USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot 180:sc= 0.801 USER MOD Set 1.2: A 97 THR OG1 : rot 114:sc= -1.41! USER MOD Set 2.1: A 79 LYS NZ :NH3+ -170:sc= 1.33 (180deg=-0.105) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 46 GLN : amide:sc= -0.36 X(o=-0.22,f=-0.59) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0.145 USER MOD Set 3.3: A 68 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 11 THR OG1 : rot 93:sc= 0.335 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -2.3! USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -0.688 (180deg=-1.99!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0497 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.07) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 1.23 (180deg=1.03) USER MOD Single : A 41 GLN : amide:sc= -1.3 K(o=-1.3,f=-3) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.5) USER MOD Single : A 52 GLN : amide:sc= -1.56 K(o=-1.6,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00699) USER MOD Single : A 65 THR OG1 : rot 150:sc= 0 USER MOD Single : A 71 SER OG : rot 73:sc= 1.19 USER MOD Single : A 73 GLN : amide:sc= 1.16 K(o=1.2,f=-2.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 28:sc= 0.196 USER MOD Single : A 86 TYR OH : rot -140:sc= -4.43! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 102 SER OG : rot 180:sc= -0.026 USER MOD Single : A 104 CYS SG : rot 174:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 0.366 5.812 -8.899 1.00 0.00 N ATOM 65 CA TYR A 6 0.357 4.446 -9.262 1.00 0.00 C ATOM 66 C TYR A 6 1.125 4.230 -10.536 1.00 0.00 C ATOM 67 O TYR A 6 0.915 4.930 -11.538 1.00 0.00 O ATOM 68 CB TYR A 6 -1.057 3.823 -9.267 1.00 0.00 C ATOM 69 CG TYR A 6 -2.111 4.497 -10.141 1.00 0.00 C ATOM 70 CD1 TYR A 6 -2.249 4.168 -11.484 1.00 0.00 C ATOM 71 CD2 TYR A 6 -2.999 5.423 -9.601 1.00 0.00 C ATOM 72 CE1 TYR A 6 -3.236 4.742 -12.262 1.00 0.00 C ATOM 73 CE2 TYR A 6 -3.983 6.007 -10.377 1.00 0.00 C ATOM 74 CZ TYR A 6 -4.098 5.661 -11.705 1.00 0.00 C ATOM 75 OH TYR A 6 -5.100 6.220 -12.480 1.00 0.00 O ATOM 0 HA TYR A 6 0.880 3.894 -8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.968 2.784 -9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.425 3.812 -8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.573 3.451 -11.927 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.918 5.690 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.331 4.471 -13.303 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.658 6.731 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.621 6.848 -11.937 1.00 0.00 H new ATOM 85 N LEU A 7 2.047 3.314 -10.470 1.00 0.00 N ATOM 86 CA LEU A 7 2.926 3.010 -11.569 1.00 0.00 C ATOM 87 C LEU A 7 2.521 1.687 -12.196 1.00 0.00 C ATOM 88 O LEU A 7 1.525 1.085 -11.789 1.00 0.00 O ATOM 89 CB LEU A 7 4.377 2.978 -11.084 1.00 0.00 C ATOM 90 CG LEU A 7 4.900 4.278 -10.443 1.00 0.00 C ATOM 91 CD1 LEU A 7 6.312 4.094 -9.933 1.00 0.00 C ATOM 92 CD2 LEU A 7 4.844 5.435 -11.434 1.00 0.00 C ATOM 0 H LEU A 7 2.214 2.746 -9.639 1.00 0.00 H new ATOM 0 HA LEU A 7 2.845 3.786 -12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.480 2.171 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.017 2.730 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 7 4.254 4.517 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.661 5.024 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.328 3.302 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.966 3.823 -10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.218 6.341 -10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.460 5.201 -12.302 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.813 5.592 -11.752 1.00 0.00 H new ATOM 104 N THR A 8 3.279 1.225 -13.158 1.00 0.00 N ATOM 105 CA THR A 8 2.919 0.055 -13.903 1.00 0.00 C ATOM 106 C THR A 8 4.072 -0.939 -14.010 1.00 0.00 C ATOM 107 O THR A 8 5.243 -0.578 -13.824 1.00 0.00 O ATOM 108 CB THR A 8 2.418 0.474 -15.303 1.00 0.00 C ATOM 109 OG1 THR A 8 3.327 1.452 -15.877 1.00 0.00 O ATOM 110 CG2 THR A 8 1.021 1.076 -15.201 1.00 0.00 C ATOM 0 H THR A 8 4.161 1.651 -13.443 1.00 0.00 H new ATOM 0 HA THR A 8 2.119 -0.457 -13.368 1.00 0.00 H new ATOM 0 HB THR A 8 2.381 -0.408 -15.943 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.007 1.714 -16.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.677 1.368 -16.193 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.337 0.338 -14.782 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.049 1.953 -14.554 1.00 0.00 H new ATOM 118 N VAL A 9 3.729 -2.191 -14.274 1.00 0.00 N ATOM 119 CA VAL A 9 4.704 -3.257 -14.444 1.00 0.00 C ATOM 120 C VAL A 9 5.567 -2.946 -15.657 1.00 0.00 C ATOM 121 O VAL A 9 5.045 -2.608 -16.713 1.00 0.00 O ATOM 122 CB VAL A 9 3.996 -4.630 -14.662 1.00 0.00 C ATOM 123 CG1 VAL A 9 5.004 -5.749 -14.892 1.00 0.00 C ATOM 124 CG2 VAL A 9 3.093 -4.965 -13.483 1.00 0.00 C ATOM 0 H VAL A 9 2.761 -2.497 -14.377 1.00 0.00 H new ATOM 0 HA VAL A 9 5.315 -3.320 -13.543 1.00 0.00 H new ATOM 0 HB VAL A 9 3.382 -4.543 -15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.475 -6.690 -15.040 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.601 -5.525 -15.776 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.658 -5.833 -14.024 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.610 -5.926 -13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.689 -5.018 -12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.333 -4.191 -13.375 1.00 0.00 H new ATOM 134 N GLY A 10 6.867 -3.027 -15.500 1.00 0.00 N ATOM 135 CA GLY A 10 7.748 -2.769 -16.613 1.00 0.00 C ATOM 136 C GLY A 10 8.486 -1.457 -16.491 1.00 0.00 C ATOM 137 O GLY A 10 9.412 -1.193 -17.248 1.00 0.00 O ATOM 0 H GLY A 10 7.333 -3.266 -14.625 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.472 -3.580 -16.692 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.168 -2.769 -17.536 1.00 0.00 H new ATOM 141 N THR A 11 8.076 -0.631 -15.555 1.00 0.00 N ATOM 142 CA THR A 11 8.713 0.618 -15.345 1.00 0.00 C ATOM 143 C THR A 11 9.997 0.434 -14.492 1.00 0.00 C ATOM 144 O THR A 11 10.027 -0.386 -13.547 1.00 0.00 O ATOM 145 CB THR A 11 7.718 1.562 -14.664 1.00 0.00 C ATOM 146 OG1 THR A 11 6.505 1.601 -15.450 1.00 0.00 O ATOM 147 CG2 THR A 11 8.279 2.953 -14.561 1.00 0.00 C ATOM 0 H THR A 11 7.294 -0.819 -14.928 1.00 0.00 H new ATOM 0 HA THR A 11 9.019 1.049 -16.298 1.00 0.00 H new ATOM 0 HB THR A 11 7.517 1.195 -13.658 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.872 0.936 -15.108 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.552 3.603 -14.074 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.198 2.932 -13.975 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.494 3.333 -15.560 1.00 0.00 H new ATOM 155 N ASP A 12 11.037 1.153 -14.865 1.00 0.00 N ATOM 156 CA ASP A 12 12.329 1.109 -14.187 1.00 0.00 C ATOM 157 C ASP A 12 12.360 2.161 -13.113 1.00 0.00 C ATOM 158 O ASP A 12 12.478 3.365 -13.395 1.00 0.00 O ATOM 159 CB ASP A 12 13.506 1.377 -15.150 1.00 0.00 C ATOM 160 CG ASP A 12 13.666 0.371 -16.263 1.00 0.00 C ATOM 161 OD1 ASP A 12 13.010 0.529 -17.319 1.00 0.00 O ATOM 162 OD2 ASP A 12 14.506 -0.548 -16.147 1.00 0.00 O ATOM 0 H ASP A 12 11.014 1.795 -15.658 1.00 0.00 H new ATOM 0 HA ASP A 12 12.442 0.107 -13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.376 2.365 -15.591 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.429 1.405 -14.571 1.00 0.00 H new ATOM 167 N VAL A 13 12.238 1.741 -11.905 1.00 0.00 N ATOM 168 CA VAL A 13 12.248 2.644 -10.799 1.00 0.00 C ATOM 169 C VAL A 13 13.471 2.412 -9.964 1.00 0.00 C ATOM 170 O VAL A 13 14.315 1.606 -10.308 1.00 0.00 O ATOM 171 CB VAL A 13 10.969 2.541 -9.925 1.00 0.00 C ATOM 172 CG1 VAL A 13 9.750 2.984 -10.710 1.00 0.00 C ATOM 173 CG2 VAL A 13 10.778 1.131 -9.400 1.00 0.00 C ATOM 0 H VAL A 13 12.128 0.760 -11.649 1.00 0.00 H new ATOM 0 HA VAL A 13 12.266 3.654 -11.208 1.00 0.00 H new ATOM 0 HB VAL A 13 11.093 3.206 -9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.863 2.905 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.878 4.019 -11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.631 2.347 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.875 1.089 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.684 0.440 -10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.638 0.849 -8.793 1.00 0.00 H new ATOM 183 N SER A 14 13.600 3.144 -8.931 1.00 0.00 N ATOM 184 CA SER A 14 14.662 2.944 -8.024 1.00 0.00 C ATOM 185 C SER A 14 14.111 2.901 -6.634 1.00 0.00 C ATOM 186 O SER A 14 13.240 3.703 -6.277 1.00 0.00 O ATOM 187 CB SER A 14 15.771 3.966 -8.236 1.00 0.00 C ATOM 188 OG SER A 14 15.234 5.229 -8.518 1.00 0.00 O ATOM 0 H SER A 14 12.968 3.906 -8.685 1.00 0.00 H new ATOM 0 HA SER A 14 15.144 1.983 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 14 16.396 4.022 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 14 16.414 3.647 -9.057 1.00 0.00 H new ATOM 0 HG SER A 14 15.962 5.872 -8.649 1.00 0.00 H new ATOM 194 N ALA A 15 14.579 1.957 -5.895 1.00 0.00 N ATOM 195 CA ALA A 15 14.068 1.638 -4.605 1.00 0.00 C ATOM 196 C ALA A 15 15.081 1.980 -3.565 1.00 0.00 C ATOM 197 O ALA A 15 16.247 1.576 -3.679 1.00 0.00 O ATOM 198 CB ALA A 15 13.799 0.150 -4.562 1.00 0.00 C ATOM 0 H ALA A 15 15.357 1.363 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 15 13.155 2.201 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.406 -0.121 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.070 -0.110 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.727 -0.393 -4.743 1.00 0.00 H new ATOM 204 N LYS A 16 14.686 2.769 -2.602 1.00 0.00 N ATOM 205 CA LYS A 16 15.550 3.034 -1.491 1.00 0.00 C ATOM 206 C LYS A 16 15.546 1.833 -0.540 1.00 0.00 C ATOM 207 O LYS A 16 14.500 1.425 -0.014 1.00 0.00 O ATOM 208 CB LYS A 16 15.184 4.351 -0.771 1.00 0.00 C ATOM 209 CG LYS A 16 13.796 4.363 -0.151 1.00 0.00 C ATOM 210 CD LYS A 16 13.398 5.708 0.477 1.00 0.00 C ATOM 211 CE LYS A 16 13.983 5.953 1.877 1.00 0.00 C ATOM 212 NZ LYS A 16 15.452 6.030 1.906 1.00 0.00 N ATOM 0 H LYS A 16 13.779 3.234 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 16 16.564 3.174 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.920 4.540 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.258 5.173 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.066 4.102 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.745 3.588 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.720 6.513 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.311 5.760 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.573 6.882 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.658 5.152 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.752 6.647 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.847 5.078 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.797 6.420 1.006 1.00 0.00 H new ATOM 226 N TYR A 17 16.685 1.248 -0.390 