322 3.856 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.943 -2.947 3.842 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.078 -1.764 4.701 1.00 0.00 C ATOM 1045 C HIS A 66 -11.733 -1.026 4.793 1.00 0.00 C ATOM 1046 O HIS A 66 -11.066 -1.059 5.827 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.767 -2.087 6.049 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.266 -3.222 6.926 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.337 -3.235 8.323 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.861 -4.460 6.519 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -12.929 -4.456 8.712 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.631 -5.210 7.646 1.00 0.00 N ATOM 0 H HIS A 66 -12.079 -3.461 4.013 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.769 -1.056 4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.735 -1.179 6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.816 -2.289 5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.743 -4.790 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.852 -4.782 9.739 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.293 -6.172 7.668 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.286 -0.378 3.695 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.909 0.095 3.547 1.00 0.00 C ATOM 1062 C PRO A 67 -9.466 1.133 4.582 1.00 0.00 C ATOM 1063 O PRO A 67 -8.314 1.099 5.000 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.800 0.644 2.116 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.248 0.935 1.730 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.011 -0.168 2.448 1.00 0.00 C ATOM 0 HA PRO A 67 -9.230 -0.738 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.187 1.544 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.344 -0.081 1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.564 1.926 2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.396 0.894 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.044 0.125 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.042 -1.080 1.851 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.359 1.995 5.075 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.024 2.954 6.141 1.00 0.00 C ATOM 1076 C ASP A 68 -9.722 2.268 7.491 1.00 0.00 C ATOM 1077 O ASP A 68 -9.097 2.860 8.374 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.181 3.958 6.257 1.00 0.00 C ATOM 1079 CG ASP A 68 -10.978 5.008 7.365 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.126 5.912 7.198 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.714 4.961 8.380 1.00 0.00 O ATOM 0 H ASP A 68 -11.325 2.051 4.754 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.103 3.473 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.305 4.469 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.106 3.413 6.449 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.133 1.002 7.639 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.926 0.170 8.830 1.00 0.00 C ATOM 1088 C VAL A 69 -8.749 -0.790 8.640 1.00 0.00 C ATOM 1089 O VAL A 69 -7.969 -0.999 9.572 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.205 -0.625 9.169 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.112 -1.262 10.561 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.471 0.246 9.127 1.00 0.00 C ATOM 0 H VAL A 69 -10.639 0.510 6.902 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.693 0.837 9.660 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.281 -1.397 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.028 -1.815 10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.262 -1.943 10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.980 -0.481 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.340 -0.364 9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.379 1.056 9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.592 0.664 8.128 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.607 -1.368 7.442 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.618 -2.419 7.137 1.00 0.00 C ATOM 1104 C GLU A 70 -6.273 -1.877 6.653 1.00 0.00 C ATOM 1105 O GLU A 70 -5.234 -2.456 6.971 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.154 -3.371 6.047 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.450 -4.119 6.376 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.872 -5.015 5.195 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.565 -4.543 4.261 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.525 -6.219 5.193 1.00 0.00 O ATOM 0 H GLU A 70 -9.185 -1.117 6.640 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.458 -2.940 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.314 -2.793 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.381 -4.107 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.309 -4.728 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.242 -3.405 6.599 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.292 -0.786 5.885 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.108 -0.112 5.347 1.00 0.00 C ATOM 1119 C VAL A 71 -4.642 0.932 6.349 1.00 0.00 C ATOM 1120 O VAL A 71 -5.094 2.078 6.376 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.356 0.465 3.952 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.005 0.865 3.383 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.953 -0.586 3.014 1.00 0.00 C ATOM 0 H VAL A 71 -7.163 -0.331 5.611 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.308 -0.839 5.209 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.048 1.303 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.140 1.283 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.544 1.612 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.360 -0.012 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.117 -0.145 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.265 -1.426 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.903 -0.937 3.418 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.704 0.516 7.187 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.971 1.408 8.071 1.00 0.00 C ATOM 1135 C ASP A 72 -2.199 2.469 7.262 1.00 0.00 C ATOM 1136 O ASP A 72 -1.687 2.192 6.180 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.064 0.542 8.945 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.164 1.403 9.841 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.601 1.778 10.954 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.042 1.749 9.400 1.00 0.00 O ATOM 0 H ASP A 72 -3.428 -0.462 7.273 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.647 1.971 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.673 -0.117 9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.447 -0.096 8.312 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.142 3.701 7.763 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.426 4.819 7.132 1.00 0.00 C ATOM 1147 C GLY A 73 -2.206 