1.00 0.00 N ATOM 227 CA TYR A 17 16.887 0.141 0.489 1.00 0.00 C ATOM 228 C TYR A 17 18.093 0.494 1.331 1.00 0.00 C ATOM 229 O TYR A 17 19.043 1.077 0.808 1.00 0.00 O ATOM 230 CB TYR A 17 17.148 -1.172 -0.316 1.00 0.00 C ATOM 231 CG TYR A 17 18.497 -1.230 -1.017 1.00 0.00 C ATOM 232 CD1 TYR A 17 18.720 -0.541 -2.197 1.00 0.00 C ATOM 233 CD2 TYR A 17 19.555 -1.956 -0.471 1.00 0.00 C ATOM 234 CE1 TYR A 17 19.952 -0.570 -2.808 1.00 0.00 C ATOM 235 CE2 TYR A 17 20.787 -1.991 -1.086 1.00 0.00 C ATOM 236 CZ TYR A 17 20.980 -1.292 -2.253 1.00 0.00 C ATOM 237 OH TYR A 17 22.216 -1.311 -2.872 1.00 0.00 O ATOM 0 H TYR A 17 17.528 1.533 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 17 16.005 -0.039 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.070 -2.020 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.361 -1.288 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.917 0.026 -2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.406 -2.500 0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.111 -0.024 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.595 -2.563 -0.654 1.00 0.00 H new ATOM 0 HH TYR A 17 22.834 -1.866 -2.352 1.00 0.00 H new ATOM 247 N ARG A 18 18.022 0.250 2.624 1.00 0.00 N ATOM 248 CA ARG A 18 19.148 0.486 3.551 1.00 0.00 C ATOM 249 C ARG A 18 19.572 1.991 3.525 1.00 0.00 C ATOM 250 O ARG A 18 20.706 2.347 3.853 1.00 0.00 O ATOM 251 CB ARG A 18 20.337 -0.423 3.130 1.00 0.00 C ATOM 252 CG ARG A 18 21.433 -0.599 4.167 1.00 0.00 C ATOM 253 CD ARG A 18 20.934 -1.412 5.345 1.00 0.00 C ATOM 254 NE ARG A 18 21.984 -1.653 6.331 1.00 0.00 N ATOM 255 CZ ARG A 18 22.556 -2.843 6.568 1.00 0.00 C ATOM 256 NH1 ARG A 18 22.291 -3.897 5.786 1.00 0.00 N ATOM 257 NH2 ARG A 18 23.428 -2.965 7.554 1.00 0.00 N ATOM 0 H ARG A 18 17.186 -0.119 3.078 1.00 0.00 H new ATOM 0 HA ARG A 18 18.843 0.243 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.945 -1.407 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.782 -0.011 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 18 22.292 -1.095 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.774 0.377 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.104 -0.889 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.547 -2.366 4.988 1.00 0.00 H new ATOM 0 HE ARG A 18 22.307 -0.857 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.648 -3.800 5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.732 -4.797 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.663 -2.157 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.866 -3.867 7.739 1.00 0.00 H new ATOM 271 N GLY A 19 18.633 2.853 3.170 1.00 0.00 N ATOM 272 CA GLY A 19 18.890 4.280 3.114 1.00 0.00 C ATOM 273 C GLY A 19 19.485 4.746 1.784 1.00 0.00 C ATOM 274 O GLY A 19 19.925 5.895 1.673 1.00 0.00 O ATOM 0 H GLY A 19 17.682 2.586 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.957 4.815 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 19.571 4.549 3.921 1.00 0.00 H new ATOM 278 N ALA A 20 19.498 3.882 0.785 1.00 0.00 N ATOM 279 CA ALA A 20 20.088 4.213 -0.514 1.00 0.00 C ATOM 280 C ALA A 20 19.206 3.711 -1.639 1.00 0.00 C ATOM 281 O ALA A 20 18.714 2.602 -1.576 1.00 0.00 O ATOM 282 CB ALA A 20 21.480 3.603 -0.631 1.00 0.00 C ATOM 0 H ALA A 20 19.107 2.941 0.842 1.00 0.00 H new ATOM 0 HA ALA A 20 20.169 5.297 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.908 3.856 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 20 22.117 3.997 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.411 2.519 -0.536 1.00 0.00 H new ATOM 288 N PHE A 21 18.997 4.502 -2.660 1.00 0.00 N ATOM 289 CA PHE A 21 18.181 4.039 -3.766 1.00 0.00 C ATOM 290 C PHE A 21 18.999 3.533 -4.939 1.00 0.00 C ATOM 291 O PHE A 21 19.940 4.186 -5.394 1.00 0.00 O ATOM 292 CB PHE A 21 17.079 5.048 -4.196 1.00 0.00 C ATOM 293 CG PHE A 21 17.546 6.425 -4.588 1.00 0.00 C ATOM 294 CD1 PHE A 21 18.049 6.668 -5.849 1.00 0.00 C ATOM 295 CD2 PHE A 21 17.452 7.478 -3.695 1.00 0.00 C ATOM 296 CE1 PHE A 21 18.459 7.938 -6.213 1.00 0.00 C ATOM 297 CE2 PHE A 21 17.859 8.749 -4.051 1.00 0.00 C ATOM 298 CZ PHE A 21 18.363 8.980 -5.312 1.00 0.00 C ATOM 0 H PHE A 21 19.367 5.448 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 21 17.645 3.174 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.534 4.620 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.369 5.149 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.124 5.858 -6.560 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.055 7.304 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.854 8.115 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.782 9.560 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.682 9.972 -5.595 1.00 0.00 H new ATOM 308 N CYS A 22 18.650 2.354 -5.382 1.00 0.00 N ATOM 309 CA CYS A 22 19.255 1.714 -6.539 1.00 0.00 C ATOM 310 C CYS A 22 18.117 1.271 -7.443 1.00 0.00 C ATOM 311 O CYS A 22 16.986 1.115 -6.955 1.00 0.00 O ATOM 312 CB CYS A 22 20.103 0.517 -6.092 1.00 0.00 C ATOM 313 SG CYS A 22 21.033 -0.307 -7.404 1.00 0.00 S ATOM 0 H CYS A 22 17.920 1.792 -4.944 1.00 0.00 H new ATOM 0 HA CYS A 22 19.917 2.397 -7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.805 0.855 -5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 22 19.448 -0.215 -5.620 1.00 0.00 H new ATOM 0 HG CYS A 22 21.709 -1.297 -6.901 1.00 0.00 H new ATOM 319 N GLU A 23 18.370 1.083 -8.726 1.00 0.00 N ATOM 320 CA GLU A 23 17.294 0.768 -9.643 1.00 0.00 C ATOM 321 C GLU A 23 16.796 -0.658 -9.492 1.00 0.00 C ATOM 322 O GLU A 23 17.567 -1.597 -9.195 1.00 0.00 O ATOM 323 CB GLU A 23 17.654 1.068 -11.094 1.00 0.00 C ATOM 324 CG GLU A 23 18.610 0.093 -11.738 1.00 0.00 C ATOM 325 CD GLU A 23 19.079 0.599 -13.061 1.00 0.00 C ATOM 326 OE1 GLU A 23 18.371 0.421 -14.080 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.138 1.254 -13.105 1.00 0.00 O ATOM 0 H GLU A 23 19.296 1.142 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 23 16.473 1.430 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.736 1.092 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 18.090 2.066 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 23 19.466 -0.070 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.119 -0.872 -11.867 1.00 0.00 H new ATOM 334 N ALA A 24 15.532 -0.799 -9.708 1.00 0.00 N ATOM 335 CA ALA A 24 14.830 -2.028 -9.615 1.00 0.00 C ATOM 336 C ALA A 24 13.657 -1.935 -10.558 1.00 0.00 C ATOM 337 O ALA A 24 13.089 -0.859 -10.738 1.00 0.00 O ATOM 338 CB ALA A 24 14.368 -2.262 -8.191 1.00 0.00 C ATOM 0 H ALA A 24 14.932 -0.016 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 24 15.469 -2.869 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.831 -3.209 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.233 -2.295 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.707 -1.451 -7.885 1.00 0.00 H new ATOM 344 N LYS A 25 13.289 -3.006 -11.157 1.00 0.00 N ATOM 345 CA LYS A 25 12.249 -2.938 -12.158 1.00 0.00 C ATOM 346 C LYS A 25 10.958 -3.488 -11.620 1.00 0.00 C ATOM 347 O LYS A 25 10.953 -4.528 -10.982 1.00 0.00 O ATOM 348 CB LYS A 25 12.677 -3.655 -13.435 1.00 0.00 C ATOM 349 CG LYS A 25 11.689 -3.519 -14.581 1.00 0.00 C ATOM 350 CD LYS A 25 12.257 -4.102 -15.847 1.00 0.00 C ATOM 351 CE LYS A 25 11.340 -3.865 -17.029 1.00 0.00 C ATOM 352 NZ LYS A 25 11.985 -4.226 -18.304 1.00 0.00 N ATOM 0 H LYS A 25 13.675 -3.935 -10.988 1.00 0.00 H new ATOM 0 HA LYS A 25 12.082 -1.891 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.643 -3.263 -13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.819 -4.713 -13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.758 -4.026 -14.327 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.447 -2.468 -14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.232 -3.658 -16.047 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.415 -5.173 -15.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.428 -4.450 -16.905 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.045 -2.816 -17.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.326 -4.050 -19.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.841 -3.650 -18.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.244 -5.233 -18.289 1.00 0.00 H new ATOM 366 N ILE A 26 9.876 -2.777 -11.845 1.00 0.00 N ATOM 367 CA ILE A 26 8.577 -3.199 -11.356 1.00 0.00 C ATOM 368 C ILE A 26 8.140 -4.486 -12.047 1.00 0.00 C ATOM 369 O ILE A 26 7.894 -4.509 -13.262 1.00 0.00 O ATOM 370 CB ILE A 26 7.495 -2.115 -11.546 1.00 0.00 C ATOM 371 CG1 ILE A 26 7.969 -0.775 -10.968 1.00 0.00 C ATOM 372 CG2 ILE A 26 6.222 -2.558 -10.848 1.00 0.00 C ATOM 373 CD1 ILE A 26 6.977 0.354 -11.119 1.00 0.00 C ATOM 0 H ILE A 26 9.867 -1.900 -12.365 1.00 0.00 H new ATOM 0 HA ILE A 26 8.685 -3.374 -10.286 1.00 0.00 H new ATOM 0 HB ILE A 26 7.305 -1.981 -12.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.192 -0.908 -9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.901 -0.492 -11.457 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.452 -1.797 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.879 -3.498 -11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.419 -2.697 -9.785 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.392 1.263 -10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.771 0.519 -12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.051 0.096 -10.605 1.00 0.00 H new ATOM 385 N LYS A 27 8.077 -5.534 -11.273 1.00 0.00 N ATOM 386 CA LYS A 27 7.699 -6.846 -11.731 1.00 0.00 C ATOM 387 C LYS A 27 6.208 -7.072 -11.502 1.00 0.00 C ATOM 388 O LYS A 27 5.523 -7.663 -12.329 1.00 0.00 O ATOM 389 CB LYS A 27 8.524 -7.899 -10.979 1.00 0.00 C ATOM 390 CG LYS A 27 8.162 -9.332 -11.305 1.00 0.00 C ATOM 391 CD LYS A 27 9.029 -10.310 -10.536 1.00 0.00 C ATOM 392 CE LYS A 27 8.635 -11.747 -10.835 1.00 0.00 C ATOM 393 NZ LYS A 27 9.436 -12.707 -10.058 1.00 0.00 N ATOM 0 H LYS A 27 8.293 -5.500 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 27 7.897 -6.932 -12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.579 -7.744 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.400 -7.741 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.113 -9.507 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.278 -9.504 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.076 -10.155 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.936 -10.120 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.578 -11.889 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.763 -11.945 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.948 -13.625 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.368 -12.823 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.558 -12.352 -9.088 1.00 0.00 H new ATOM 407 N THR A 28 5.716 -6.605 -10.389 1.00 0.00 N ATOM 408 CA THR A 28 4.320 -6.752 -10.060 1.00 0.00 C ATOM 409 C THR A 28 3.808 -5.448 -9.462 1.00 0.00 C ATOM 410 O THR A 28 4.548 -4.746 -8.758 1.00 0.00 O ATOM 411 CB THR A 28 4.118 -7.893 -9.040 1.00 0.00 C ATOM 412 OG1 THR A 28 4.798 -9.079 -9.499 1.00 0.00 O ATOM 413 CG2 THR A 28 2.636 -8.216 -8.853 1.00 0.00 C ATOM 0 H THR A 28 6.266 -6.113 -9.685 1.00 0.00 H new ATOM 0 HA THR A 28 3.768 -6.993 -10.969 1.00 0.00 H new ATOM 0 HB THR A 28 4.528 -7.564 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.670 -9.802 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.528 -9.023 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.114 -7.331 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.208 -8.524 -9.807 1.00 0.00 H new ATOM 421 N VAL A 29 2.579 -5.126 -9.759 1.00 0.00 N ATOM 422 CA VAL A 29 1.941 -3.948 -9.242 1.00 0.00 C ATOM 423 C VAL A 29 0.687 -4.339 -8.531 1.00 0.00 C ATOM 424 O VAL A 29 -0.218 -4.939 -9.122 1.00 0.00 O ATOM 425 CB VAL A 29 1.595 -2.897 -10.345 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.760 -1.758 -9.772 1.00 0.00 C ATOM 427 CG2 VAL A 29 2.848 -2.325 -10.920 1.00 0.00 C ATOM 0 H VAL A 29 1.985 -5.682 -10.375 1.00 0.00 H new ATOM 0 HA VAL A 29 2.651 -3.477 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 29 1.024 -3.407 -11.121 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.533 -1.041 -10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.170 -2.157 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.318 -1.261 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.595 -1.594 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.422 -1.839 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.443 -3.124 -11.362 1.00 0.00 H new ATOM 437 N LYS A 30 0.651 -4.048 -7.281 1.00 0.00 N ATOM 438 CA LYS A 30 -0.520 -4.249 -6.493 1.00 0.00 C ATOM 439 C LYS A 30 -1.046 -2.905 -6.103 1.00 0.00 C ATOM 440 O LYS A 30 -0.531 -2.276 -5.184 1.00 0.00 O ATOM 441 CB LYS A 30 -0.231 -5.071 -5.238 1.00 0.00 C ATOM 442 CG LYS A 30 0.203 -6.506 -5.494 1.00 0.00 C ATOM 443 CD LYS A 30 0.536 -7.236 -4.192 1.00 0.00 C ATOM 444 CE LYS A 30 -0.639 -7.245 -3.212 1.00 0.00 C ATOM 445 NZ LYS A 30 -0.349 -8.034 -1.995 1.00 0.00 N ATOM 0 H LYS A 30 1.441 -3.659 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.250 -4.806 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.548 -4.569 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.126 -5.084 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.591 -7.039 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.075 -6.512 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.825 -8.262 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.395 -6.759 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.881 -6.221 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.519 -7.655 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.174 -8.011 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.144 -9.018 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.474 -7.628 -1.506 1.00 0.00 H new ATOM 459 N ARG A 31 -1.998 -2.428 -6.837 1.00 0.00 N ATOM 460 CA ARG A 31 -2.605 -1.170 -6.535 1.00 0.00 C ATOM 461 C ARG A 31 -3.656 -1.376 -5.498 1.00 0.00 C ATOM 462 O ARG A 31 -4.693 -1.985 -5.774 1.00 0.00 O ATOM 463 CB ARG A 31 -3.255 -0.534 -7.754 1.00 0.00 C ATOM 464 CG ARG A 31 -2.315 -0.048 -8.834 1.00 0.00 C ATOM 465 CD ARG A 31 -3.112 0.677 -9.901 1.00 0.00 C ATOM 466 NE ARG A 31 -3.909 1.753 -9.299 1.00 0.00 N ATOM 467 CZ ARG A 31 -5.139 2.107 -9.662 1.00 0.00 C ATOM 468 NH1 ARG A 31 -5.700 1.597 -10.761 1.00 0.00 N ATOM 469 NH2 ARG A 31 -5.792 2.994 -8.927 1.00 0.00 N ATOM 0 H ARG A 31 -2.377 -2.896 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.818 -0.503 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.938 -1.259 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.858 0.310 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.566 0.619 -8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.780 -0.890 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.437 1.091 -10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.767 -0.026 -10.416 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.482 2.276 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.185 0.928 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.644 1.877 -11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.351 3.393 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.736 3.278 -9.189 1.00 0.00 H new ATOM 483 N LEU A 32 -3.388 -0.928 -4.320 1.00 0.00 N ATOM 484 CA LEU A 32 -4.348 -1.004 -3.274 1.00 0.00 C ATOM 485 C LEU A 32 -4.237 0.212 -2.413 1.00 0.00 C ATOM 486 O LEU A 32 -3.253 0.422 -1.702 1.00 0.00 O ATOM 487 CB LEU A 32 -4.291 -2.318 -2.432 1.00 0.00 C ATOM 488 CG LEU A 32 -3.082 -2.573 -1.515 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.359 -3.766 -0.636 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.830 -2.821 -2.312 1.00 0.00 C ATOM 0 H LEU A 32 -2.501 -0.500 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.329 -1.036 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.186 -2.348 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.358 -3.155 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.927 -1.683 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.502 -3.946 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.242 -3.572 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.534 -4.644 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.996 -2.997 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.971 -3.695 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.615 -1.951 -2.932 1.00 0.00 H new ATOM 502 N VAL A 33 -5.185 1.049 -2.533 1.00 0.00 N ATOM 503 CA VAL A 33 -5.213 2.217 -1.738 1.00 0.00 C ATOM 504 C VAL A 33 -6.182 1.990 -0.598 1.00 0.00 C ATOM 505 O VAL A 33 -7.330 1.614 -0.812 1.00 0.00 O ATOM 506 CB VAL A 33 -5.543 3.496 -2.575 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.901 3.432 -3.247 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.387 4.764 -1.757 1.00 0.00 C ATOM 0 H VAL A 33 -5.966 0.951 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.221 2.406 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.805 3.527 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.071 4.348 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.932 2.578 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.677 3.324 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.626 5.628 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.064 4.732 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.359 4.844 -1.403 1.00 0.00 H new ATOM 518 N LYS A 34 -5.705 2.136 0.605 1.00 0.00 N ATOM 519 CA LYS A 34 -6.540 1.924 1.738 1.00 0.00 C ATOM 520 C LYS A 34 -7.290 3.181 2.039 1.00 0.00 C ATOM 521 O LYS A 34 -6.760 4.138 2.581 1.00 0.00 O ATOM 522 CB LYS A 34 -5.756 1.409 2.949 1.00 0.00 C ATOM 523 CG LYS A 34 -5.032 0.097 2.666 1.00 0.00 C ATOM 524 CD LYS A 34 -4.367 -0.492 3.904 1.00 0.00 C ATOM 525 CE LYS A 34 -5.392 -0.955 4.937 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.753 -1.654 6.067 1.00 0.00 N ATOM 0 H LYS A 34 -4.744 2.401 0.820 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.257 1.138 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.029 2.162 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.439 1.269 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.743 -0.625 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.276 0.263 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.740 -1.334 3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.711 0.254 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.947 -0.094 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.114 -1.618 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.481 -1.953 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.244 -2.490 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.083 -1.013 6.537 1.00 0.00 H new ATOM 540 N VAL A 35 -8.493 3.174 1.619 1.00 0.00 N ATOM 541 CA VAL A 35 -9.393 4.251 1.753 1.00 0.00 C ATOM 542 C VAL A 35 -10.058 4.184 3.117 1.00 0.00 C ATOM 543 O VAL A 35 -10.501 3.112 3.564 1.00 0.00 O ATOM 544 CB VAL A 35 -10.471 4.177 0.643 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.363 5.391 0.663 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.838 4.004 -0.734 1.00 0.00 C ATOM 0 H VAL A 35 -8.902 2.369 1.144 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.849 5.191 1.658 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.086 3.300 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.108 5.308 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.864 5.458 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.762 6.286 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.621 3.955 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.184 4.850 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.257 3.082 -0.754 1.00 0.00 H new ATOM 556 N LYS A 36 -10.089 5.302 3.782 1.00 0.00 N ATOM 557 CA LYS A 36 -10.719 5.419 5.056 1.00 0.00 C ATOM 558 C LYS A 36 -12.133 5.787 4.808 1.00 0.00 C ATOM 559 O LYS A 36 -12.419 6.873 4.306 1.00 0.00 O ATOM 560 CB LYS A 36 -10.063 6.499 5.911 1.00 0.00 C ATOM 561 CG LYS A 36 -10.638 6.599 7.312 1.00 0.00 C ATOM 562 CD LYS A 36 -9.968 7.693 8.119 1.00 0.00 C ATOM 563 CE LYS A 36 -10.586 7.791 9.498 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.952 8.823 10.338 1.00 0.00 N ATOM 0 H LYS A 36 -9.670 6.169 3.446 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.630 4.476 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.994 6.297 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.174 7.462 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.709 6.795 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.517 5.644 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.901 7.487 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.067 8.647 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.649 8.012 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.506 6.825 9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.415 8.845 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.943 8.601 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.050 9.752 9.880 1.00 0.00 H new ATOM 578 N VAL A 37 -12.989 4.913 5.118 1.00 0.00 N ATOM 579 CA VAL A 37 -14.375 5.101 4.901 1.00 0.00 C ATOM 580 C VAL A 37 -15.123 4.945 6.176 1.00 0.00 C ATOM 581 O VAL A 37 -14.665 4.290 7.093 1.00 0.00 O ATOM 582 CB VAL A 37 -14.946 4.137 3.827 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.573 4.591 2.437 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.453 2.721 4.055 1.00 0.00 C ATOM 0 H VAL A 37 -12.752 4.016 5.543 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.503 6.116 4.524 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.032 4.151 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.986 3.897 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.976 5.588 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.487 4.616 