5.559 6.041 1.00 0.00 C ATOM 1148 O GLY A 73 -1.749 6.589 5.556 1.00 0.00 O ATOM 0 H GLY A 73 -2.600 3.960 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.147 5.534 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.500 4.439 6.700 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.424 5.118 5.716 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.378 5.830 4.852 1.00 0.00 C ATOM 1154 C PHE A 74 -4.692 7.253 5.362 1.00 0.00 C ATOM 1155 O PHE A 74 -4.981 8.151 4.573 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.633 4.945 4.794 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.788 5.471 3.972 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.888 5.139 2.608 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.789 6.251 4.580 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.987 5.588 1.859 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.883 6.709 3.826 1.00 0.00 C ATOM 1162 CZ PHE A 74 -8.979 6.378 2.465 1.00 0.00 C ATOM 0 H PHE A 74 -3.788 4.228 6.056 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.958 5.986 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.346 3.971 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.984 4.783 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.121 4.540 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.716 6.498 5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.070 5.326 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.647 7.313 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.817 6.731 1.882 1.00 0.00 H new ATOM 1172 N SER A 75 -4.564 7.493 6.670 1.00 0.00 N ATOM 1173 CA SER A 75 -4.614 8.819 7.308 1.00 0.00 C ATOM 1174 C SER A 75 -3.481 9.777 6.894 1.00 0.00 C ATOM 1175 O SER A 75 -3.622 10.992 7.043 1.00 0.00 O ATOM 1176 CB SER A 75 -4.568 8.639 8.829 1.00 0.00 C ATOM 1177 OG SER A 75 -3.519 7.754 9.201 1.00 0.00 O ATOM 0 H SER A 75 -4.417 6.741 7.344 1.00 0.00 H new ATOM 0 HA SER A 75 -5.543 9.279 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.422 9.606 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.522 8.248 9.183 1.00 0.00 H new ATOM 0 HG SER A 75 -3.506 7.654 10.176 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.366 9.264 6.363 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.198 10.052 5.932 1.00 0.00 C ATOM 1185 C GLU A 76 -1.354 10.608 4.497 1.00 0.00 C ATOM 1186 O GLU A 76 -0.615 11.507 4.092 1.00 0.00 O ATOM 1187 CB GLU A 76 0.087 9.202 6.042 1.00 0.00 C ATOM 1188 CG GLU A 76 0.339 8.616 7.447 1.00 0.00 C ATOM 1189 CD GLU A 76 1.533 7.641 7.487 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.543 7.853 6.775 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.490 6.647 8.254 1.00 0.00 O ATOM 0 H GLU A 76 -2.244 8.262 6.216 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.125 10.911 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.031 8.384 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.941 9.817 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.519 9.431 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.558 8.097 7.785 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.317 10.081 3.730 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.635 10.461 2.347 1.00 0.00 C ATOM 1200 C LEU A 77 -3.525 11.720 2.297 1.00 0.00 C ATOM 1201 O LEU A 77 -4.333 11.957 3.203 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.365 9.286 1.660 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.523 8.093 1.168 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.509 7.541 2.167 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.469 6.965 0.754 1.00 0.00 C ATOM 0 H LEU A 77 -2.927 9.340 4.075 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.704 10.688 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.109 8.903 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.908 9.686 0.804 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.931 8.477 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.973 6.705 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.800 8.324 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.029 7.199 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.887 6.113 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.073 6.664 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.122 7.313 -0.047 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.454 12.487 1.199 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.465 13.505 0.853 1.00 0.00 C ATOM 1219 C ARG A 78 -5.754 12.875 0.331 1.00 0.00 C ATOM 1220 O ARG A 78 -5.771 11.723 -0.107 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.909 14.525 -0.165 1.00 0.00 C ATOM 1222 CG ARG A 78 -2.957 15.546 0.472 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.727 16.526 1.373 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.834 17.553 1.947 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.445 18.688 1.389 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.830 19.049 0.197 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.645 19.492 2.027 1.00 0.00 N ATOM 0 H ARG A 78 -2.693 12.421 0.523 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.706 14.036 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.384 13.991 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.740 15.053 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.199 15.026 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.434 16.098 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.515 17.010 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.214 15.975 2.178 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.475 17.365 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.454 18.448 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.507 19.933 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.315 19.248 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.348 20.366 1.593 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.822 13.672 0.332 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.164 13.267 -0.092 1.00 0.00 C ATOM 1243 C TRP A 79 -8.192 12.612 -1.489 1.00 0.00 C ATOM 1244 O TRP A 79 -8.916 11.638 -1.693 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.115 14.475 0.019 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.164 14.592 -1.044 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.405 14.053 -1.026 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.044 15.269 -2.330 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.056 14.351 -2.209 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.257 15.090 -3.059 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.012 16.000 -2.954 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.436 15.613 -4.348 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.177 16.525 -4.250 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.385 16.334 -4.947 1.00 0.00 C ATOM 0 H TRP A 79 -6.777 14.645 0.636 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.511 12.482 0.580 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.613 14.431 0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.515 15.385 0.010 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.823 13.478 -0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.009 14.061 -2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.081 16.160 -2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.367 15.465 -4.