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.867 2.064 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.365 2.701 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.773 2.378 5.039 1.00 0.00 H new ATOM 594 N LEU A 38 -16.223 5.569 6.252 1.00 0.00 N ATOM 595 CA LEU A 38 -17.062 5.448 7.387 1.00 0.00 C ATOM 596 C LEU A 38 -18.385 4.945 6.903 1.00 0.00 C ATOM 597 O LEU A 38 -18.983 5.536 6.005 1.00 0.00 O ATOM 598 CB LEU A 38 -17.150 6.794 8.149 1.00 0.00 C ATOM 599 CG LEU A 38 -17.870 6.796 9.530 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.449 8.016 10.333 1.00 0.00 C ATOM 601 CD2 LEU A 38 -19.395 6.813 9.379 1.00 0.00 C ATOM 0 H LEU A 38 -16.580 6.189 5.525 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.662 4.740 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.135 7.162 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.657 7.512 7.505 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.582 5.880 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.957 8.010 11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.371 7.993 10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.717 8.921 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.858 6.814 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.697 7.708 8.836 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.716 5.929 8.828 1.00 0.00 H new ATOM 613 N LEU A 39 -18.809 3.831 7.434 1.00 0.00 N ATOM 614 CA LEU A 39 -20.042 3.228 7.016 1.00 0.00 C ATOM 615 C LEU A 39 -21.190 4.037 7.563 1.00 0.00 C ATOM 616 O LEU A 39 -21.431 4.024 8.752 1.00 0.00 O ATOM 617 CB LEU A 39 -20.198 1.749 7.482 1.00 0.00 C ATOM 618 CG LEU A 39 -19.104 0.713 7.122 1.00 0.00 C ATOM 619 CD1 LEU A 39 -18.676 0.819 5.686 1.00 0.00 C ATOM 620 CD2 LEU A 39 -17.910 0.782 8.055 1.00 0.00 C ATOM 0 H LEU A 39 -18.313 3.320 8.164 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.039 3.219 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.294 1.758 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.142 1.379 7.082 1.00 0.00 H new ATOM 0 HG LEU A 39 -19.561 -0.267 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.908 0.074 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.534 0.645 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -18.275 1.815 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.173 0.035 7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -17.463 1.775 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.235 0.586 9.077 1.00 0.00 H new ATOM 632 N LYS A 40 -21.899 4.708 6.697 1.00 0.00 N ATOM 633 CA LYS A 40 -23.021 5.574 7.085 1.00 0.00 C ATOM 634 C LYS A 40 -24.172 4.790 7.717 1.00 0.00 C ATOM 635 O LYS A 40 -24.994 5.341 8.444 1.00 0.00 O ATOM 636 CB LYS A 40 -23.482 6.403 5.876 1.00 0.00 C ATOM 637 CG LYS A 40 -23.753 5.587 4.617 1.00 0.00 C ATOM 638 CD LYS A 40 -23.868 6.466 3.365 1.00 0.00 C ATOM 639 CE LYS A 40 -25.062 7.410 3.402 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.339 6.690 3.488 1.00 0.00 N ATOM 0 H LYS A 40 -21.728 4.681 5.692 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.670 6.257 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.390 6.943 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.721 7.151 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.951 4.863 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.675 5.020 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -22.955 7.050 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -23.946 5.826 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.967 8.080 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.058 8.033 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -27.064 7.204 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.226 5.735 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.632 6.621 4.483 1.00 0.00 H new ATOM 654 N GLN A 41 -24.196 3.509 7.457 1.00 0.00 N ATOM 655 CA GLN A 41 -25.217 2.638 7.998 1.00 0.00 C ATOM 656 C GLN A 41 -24.929 2.259 9.454 1.00 0.00 C ATOM 657 O GLN A 41 -25.798 2.368 10.316 1.00 0.00 O ATOM 658 CB GLN A 41 -25.360 1.391 7.130 1.00 0.00 C ATOM 659 CG GLN A 41 -25.739 1.709 5.696 1.00 0.00 C ATOM 660 CD GLN A 41 -25.847 0.494 4.811 1.00 0.00 C ATOM 661 OE1 GLN A 41 -25.185 -0.501 5.012 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.658 0.582 3.814 1.00 0.00 N ATOM 0 H GLN A 41 -23.512 3.037 6.866 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.161 3.184 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -24.420 0.839 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.117 0.737 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.693 2.237 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -24.997 2.388 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -27.201 1.434 3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -26.757 -0.200 3.166 1.00 0.00 H new ATOM 671 N ASP A 42 -23.706 1.875 9.731 1.00 0.00 N ATOM 672 CA ASP A 42 -23.348 1.371 11.068 1.00 0.00 C ATOM 673 C ASP A 42 -22.703 2.447 11.909 1.00 0.00 C ATOM 674 O ASP A 42 -22.629 2.326 13.134 1.00 0.00 O ATOM 675 CB ASP A 42 -22.387 0.185 10.971 1.00 0.00 C ATOM 676 CG ASP A 42 -22.918 -0.953 10.149 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.672 -1.796 10.677 1.00 0.00 O ATOM 678 OD2 ASP A 42 -22.580 -1.030 8.961 1.00 0.00 O ATOM 0 H ASP A 42 -22.934 1.895 9.064 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.276 1.052 11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -21.446 0.525 10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.166 -0.176 11.976 1.00 0.00 H new ATOM 683 N ASN A 43 -22.236 3.492 11.238 1.00 0.00 N ATOM 684 CA ASN A 43 -21.541 4.647 11.842 1.00 0.00 C ATOM 685 C ASN A 43 -20.151 4.276 12.315 1.00 0.00 C ATOM 686 O ASN A 43 -19.567 4.929 13.184 1.00 0.00 O ATOM 687 CB ASN A 43 -22.352 5.325 12.960 1.00 0.00 C ATOM 688 CG ASN A 43 -23.601 6.009 12.449 1.00 0.00 C ATOM 689 OD1 ASN A 43 -23.564 7.159 12.031 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.723 5.351 12.558 1.00 0.00 N ATOM 0 H ASN A 43 -22.328 3.572 10.225 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.440 5.386 11.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.631 4.578 13.704 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.723 6.058 13.465 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.602 5.794 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.721 4.394 12.910 1.00 0.00 H new ATOM 697 N THR A 44 -19.599 3.269 11.699 1.00 0.00 N ATOM 698 CA THR A 44 -18.287 2.804 12.023 1.00 0.00 C ATOM 699 C THR A 44 -17.293 3.232 10.971 1.00 0.00 C ATOM 700 O THR A 44 -17.666 3.504 9.843 1.00 0.00 O ATOM 701 CB THR A 44 -18.295 1.294 12.144 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.187 0.744 11.156 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.712 0.873 13.526 1.00 0.00 C ATOM 0 H THR A 44 -20.054 2.745 10.951 1.00 0.00 H new ATOM 0 HA THR A 44 -17.988 3.242 12.975 1.00 0.00 H new ATOM 0 HB THR A 44 -17.288 0.915 11.971 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.194 -0.233 11.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.711 -0.215 13.591 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.014 1.281 14.257 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.714 1.248 13.734 1.00 0.00 H new ATOM 711 N THR A 45 -16.058 3.320 11.331 1.00 0.00 N ATOM 712 CA THR A 45 -15.044 3.677 10.392 1.00 0.00 C ATOM 713 C THR A 45 -14.337 2.396 9.945 1.00 0.00 C ATOM 714 O THR A 45 -14.352 1.387 10.669 1.00 0.00 O ATOM 715 CB THR A 45 -14.042 4.638 11.031 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.771 5.598 11.823 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.281 5.397 9.959 1.00 0.00 C ATOM 0 H THR A 45 -15.721 3.148 12.278 1.00 0.00 H new ATOM 0 HA THR A 45 -15.490 4.179 9.534 1.00 0.00 H new ATOM 0 HB THR A 45 -13.342 4.068 11.642 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.142 6.222 12.242 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.571 6.077 10.429 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.743 4.691 9.326 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.982 5.968 9.350 1.00 0.00 H new ATOM 725 N GLN A 46 -13.769 2.419 8.780 1.00 0.00 N ATOM 726 CA GLN A 46 -13.100 1.293 8.228 1.00 0.00 C ATOM 727 C GLN A 46 -11.979 1.815 7.341 1.00 0.00 C ATOM 728 O GLN A 46 -12.126 2.858 6.721 1.00 0.00 O ATOM 729 CB GLN A 46 -14.102 0.497 7.381 1.00 0.00 C ATOM 730 CG GLN A 46 -13.801 -0.980 7.282 1.00 0.00 C ATOM 731 CD GLN A 46 -13.852 -1.624 8.646 1.00 0.00 C ATOM 732 OE1 GLN A 46 -12.849 -1.692 9.351 1.00 0.00 O ATOM 733 NE2 GLN A 46 -15.010 -2.085 9.033 1.00 0.00 N ATOM 0 H GLN A 46 -13.760 3.241 8.177 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.695 0.648 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.099 0.625 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.125 0.919 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.522 -1.460 6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.815 -1.127 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.820 -2.010 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.105 -2.521 9.950 1.00 0.00 H new ATOM 742 N LEU A 47 -10.871 1.141 7.311 1.00 0.00 N ATOM 743 CA LEU A 47 -9.780 1.524 6.439 1.00 0.00 C ATOM 744 C LEU A 47 -9.384 0.292 5.649 1.00 0.00 C ATOM 745 O LEU A 47 -8.727 -0.616 6.175 1.00 0.00 O ATOM 746 CB LEU A 47 -8.594 2.062 7.263 1.00 0.00 C ATOM 747 CG LEU A 47 -7.381 2.607 6.485 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.699 3.911 5.765 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.218 2.805 7.409 1.00 0.00 C ATOM 0 H LEU A 47 -10.688 0.315 7.881 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.085 2.323 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.966 2.858 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.245 1.260 7.914 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.124 1.866 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.814 4.257 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.510 3.747 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.001 4.664 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.368 3.190 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.490 3.517 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.949 1.852 7.865 1.00 0.00 H new ATOM 761 N VAL A 48 -9.813 0.238 4.413 1.00 0.00 N ATOM 762 CA VAL A 48 -9.619 -0.938 3.571 1.00 0.00 C ATOM 763 C VAL A 48 -9.210 -0.548 2.169 1.00 0.00 C ATOM 764 O VAL A 48 -9.318 0.602 1.791 1.00 0.00 O ATOM 765 CB VAL A 48 -10.888 -1.840 3.508 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.101 -2.584 4.820 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.115 -1.005 3.175 1.00 0.00 C ATOM 0 H VAL A 48 -10.307 1.002 3.953 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.817 -1.513 4.034 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.736 -2.578 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.994 -3.205 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.236 -3.215 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.226 -1.865 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.993 -1.649 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.257 -0.245 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.975 -0.522 2.208 1.00 0.00 H new ATOM 777 N GLN A 49 -8.780 -1.517 1.407 1.00 0.00 N ATOM 778 CA GLN A 49 -8.247 -1.286 0.069 1.00 0.00 C ATOM 779 C GLN A 49 -9.350 -0.971 -0.945 1.00 0.00 C ATOM 780 O GLN A 49 -10.529 -1.249 -0.710 1.00 0.00 O ATOM 781 CB GLN A 49 -7.451 -2.504 -0.389 1.00 0.00 C ATOM 782 CG GLN A 49 -8.274 -3.779 -0.456 1.00 0.00 C ATOM 783 CD GLN A 49 -7.469 -4.994 -0.844 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.495 -4.897 -1.575 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.876 -6.145 -0.373 1.00 0.00 N ATOM 0 H GLN A 49 -8.785 -2.498 1.688 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.593 -0.415 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.028 -2.302 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.614 -2.657 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.737 -3.955 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.082 -3.643 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.694 -6.187 0.