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.372 17.077 -4.712 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.506 16.740 -5.940 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.366 13.079 -2.432 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.332 12.555 -3.805 1.00 0.00 C ATOM 1267 C ASP A 80 -6.667 11.168 -3.930 1.00 0.00 C ATOM 1268 O ASP A 80 -7.002 10.396 -4.827 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.667 13.568 -4.743 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.880 13.192 -6.222 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.032 12.873 -6.608 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.900 13.240 -7.005 1.00 0.00 O ATOM 0 H ASP A 80 -6.700 13.833 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.370 12.408 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.076 14.561 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.599 13.617 -4.529 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.741 10.818 -3.031 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.161 9.477 -2.948 1.00 0.00 C ATOM 1279 C ASP A 81 -6.037 8.568 -2.087 1.00 0.00 C ATOM 1280 O ASP A 81 -6.224 7.409 -2.443 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.718 9.540 -2.437 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.782 10.131 -3.498 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.609 9.494 -4.565 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.213 11.220 -3.254 1.00 0.00 O ATOM 0 H ASP A 81 -5.371 11.465 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.128 9.045 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.676 10.146 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.381 8.539 -2.167 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.664 9.090 -1.028 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.672 8.376 -0.242 1.00 0.00 C ATOM 1291 C GLN A 82 -8.845 7.899 -1.109 1.00 0.00 C ATOM 1292 O GLN A 82 -9.146 6.705 -1.124 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.179 9.283 0.891 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.174 9.350 2.046 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.629 10.251 3.194 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.529 11.076 3.081 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.014 10.138 4.349 1.00 0.00 N ATOM 0 H GLN A 82 -6.482 10.035 -0.689 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.202 7.488 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.358 10.286 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.134 8.908 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.004 8.344 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.219 9.712 1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.263 9.457 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.288 10.731 5.133 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.461 8.789 -1.894 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.582 8.420 -2.769 1.00 0.00 C ATOM 1308 C GLN A 83 -10.168 7.416 -3.856 1.00 0.00 C ATOM 1309 O GLN A 83 -10.965 6.551 -4.212 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.272 9.683 -3.328 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.468 10.504 -4.358 1.00 0.00 C ATOM 1312 CD GLN A 83 -10.571 10.038 -5.816 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -11.324 9.144 -6.179 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -9.836 10.638 -6.729 1.00 0.00 N ATOM 0 H GLN A 83 -9.202 9.774 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.324 7.893 -2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.213 9.383 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.522 10.335 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.799 11.541 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.418 10.489 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.198 11.387 -6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.904 10.354 -7.706 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.911 7.451 -4.319 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.354 6.589 -5.356 1.00 0.00 C ATOM 1325 C LYS A 84 -7.976 5.229 -4.781 1.00 0.00 C ATOM 1326 O LYS A 84 -8.249 4.225 -5.424 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.190 7.364 -5.997 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.375 6.618 -7.057 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.196 5.837 -6.458 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.147 6.654 -5.684 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.536 7.745 -6.489 1.00 0.00 N ATOM 0 H LYS A 84 -8.226 8.116 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.078 6.354 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.592 8.270 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.512 7.679 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.028 5.928 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.998 7.333 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.597 5.077 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.689 5.313 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.614 7.084 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.360 5.985 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.929 8.329 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.964 7.333 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.287 8.337 -6.898 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.429 5.160 -3.565 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.172 3.883 -2.862 1.00 0.00 C ATOM 1347 C VAL A 85 -8.500 3.190 -2.542 1.00 0.00 C ATOM 1348 O VAL A 85 -8.643 1.999 -2.817 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.321 4.097 -1.586 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.248 2.864 -0.667 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.874 4.465 -1.936 1.00 0.00 C ATOM 0 H VAL A 85 -7.149 5.984 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.593 3.236 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.831 4.904 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.634 3.095 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.252 2.593 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.806 2.030 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.303 4.609 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.426 3.662 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.864 5.387 -2.518 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.510 3.939 -2.069 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.873 3.417 -1.877 1.00 0.00 C ATOM 1363 C LYS A 86 -11.493 2.935 -3.193 1.00 0.00 C ATOM 1364 O LYS A 86 -11.966 1.802 -3.251 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.769 4.457 -1.182 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.413 4.602 0.306 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.504 5.365 1.070 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.312 5.235 2.585 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.353 5.997 3.329 1.00 0.00 N ATOM 0 H LYS A 86 -9.405 4.920 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.799 2.547 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.662 5.421 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.814 4.162 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.280 3.615 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.463 5.126 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.482 6.417 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.485 4.980 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.354 4.184 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.323 5.601 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.197 5.890 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.296 7.003 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.294 5.630 3.082 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.425 3.724 -4.274 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.977 3.323 -5.587 1.00 0.00 C ATOM 1385 C LYS A 87 -11.223 2.152 -6.207 1.00 0.00 C ATOM 1386 O LYS A 87 -11.855 1.283 -6.794 1.00 0.00 O ATOM 1387 CB LYS A 87 -12.088 4.522 -6.553 1.00 0.00 C ATOM 1388 CG LYS A 87 -13.502 5.131 -6.582 1.00 0.00 C ATOM 1389 CD LYS A 87 -14.061 5.557 -5.213 1.00 0.00 C ATOM 1390 CE LYS A 87 -15.561 5.857 -5.323 1.00 0.00 C ATOM 1391 NZ LYS A 87 -16.244 5.635 -4.024 1.00 0.00 N ATOM 0 H LYS A 87 -10.993 4.648 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.990 2.967 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.372 5.289 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.814 4.201 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.492 6.001 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.184 4.405 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.894 4.766 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.532 6.440 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.707 6.889 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.008 5.220 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.274 5.695 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.997 4.693 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.941 6.361 -3.344 1.00 0.00 H new ATOM 1405 N THR A 88 -9.911 2.054 -6.005 1.00 0.00 N ATOM 1406 CA THR A 88 -9.100 0.910 -6.439 1.00 0.00 C ATOM 1407 C THR A 88 -9.445 -0.366 -5.664 1.00 0.00 C ATOM 1408 O THR A 88 -9.480 -1.444 -6.257 1.00 0.00 O ATOM 1409 CB THR A 88 -7.601 1.221 -6.350 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.300 2.374 -7.103 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.786 0.108 -6.987 1.00 0.00 C ATOM 0 H THR A 88 -9.370 2.776 -5.529 1.00 0.00 H new ATOM 0 HA THR A 88 -9.343 0.728 -7.486 1.00 0.00 H new ATOM 0 HB THR A 88 -7.363 1.344 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.706 3.158 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.725 0.347 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.983 -0.830 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.064 0.008 -8.036 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.791 -0.263 -4.378 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.254 -1.392 -3.578 1.00 0.00 C ATOM 1421 C ALA A 89 -11.670 -1.827 -3.993 1.00 0.00 C ATOM 1422 O ALA A 89 -11.933 -3.023 -4.125 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.180 -0.996 -2.102 1.00 0.00 C ATOM 0 H ALA A 89 -9.756 0.616 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.614 -2.258 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.522 -1.827 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.150 -0.751 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.815 -0.128 -1.926 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.559 -0.870 -4.299 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.885 -1.161 -4.864 1.00 0.00 C ATOM 1431 C GLU A 90 -13.801 -1.788 -6.270 1.00 0.00 C ATOM 1432 O GLU A 90 -14.604 -2.654 -6.625 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.754 0.110 -4.912 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.201 0.579 -3.523 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.161 1.781 -3.619 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.378 1.574 -3.847 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -15.716 2.945 -3.461 1.00 0.00 O ATOM 0 H GLU A 90 -12.380 0.125 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.350 -1.891 -4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.194 0.909 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.634 -0.080 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.693 -0.241 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.328 0.855 -2.932 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.799 -1.382 -7.053 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.492 -1.883 -8.391 1.00 0.00 C ATOM 1446 C ALA A 91 -11.761 -3.246 -8.400 1.00 0.00 C ATOM 1447 O ALA A 91 -11.688 -3.898 -9.445 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.669 -0.791 -9.087 1.00 0.00 C ATOM 0 H ALA A 91 -12.147 -0.657 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.422 -2.085 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.412 -1.116 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.254 0.127 -9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.756 -0.607 -8.521 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.220 -3.688 -7.256 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.420 -4.914 -7.138 1.00 0.00 C ATOM 1456 C GLY A 92 -9.030 -4.819 -7.790 1.00 0.00 C ATOM 1457 O GLY A 92 -8.513 -5.826 -8.278 1.00 0.00 O ATOM 0 H GLY A 92 -11.329 -3.194 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.299 -5.156 -6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.968 -5.739 -7.594 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.441 -3.618 -7.831 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.189 -3.301 -8.517 1.00 0.00 C ATOM 1463 C GLY A 93 -7.385 -2.459 -9.781 1.00 0.00 C ATOM 1464 O GLY A 93 -8.409 -2.559 -10.460 1.00 0.00 O ATOM 0 H GLY A 93 -8.845 -2.806 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.533 -2.766 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.683 -4.229 -8.783 1.00 0.00 H new