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.375 -7.000 -0.614 1.00 0.00 H new ATOM 794 N ASP A 50 -8.950 -0.449 -2.098 1.00 0.00 N ATOM 795 CA ASP A 50 -9.886 -0.088 -3.177 1.00 0.00 C ATOM 796 C ASP A 50 -10.463 -1.316 -3.859 1.00 0.00 C ATOM 797 O ASP A 50 -11.336 -1.212 -4.703 1.00 0.00 O ATOM 798 CB ASP A 50 -9.234 0.812 -4.218 1.00 0.00 C ATOM 799 CG ASP A 50 -8.114 0.137 -4.956 1.00 0.00 C ATOM 800 OD1 ASP A 50 -7.031 0.002 -4.380 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.321 -0.299 -6.126 1.00 0.00 O ATOM 0 H ASP A 50 -7.972 -0.261 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.698 0.462 -2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.989 1.138 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.852 1.708 -3.728 1.00 0.00 H new ATOM 806 N ASP A 51 -9.975 -2.474 -3.483 1.00 0.00 N ATOM 807 CA ASP A 51 -10.524 -3.739 -3.974 1.00 0.00 C ATOM 808 C ASP A 51 -11.848 -3.953 -3.279 1.00 0.00 C ATOM 809 O ASP A 51 -12.735 -4.621 -3.776 1.00 0.00 O ATOM 810 CB ASP A 51 -9.575 -4.916 -3.677 1.00 0.00 C ATOM 811 CG ASP A 51 -10.091 -6.263 -4.174 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.794 -6.642 -5.324 1.00 0.00 O ATOM 813 OD2 ASP A 51 -10.763 -6.985 -3.417 1.00 0.00 O ATOM 0 H ASP A 51 -9.194 -2.578 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.649 -3.694 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.608 -4.716 -4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.410 -4.975 -2.601 1.00 0.00 H new ATOM 818 N GLN A 52 -11.979 -3.325 -2.134 1.00 0.00 N ATOM 819 CA GLN A 52 -13.182 -3.394 -1.359 1.00 0.00 C ATOM 820 C GLN A 52 -14.081 -2.230 -1.735 1.00 0.00 C ATOM 821 O GLN A 52 -15.296 -2.357 -1.767 1.00 0.00 O ATOM 822 CB GLN A 52 -12.849 -3.310 0.134 1.00 0.00 C ATOM 823 CG GLN A 52 -11.805 -4.309 0.626 1.00 0.00 C ATOM 824 CD GLN A 52 -12.205 -5.759 0.464 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.938 -6.139 -0.449 1.00 0.00 O ATOM 826 NE2 GLN A 52 -11.749 -6.573 1.359 1.00 0.00 N ATOM 0 H GLN A 52 -11.246 -2.750 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.687 -4.339 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.496 -2.303 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.767 -3.458 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.874 -4.139 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.603 -4.116 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.143 -6.226 2.103 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.995 -7.562 1.321 1.00 0.00 H new ATOM 835 N VAL A 53 -13.458 -1.106 -2.043 1.00 0.00 N ATOM 836 CA VAL A 53 -14.183 0.126 -2.355 1.00 0.00 C ATOM 837 C VAL A 53 -14.726 0.144 -3.777 1.00 0.00 C ATOM 838 O VAL A 53 -13.990 0.221 -4.758 1.00 0.00 O ATOM 839 CB VAL A 53 -13.334 1.392 -2.076 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.079 2.661 -2.472 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.973 1.443 -0.614 1.00 0.00 C ATOM 0 H VAL A 53 -12.443 -1.015 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.039 0.143 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.428 1.336 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.455 3.530 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.312 2.629 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.004 2.733 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.376 2.333 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.883 1.477 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.398 0.555 -0.350 1.00 0.00 H new ATOM 851 N LYS A 54 -16.011 0.074 -3.865 1.00 0.00 N ATOM 852 CA LYS A 54 -16.717 0.077 -5.113 1.00 0.00 C ATOM 853 C LYS A 54 -17.503 1.377 -5.248 1.00 0.00 C ATOM 854 O LYS A 54 -18.532 1.582 -4.579 1.00 0.00 O ATOM 855 CB LYS A 54 -17.655 -1.144 -5.206 1.00 0.00 C ATOM 856 CG LYS A 54 -16.960 -2.487 -4.971 1.00 0.00 C ATOM 857 CD LYS A 54 -15.793 -2.680 -5.927 1.00 0.00 C ATOM 858 CE LYS A 54 -15.034 -3.975 -5.660 1.00 0.00 C ATOM 859 NZ LYS A 54 -15.839 -5.183 -5.935 1.00 0.00 N ATOM 0 H LYS A 54 -16.622 0.011 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.001 0.010 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.456 -1.029 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.121 -1.156 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.603 -2.539 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.677 -3.298 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.163 -2.683 -6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.109 -1.836 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.135 -3.996 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.708 -3.991 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.256 -6.031 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.658 -5.208 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.171 -5.162 -6.920 1.00 0.00 H new ATOM 873 N GLY A 55 -16.978 2.263 -6.043 1.00 0.00 N ATOM 874 CA GLY A 55 -17.583 3.540 -6.283 1.00 0.00 C ATOM 875 C GLY A 55 -16.499 4.551 -6.538 1.00 0.00 C ATOM 876 O GLY A 55 -15.384 4.149 -6.877 1.00 0.00 O ATOM 0 H GLY A 55 -16.105 2.116 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.255 3.484 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.184 3.840 -5.425 1.00 0.00 H new ATOM 880 N PRO A 56 -16.762 5.855 -6.388 1.00 0.00 N ATOM 881 CA PRO A 56 -15.745 6.869 -6.584 1.00 0.00 C ATOM 882 C PRO A 56 -14.859 7.028 -5.371 1.00 0.00 C ATOM 883 O PRO A 56 -15.327 7.260 -4.254 1.00 0.00 O ATOM 884 CB PRO A 56 -16.511 8.162 -6.798 1.00 0.00 C ATOM 885 CG PRO A 56 -17.972 7.813 -6.687 1.00 0.00 C ATOM 886 CD PRO A 56 -18.050 6.452 -6.031 1.00 0.00 C ATOM 0 HA PRO A 56 -15.097 6.600 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.232 8.907 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.287 8.589 -7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.503 8.558 -6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -18.441 7.795 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.177 6.529 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.888 5.866 -6.409 1.00 0.00 H new ATOM 894 N LEU A 57 -13.598 6.973 -5.595 1.00 0.00 N ATOM 895 CA LEU A 57 -12.644 7.093 -4.524 1.00 0.00 C ATOM 896 C LEU A 57 -12.336 8.555 -4.351 1.00 0.00 C ATOM 897 O LEU A 57 -11.363 9.076 -4.899 1.00 0.00 O ATOM 898 CB LEU A 57 -11.339 6.318 -4.806 1.00 0.00 C ATOM 899 CG LEU A 57 -11.392 4.774 -4.896 1.00 0.00 C ATOM 900 CD1 LEU A 57 -12.194 4.281 -6.094 1.00 0.00 C ATOM 901 CD2 LEU A 57 -9.990 4.218 -4.952 1.00 0.00 C ATOM 0 H LEU A 57 -13.185 6.844 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.075 6.663 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.932 6.689 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.625 6.578 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.902 4.417 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.197 3.191 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.219 4.646 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.741 4.653 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.032 3.131 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.477 4.613 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.447 4.508 -4.052 1.00 0.00 H new ATOM 913 N ARG A 58 -13.203 9.224 -3.649 1.00 0.00 N ATOM 914 CA ARG A 58 -13.116 10.660 -3.461 1.00 0.00 C ATOM 915 C ARG A 58 -13.462 10.979 -2.044 1.00 0.00 C ATOM 916 O ARG A 58 -14.422 10.429 -1.511 1.00 0.00 O ATOM 917 CB ARG A 58 -14.096 11.397 -4.405 1.00 0.00 C ATOM 918 CG ARG A 58 -13.935 11.086 -5.894 1.00 0.00 C ATOM 919 CD ARG A 58 -12.585 11.520 -6.428 1.00 0.00 C ATOM 920 NE ARG A 58 -12.425 11.169 -7.842 1.00 0.00 N ATOM 921 CZ ARG A 58 -11.630 11.801 -8.704 1.00 0.00 C ATOM 922 NH1 ARG A 58 -10.889 12.833 -8.304 1.00 0.00 N ATOM 923 NH2 ARG A 58 -11.578 11.392 -9.967 1.00 0.00 N ATOM 0 H ARG A 58 -14.001 8.793 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.102 10.989 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.115 11.149 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.974 12.471 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.060 10.015 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.724 11.587 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.474 12.597 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.794 11.050 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.965 10.378 -8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.928 13.143 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.282 13.313 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.144 10.600 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.972 11.870 -10.633 1.00 0.00 H new ATOM 937 N VAL A 59 -12.698 11.846 -1.424 1.00 0.00 N ATOM 938 CA VAL A 59 -12.963 12.209 -0.047 1.00 0.00 C ATOM 939 C VAL A 59 -14.280 12.965 0.032 1.00 0.00 C ATOM 940 O VAL A 59 -14.444 14.020 -0.578 1.00 0.00 O ATOM 941 CB VAL A 59 -11.818 13.037 0.596 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.104 13.296 2.071 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.494 12.310 0.452 1.00 0.00 C ATOM 0 H VAL A 59 -11.894 12.312 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.027 11.285 0.527 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.758 13.993 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.290 13.878 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.037 13.850 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.190 12.345 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.702 12.904 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.554 11.342 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.274 12.161 -0.605 1.00 0.00 H new ATOM 953 N GLY A 60 -15.211 12.395 0.744 1.00 0.00 N ATOM 954 CA GLY A 60 -16.525 12.973 0.867 1.00 0.00 C ATOM 955 C GLY A 60 -17.543 12.304 -0.042 1.00 0.00 C ATOM 956 O GLY A 60 -18.705 12.726 -0.097 1.00 0.00 O ATOM 0 H GLY A 60 -15.084 11.521 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.858 12.892 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.474 14.036 0.630 1.00 0.00 H new ATOM 960 N ALA A 61 -17.127 11.256 -0.747 1.00 0.00 N ATOM 961 CA ALA A 61 -18.031 10.570 -1.674 1.00 0.00 C ATOM 962 C ALA A 61 -18.641 9.347 -1.019 1.00 0.00 C ATOM 963 O ALA A 61 -18.138 8.879 0.005 1.00 0.00 O ATOM 964 CB ALA A 61 -17.309 10.189 -2.959 1.00 0.00 C ATOM 0 H ALA A 61 -16.186 10.866 -0.699 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.836 11.258 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -18.003 9.681 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.929 11.089 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.478 9.524 -2.726 1.00 0.00 H new ATOM 970 N ILE A 62 -19.703 8.828 -1.608 1.00 0.00 N ATOM 971 CA ILE A 62 -20.386 7.658 -1.077 1.00 0.00 C ATOM 972 C ILE A 62 -20.045 6.450 -1.948 1.00 0.00 C ATOM 973 O ILE A 62 -20.237 6.480 -3.168 1.00 0.00 O ATOM 974 CB ILE A 62 -21.941 7.835 -1.062 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.354 9.169 -0.396 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.615 6.650 -0.340 1.00 0.00 C ATOM 977 CD1 ILE A 62 -21.962 9.307 1.061 1.00 0.00 C ATOM 0 H ILE A 62 -20.116 9.201 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.052 7.518 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.279 7.857 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.907 9.991 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.435 9.279 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.696 6.791 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.370 5.722 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.256 6.598 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.295 10.274 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.430 8.511 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.878 9.235 1.155 1.00 0.00 H new ATOM 989 N VAL A 63 -19.543 5.418 -1.336 1.00 0.00 N ATOM 990 CA VAL A 63 -19.164 4.195 -2.025 1.00 0.00 C ATOM 991 C VAL A 63 -19.759 3.005 -1.325 1.00 0.00 C ATOM 992 O VAL A 63 -20.514 3.154 -0.374 1.00 0.00 O ATOM 993 CB VAL A 63 -17.623 3.997 -2.039 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.953 5.038 -2.889 1.00 0.00 C ATOM 995 CG2 VAL A 63 -17.059 4.015 -0.612 1.00 0.00 C ATOM 0 H VAL A 63 -19.378 5.390 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.532 4.281 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.414 3.021 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.875 4.876 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.323 4.966 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.174 6.029 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.979 3.875 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.286 4.972 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.511 3.211 -0.032 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.450 1.848 -1.822 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.747 0.608 -1.163 1.00 0.00 C ATOM 1007 C GLU A 64 -18.436 -0.042 -0.899 1.00 0.00 C ATOM 1008 O GLU A 64 -17.566 -0.003 -1.743 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.608 -0.295 -2.025 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.997 0.240 -2.249 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.836 -0.677 -3.089 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.380 -1.659 -2.565 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -22.978 -0.431 -4.294 1.00 0.00 O ATOM 0 H GLU A 64 -18.974 1.733 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.309 0.790 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.121 -0.436 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.676 -1.276 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.484 0.393 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.934 1.215 -2.733 1.00 0.00 H new ATOM 1020 N THR A 65 -18.251 -0.572 0.246 1.00 0.00 N ATOM 1021 CA THR A 65 -17.008 -1.184 0.544 1.00 0.00 C ATOM 1022 C THR A 65 -17.236 -2.441 1.324 1.00 0.00 C ATOM 1023 O THR A 65 -18.269 -2.600 1.971 1.00 0.00 O ATOM 1024 CB THR A 65 -16.090 -0.225 1.330 1.00 0.00 C ATOM 1025 OG1 THR A 65 -14.792 -0.796 1.497 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.689 0.107 2.689 1.00 0.00 C ATOM 0 H THR A 65 -18.941 -0.597 0.997 1.00 0.00 H new ATOM 0 HA THR A 65 -16.511 -1.429 -0.395 1.00 0.00 H new ATOM 0 HB THR A 65 -15.999 0.697 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.123 -0.081 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.024 0.784 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.659 0.584 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.814 -0.810 3.265 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.301 -3.318 1.266 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.417 -4.551 1.971 1.00 0.00 C ATOM 1036 C ARG A 66 -15.972 -4.330 3.384 1.00 0.00 C ATOM 1037 O ARG A 66 -14.778 -4.137 3.655 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.589 -5.655 1.354 1.00 0.00 C ATOM 1039 CG ARG A 66 -15.895 -7.018 1.951 1.00 0.00 C ATOM 1040 CD ARG A 66 -14.950 -8.111 1.453 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.836 -8.141 -0.012 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.060 -9.204 -0.797 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -15.484 -10.355 -0.280 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.841 -9.114 -2.104 1.00 0.00 N ATOM 0 H ARG A 66 -15.438 -3.207 0.734 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.459 -4.869 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.771 -5.684 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.531 -5.431 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.830 -6.956 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.921 -7.293 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.962 -7.956 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.304 -9.080 1.805 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.561 -7.274 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.642 -10.435 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.651 -11.157 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.504 -8.239 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.010 -9.920 -2.706 1.00 0.00 H new ATOM 1058 N THR A 67 -16.906 -4.348 4.267 1.00 0.00 N ATOM 1059 CA THR A 67 -16.620 -4.147 5.644 1.00 0.00 C ATOM 1060 C THR A 67 -16.113 -5.480 6.241 1.00 0.00 C ATOM 1061 O THR A 67 -16.055 -6.504 5.521 1.00 0.00 O ATOM 1062 CB THR A 67 -17.862 -3.580 6.388 1.00 0.00 C ATOM 1063 OG1 THR A 67 -17.542 -3.249 7.747 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.986 -4.573 6.353 1.00 0.00 C ATOM 0 H THR A 67 -17.892 -4.503 4.056 1.00 0.00 H new ATOM 0 HA THR A 67 -15.835 -3.401 5.766 1.00 0.00 H new ATOM 0 HB THR A 67 -18.174 -2.669 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 67 -18.339 -2.893 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.850 -4.164 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 67 -19.255 -4.781 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 67 -18.671 -5.497 6.839 1.00 0.00 H new ATOM 1072 N SER A 68 -15.770 -5.494 7.514 1.00 0.00 N ATOM 1073 CA SER A 68 -15.196 -6.674 8.160 1.00 0.00 C ATOM 1074 C SER A 68 -16.183 -7.851 8.193 1.00 0.00 C ATOM 1075 O SER A 68 -15.797 -9.004 8.401 1.00 0.00 O ATOM 1076 CB SER A 68 -14.763 -6.307 9.562 1.00 0.00 C ATOM 1077 OG SER A 68 -14.007 -5.102 9.540 1.00 0.00 O ATOM 0 H SER A 68 -15.878 -4.692 8.135 1.00 0.00 H new ATOM 0 HA SER A 68 -14.335 -7.000 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.638 -6.185 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.166 -7.113 9.989 1.00 0.00 H new ATOM 0 HG SER A 68 -13.732 -4.871 10.452 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.448 -7.554 7.968 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.490 -8.574 7.923 1.00 0.00 C ATOM 1085 C ASP A 69 -18.412 -9.394 6.632 1.00 0.00 C ATOM 1086 O ASP A 69 -18.789 -10.563 6.599 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.864 -7.911 8.025 1.00 0.00 C ATOM 1088 CG ASP A 69 -20.992 -8.891 7.864 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -21.344 -9.584 8.848 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.544 -8.992 6.757 1.00 0.00 O ATOM 0 H ASP A 69 -17.787 -6.605 7.811 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.339 -9.249 8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.953 -7.415 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -19.948 -7.138 7.261 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.866 -8.795 5.595 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.790 -9.460 4.319 1.00 0.00 C ATOM 1097 C GLY A 70 -18.775 -8.877 3.331 1.00 0.00 C ATOM 1098 O GLY A 70 -18.637 -9.053 2.123 1.00 0.00 O ATOM 0 H GLY A 70 -17.471 -7.855 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.779 -9.372 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.990 -10.524 4.449 1.00 0.00 H new ATOM 1102 N SER A 71 -19.760 -8.184 3.843 1.00 0.00 N ATOM 1103 CA SER A 71 -20.760 -7.543 3.018 1.00 0.00 C ATOM 1104 C SER A 71 -20.260 -6.173 2.542 1.00 0.00 C ATOM 1105 O SER A 71 -19.382 -5.559 3.187 1.00 0.00 O ATOM 1106 CB SER A 71 -22.044 -7.372 3.832 1.00 0.00 C ATOM 1107 OG SER A 71 -22.470 -8.623 4.370 1.00 0.00 O ATOM 0 H SER A 71 -19.894 -8.046 4.845 1.00 0.00 H new ATOM 0 HA SER A 71 -20.957 -8.163 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.876 -6.661 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.829 -6.956 3.200 1.00 0.00 H new ATOM 0 HG SER A 71 -21.874 -8.884 5.103 1.00 0.00 H new ATOM 1113 N PHE A 72 -20.783 -5.713 1.425 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.477 -4.399 0.938 1.00 0.00 C ATOM 1115 C PHE A 72 -21.472 -3.433 1.526 1.00 0.00 C ATOM 1116 O PHE A 72 -22.673 -3.510 1.260 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.476 -4.333 -0.595 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.339 -5.074 -1.247 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -18.127 -4.442 -1.469 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -19.482 -6.393 -1.643 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -17.076 -5.107 -2.071 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -18.437 -7.063 -2.246 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.233 -6.420 -2.461 1.00 0.00 C ATOM 0 H PHE A 72 -21.428 -6.241 0.837 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.467 -4.131 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.418 -4.738 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.436 -3.288 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -18.001 -3.413 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.420 -6.902 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.136 -4.601 -2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.560 -8.092 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.416 -6.945 -2.934 1.00 0.00 H new ATOM 1133 N GLN A 73 -20.967 -2.555 2.317 1.00 0.00 N ATOM 1134 CA GLN A 73 -21.740 -1.621 3.067 1.00 0.00 C ATOM 1135 C GLN A 73 -21.512 -0.253 2.438 1.00 0.00 C ATOM 1136 O GLN A 73 -20.394 0.014 1.965 1.00 0.00 O ATOM 1137 CB GLN A 73 -21.178 -1.625 4.489 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.176 -1.378 5.595 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.034 -2.602 5.897 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.322 -3.435 5.030 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -23.421 -2.738 7.120 1.00 0.00 N ATOM 0 H GLN A 73 -19.963 -2.461 2.468 1.00 0.00 H new ATOM 0 HA GLN A 73 -22.803 -1.862 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -20.699 -2.588 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.399 -0.865 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -21.644 -1.080 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.823 -0.546 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.169 -2.036 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.979 -3.548 7.391 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.525 0.599 2.391 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.330 1.919 1.812 1.00 0.00 C ATOM 1152 C GLU A 74 -21.605 2.816 2.821 1.00 0.00 C ATOM 1153 O GLU A 74 -21.906 2.802 4.035 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.645 2.551 1.295 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.640 2.920 2.365 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.945 3.441 1.813 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.823 2.621 1.479 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -26.135 4.672 1.734 1.00 0.00 O ATOM 0 H GLU A 74 -23.466 0.408 2.736 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.704 1.813 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.400 3.447 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.119 1.853 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -24.839 2.045 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -24.200 3.677 3.015 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.652 3.560 2.340 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.787 4.339 3.199 1.00 0.00 C ATOM 1167 C ALA A 75 -19.384 5.650 2.573 1.00 0.00 C ATOM 1168 O ALA A 75 -19.596 5.859 1.390 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.545 3.539 3.498 1.00 0.00 C ATOM 0 H ALA A 75 -20.447 3.649 1.345 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.342 4.563 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.886 4.118 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.822 2.611 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.028 3.309 2.567 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.802 6.521 3.377 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.272 7.808 2.875 1.00 0.00 C ATOM 1177 C ILE A 76 -16.761 7.764 2.998 1.00 0.00 C ATOM 1178 O ILE A 76 -16.252 7.197 3.955 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.707 9.095 3.676 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.168 9.082 4.150 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.456 10.350 2.835 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.386 8.351 5.461 1.00 0.00 C ATOM 0 H ILE A 76 -18.677 6.376 4.379 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.667 7.898 1.863 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.092 9.101 4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.513 10.110 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.785 8.618 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.760 11.232 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.395 10.421 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -19.034 10.291 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.443 8.387 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.074 7.312 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.798 8.828 6.246 1.00 0.00 H new ATOM 1194 N ILE A 77 -16.052 8.353 2.060 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.595 8.422 2.141 1.00 0.00 C ATOM 1196 C ILE A 77 -14.172 9.603 3.014 1.00 0.00 C ATOM 1197 O ILE A 77 -14.650 10.717 2.819 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.882 8.559 0.746 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -14.117 7.357 -0.175 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.385 8.778 0.910 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.489 7.268 -0.755 1.00 0.00 C ATOM 0 H ILE A 77 -16.452 8.792 1.231 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.283 7.472 2.575 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.334 9.431 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.395 7.397 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.915 6.444 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.921 8.869 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.211 9.691 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.949 7.931 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.558 6.386 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.220 7.193 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.692 8.160 -1.347 1.00 0.00 H new ATOM 1213 N SER A 78 -13.312 9.356 3.969 1.00 0.00 N ATOM 1214 CA SER A 78 -12.755 10.396 4.804 1.00 0.00 C ATOM 1215 C SER A 78 -11.254 10.596 4.506 1.00 0.00 C ATOM 1216 O SER A 78 -10.692 11.644 4.816 1.00 0.00 O ATOM 1217 CB SER A 78 -12.937 10.038 6.280 1.00 0.00 C ATOM 1218 OG SER A 78 -14.306 9.816 6.597 1.00 0.00 O ATOM 0 H SER A 78 -12.974 8.420 4.193 1.00 0.00 H new ATOM 0 HA SER A 78 -13.283 11.324 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.359 9.144 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.544 10.842 6.902 1.00 0.00 H new ATOM 0 HG SER A 78 -14.389 9.588 7.546 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.620 9.605 3.889 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.179 9.655 3.624 1.00 0.00 C ATOM 1226 C LYS A 79 -8.809 8.533 2.672 1.00 0.00 C ATOM 1227 O LYS A 79 -9.566 7.593 2.524 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.384 9.416 4.936 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.901 9.712 4.820 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.155 9.324 6.074 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.673 9.594 5.923 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.091 8.871 4.764 1.00 0.00 N ATOM 0 H LYS A 79 -11.078 8.755 3.561 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.940 10.632 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.808 10.038 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.514 8.379 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.487 9.172 3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.756 10.774 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.547 9.884 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.317 8.267 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.510 10.665 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.155 9.295 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.054 8.944 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.368 7.870 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.442 9.292 3.880 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.691 8.658 2.012 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.101 7.564 1.282 1.00 0.00 C ATOM 1248 C LEU A 80 -5.651 7.431 1.741 1.00 0.00 C ATOM 1249 O LEU A 80 -4.982 8.436 2.023 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.144 7.714 -0.264 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.517 7.853 -0.972 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -9.161 9.206 -0.743 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.374 7.585 -2.457 1.00 0.00 C ATOM 0 H LEU A 80 -7.158 9.526 1.964 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.694 6.676 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.550 8.590 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.640 6.847 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.177 7.108 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.119 9.246 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.320 9.357 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.508 9.990 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.346 7.686 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.677 8.302 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.997 6.574 -2.610 1.00 0.00 H new ATOM 1265 N THR A 81 -5.203 6.231 1.896 1.00 0.00 N ATOM 1266 CA THR A 81 -3.851 5.943 2.295 1.00 0.00 C ATOM 1267 C THR A 81 -3.221 4.986 1.278 1.00 0.00 C ATOM 1268 O THR A 81 -3.697 3.865 1.109 1.00 0.00 O ATOM 1269 CB THR A 81 -3.865 5.291 3.697 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.507 6.185 4.639 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.458 4.970 4.172 1.00 0.00 C ATOM 0 H THR A 81 -5.773 5.398 1.747 1.00 0.00 H new ATOM 0 HA THR A 81 -3.267 6.863 2.332 1.00 0.00 H new ATOM 0 HB THR A 81 -4.421 4.356 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.518 5.771 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.503 4.513 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.987 4.278 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.873 5.888 4.223 1.00 0.00 H new ATOM 1301 N SER A 84 -0.085 0.799 -2.084 1.00 0.00 N ATOM 1302 CA SER A 84 0.263 0.137 -3.311 1.00 0.00 C ATOM 1303 C SER A 84 1.650 -0.467 -3.270 1.00 0.00 C ATOM 1304 O SER A 84 2.653 0.211 -3.034 1.00 0.00 O ATOM 1305 CB SER A 84 0.105 1.093 -4.473 1.00 0.00 C ATOM 1306 OG SER A 84 -1.203 1.650 -4.465 1.00 0.00 O ATOM 0 HA SER A 84 -0.424 -0.699 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.849 1.887 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.281 0.570 -5.413 1.00 0.00 H new ATOM 0 HG SER A 84 -1.545 1.668 -3.547 1.00 0.00 H new ATOM 1312 N TRP A 85 1.684 -1.739 -3.486 1.00 0.00 N ATOM 1313 CA TRP A 85 2.892 -2.486 -3.442 1.00 0.00 C ATOM 1314 C TRP A 85 3.464 -2.645 -4.821 1.00 0.00 C ATOM 1315 O TRP A 85 2.834 -3.231 -5.714 1.00 0.00 O ATOM 1316 CB TRP A 85 2.684 -3.863 -2.802 1.00 0.00 C ATOM 1317 CG TRP A 85 2.319 -3.838 -1.353 1.00 0.00 C ATOM 1318 CD1 TRP A 85 1.169 -4.298 -0.795 1.00 0.00 C ATOM 1319 CD2 TRP A 85 3.111 -3.326 -0.278 1.00 0.00 C ATOM 1320 NE1 TRP A 85 1.202 -4.123 0.563 1.00 0.00 N ATOM 1321 CE2 TRP A 85 2.381 -3.524 0.907 1.00 0.00 C ATOM 1322 CE3 TRP A 85 4.367 -2.727 -0.203 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 2.865 -3.144 2.149 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 4.846 -2.347 1.030 1.00 0.00 C ATOM 1325 CH2 TRP A 85 4.099 -2.558 2.191 1.00 0.00 C ATOM 0 H TRP A 85 0.858 -2.297 -3.702 1.00 0.00 H new ATOM 0 HA TRP A 85 3.596 -1.929 -2.823 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.900 -4.387 -3.350 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.599 -4.444 -2.921 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.348 -4.738 -1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 85 0.465 -4.396 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.953 -2.564 -1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.289 -3.305 3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 5.816 -1.878 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 85 4.506 -2.251 3.143 1.00 0.00 H new ATOM 1336 N TYR A 86 4.620 -2.100 -5.009 1.00 0.00 N ATOM 1337 CA TYR A 86 5.333 -2.240 -6.233 1.00 0.00 C ATOM 1338 C TYR A 86 6.448 -3.198 -5.986 1.00 0.00 C ATOM 1339 O TYR A 86 7.422 -2.891 -5.277 1.00 0.00 O ATOM 1340 CB TYR A 86 5.848 -0.884 -6.730 1.00 0.00 C ATOM 1341 CG TYR A 86 4.730 0.108 -6.913 1.00 0.00 C ATOM 1342 CD1 TYR A 86 4.024 0.188 -8.107 1.00 0.00 C ATOM 1343 CD2 TYR A 86 4.347 0.938 -5.870 1.00 0.00 C ATOM 1344 CE1 TYR A 86 2.984 1.058 -8.244 1.00 0.00 C ATOM 1345 CE2 TYR A 86 3.298 1.803 -6.005 1.00 0.00 C ATOM 1346 CZ TYR A 86 2.623 1.860 -7.192 1.00 0.00 C ATOM 1347 OH TYR A 86 1.575 2.702 -7.331 1.00 0.00 O ATOM 0 H TYR A 86 5.101 -1.538 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 86 4.680 -2.621 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.572 -0.488 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.372 -1.019 -7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.302 -0.446 -8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.887 0.900 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.446 1.116 -9.179 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.005 2.436 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 86 1.782 3.556 -6.897 1.00 0.00 H new ATOM 1357 N THR A 87 6.271 -4.375 -6.478 1.00 0.00 N ATOM 1358 CA THR A 87 7.204 -5.403 -6.315 1.00 0.00 C ATOM 1359 C THR A 87 8.240 -5.241 -7.391 1.00 0.00 C ATOM 1360 O THR A 87 7.982 -5.504 -8.569 1.00 0.00 O ATOM 1361 CB THR A 87 6.501 -6.745 -6.445 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.307 -6.727 -5.635 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.400 -7.863 -5.978 1.00 0.00 C ATOM 0 H THR A 87 5.447 -4.643 -7.017 1.00 0.00 H new ATOM 0 HA THR A 87 7.675 -5.361 -5.333 1.00 0.00 H new ATOM 0 HB THR A 87 6.248 -6.914 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.846 -7.588 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.879 -8.815 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.306 -7.879 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.666 -7.704 -4.933 1.00 0.00 H new ATOM 1371 N VAL A 88 9.360 -4.752 -7.004 1.00 0.00 N ATOM 1372 CA VAL A 88 10.409 -4.448 -7.908 1.00 0.00 C ATOM 1373 C VAL A 88 11.547 -5.432 -7.752 1.00 0.00 C ATOM 1374 O VAL A 88 11.857 -5.874 -6.645 1.00 0.00 O ATOM 1375 CB VAL A 88 10.901 -2.989 -7.726 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.815 -2.016 -8.114 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.297 -2.734 -6.298 1.00 0.00 C ATOM 0 H VAL A 88 9.579 -4.547 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 88 10.019 -4.538 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 88 11.768 -2.847 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.176 -0.996 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.543 -2.171 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.940 -2.177 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.639 -1.704 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.438 -2.899 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.101 -3.414 -6.017 1.00 0.00 H new ATOM 1387 N VAL A 89 12.128 -5.780 -8.846 1.00 0.00 N ATOM 1388 CA VAL A 89 13.194 -6.736 -8.887 1.00 0.00 C ATOM 1389 C VAL A 89 14.538 -6.030 -8.994 1.00 0.00 C ATOM 1390 O VAL A 89 14.757 -5.179 -9.876 1.00 0.00 O ATOM 1391 CB VAL A 89 12.999 -7.797 -10.033 1.00 0.00 C ATOM 1392 CG1 VAL A 89 12.932 -7.157 -11.420 1.00 0.00 C ATOM 1393 CG2 VAL A 89 14.075 -8.876 -9.983 1.00 0.00 C ATOM 0 H VAL A 89 11.875 -5.404 -9.760 1.00 0.00 H new ATOM 0 HA VAL A 89 13.176 -7.292 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 89 12.034 -8.270 -9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.797 -7.934 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.093 -6.463 -11.460 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.859 -6.618 -11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.910 -9.592 -10.788 1.00 0.00 H new ATOM 0 HG22 VAL A 89 15.056 -8.417 -10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.029 -9.392 -9.024 1.00 0.00 H new ATOM 1403 N PHE A 90 15.389 -6.332 -8.062 1.00 0.00 N ATOM 1404 CA PHE A 90 16.721 -5.784 -8.003 1.00 0.00 C ATOM 1405 C PHE A 90 17.659 -6.617 -8.860 1.00 0.00 C ATOM 1406 O PHE A 90 17.252 -7.641 -9.421 1.00 0.00 O ATOM 1407 CB PHE A 90 17.216 -5.761 -6.558 1.00 0.00 C ATOM 1408 CG PHE A 90 16.565 -4.738 -5.662 1.00 0.00 C ATOM 1409 CD1 PHE A 90 15.191 -4.689 -5.497 1.00 0.00 C ATOM 1410 CD2 PHE A 90 17.347 -3.829 -4.974 1.00 0.00 C ATOM 1411 CE1 PHE A 90 14.616 -3.755 -4.666 1.00 0.00 C ATOM 1412 CE2 PHE A 90 16.776 -2.896 -4.138 1.00 0.00 C ATOM 1413 CZ PHE A 90 15.410 -2.861 -3.982 1.00 0.00 C ATOM 0 H PHE A 90 15.178 -6.979 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 90 16.702 -4.763 -8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 90 17.061 -6.749 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 90 18.291 -5.581 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.564 -5.391 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 90 18.420 -3.851 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 90 13.543 -3.723 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 90 17.400 -2.193 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.960 -2.133 -3.323 1.00 0.00 H new ATOM 1423 N ASP A 91 18.923 -6.235 -8.903 1.00 0.00 N ATOM 1424 CA ASP A 91 19.910 -6.904 -9.764 1.00 0.00 C ATOM 1425 C ASP A 91 20.191 -8.314 -9.268 1.00 0.00 C ATOM 1426 O ASP A 91 20.525 -9.206 -10.045 1.00 0.00 O ATOM 1427 CB ASP A 91 21.208 -6.101 -9.835 1.00 0.00 C ATOM 1428 CG ASP A 91 22.164 -6.623 -10.882 1.00 0.00 C ATOM 1429 OD1 ASP A 91 22.085 -6.156 -12.055 1.00 0.00 O ATOM 1430 OD2 ASP A 91 23.021 -7.487 -10.564 1.00 0.00 O ATOM 0 H ASP A 91 19.301 -5.463 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 91 19.489 -6.966 -10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 91 20.973 -5.059 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 91 21.697 -6.122 -8.861 1.00 0.00 H new ATOM 1435 N ASP A 92 20.000 -8.516 -7.972 1.00 0.00 N ATOM 1436 CA ASP A 92 20.174 -9.835 -7.339 1.00 0.00 C ATOM 1437 C ASP A 92 19.102 -10.808 -7.779 1.00 0.00 C ATOM 1438 O ASP A 92 19.202 -12.001 -7.526 1.00 0.00 O ATOM 1439 CB ASP A 92 20.125 -9.755 -5.804 1.00 0.00 C ATOM 1440 CG ASP A 92 21.280 -9.027 -5.179 1.00 0.00 C ATOM 1441 OD1 ASP A 92 22.345 -9.630 -4.989 1.00 0.00 O ATOM 1442 OD2 ASP A 92 21.120 -7.841 -4.816 1.00 0.00 O ATOM 0 H ASP A 92 19.721 -7.780 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 92 21.157 -10.183 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 92 19.199 -9.262 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 92 20.090 -10.767 -5.401 1.00 0.00 H new ATOM 1447 N GLY A 93 18.071 -10.301 -8.433 1.00 0.00 N ATOM 1448 CA GLY A 93 16.963 -11.137 -8.813 1.00 0.00 C ATOM 1449 C GLY A 93 15.986 -11.232 -7.678 1.00 0.00 C ATOM 1450 O GLY A 93 15.097 -12.090 -7.662 1.00 0.00 O ATOM 0 H GLY A 93 17.985 -9.322 -8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.471 -10.726 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.321 -12.131 -9.081 1.00 0.00 H new ATOM 1454 N ASP A 94 16.156 -10.346 -6.730 1.00 0.00 N ATOM 1455 CA ASP A 94 15.322 -10.286 -5.563 1.00 0.00 C ATOM 1456 C ASP A 94 14.240 -9.313 -5.790 1.00 0.00 C ATOM 1457 O ASP A 94 14.483 -8.198 -6.267 1.00 0.00 O ATOM 1458 CB ASP A 94 16.113 -9.881 -4.325 1.00 0.00 C ATOM 1459 CG ASP A 94 15.241 -9.689 -3.088 1.00 0.00 C ATOM 1460 OD1 ASP A 94 14.776 -10.687 -2.517 1.00 0.00 O ATOM 1461 OD2 ASP A 94 15.035 -8.531 -2.639 1.00 0.00 O ATOM 0 H ASP A 94 16.889 -9.637 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 94 14.911 -11.281 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.864 -10.643 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.648 -8.954 -4.531 1.00 0.00 H new ATOM 1466 N GLU A 95 13.074 -9.715 -5.496 1.00 0.00 N ATOM 1467 CA GLU A 95 11.955 -8.863 -5.633 1.00 0.00 C ATOM 1468 C GLU A 95 11.562 -8.353 -4.271 1.00 0.00 C ATOM 1469 O GLU A 95 11.368 -9.125 -3.327 1.00 0.00 O ATOM 1470 CB GLU A 95 10.797 -9.565 -6.360 1.00 0.00 C ATOM 1471 CG GLU A 95 10.341 -10.866 -5.723 1.00 0.00 C ATOM 1472 CD GLU A 95 9.166 -11.491 -6.430 1.00 0.00 C ATOM 1473 OE1 GLU A 95 9.363 -12.201 -7.440 1.00 0.00 O ATOM 1474 OE2 GLU A 95 8.018 -11.309 -5.980 1.00 0.00 O ATOM 0 H GLU A 95 12.859 -10.650 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 95 12.218 -8.010 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.948 -8.882 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.100 -9.766 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.172 -11.572 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.074 -10.680 -4.683 1.00 0.00 H new ATOM 1481 N ARG A 96 11.457 -7.081 -4.170 1.00 0.00 N ATOM 1482 CA ARG A 96 11.156 -6.421 -2.941 1.00 0.00 C ATOM 1483 C ARG A 96 9.922 -5.614 -3.218 1.00 0.00 C ATOM 1484 O ARG A 96 9.811 -5.030 -4.292 1.00 0.00 O ATOM 1485 CB ARG A 96 12.305 -5.477 -2.626 1.00 0.00 C ATOM 1486 CG ARG A 96 12.501 -5.077 -1.170 1.00 0.00 C ATOM 1487 CD ARG A 96 13.077 -6.224 -0.336 1.00 0.00 C ATOM 1488 NE ARG A 96 12.074 -7.202 0.127 1.00 0.00 N ATOM 1489 CZ ARG A 96 12.175 -8.544 -0.004 1.00 0.00 C ATOM 1490 NH1 ARG A 96 13.011 -9.080 -0.880 1.00 0.00 N ATOM 1491 NH2 ARG A 96 11.396 -9.340 0.717 1.00 0.00 N ATOM 0 H ARG A 96 11.580 -6.445 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 96 11.013 -7.111 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.228 -5.940 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.164 -4.567 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.169 -4.218 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.546 -4.765 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.829 -6.745 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.587 -5.806 0.532 1.00 0.00 H new ATOM 0 HE ARG A 96 11.238 -6.837 0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.589 -8.479 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.077 -10.094 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.722 -8.939 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.471 -10.352 0.619 1.00 0.00 H new ATOM 1505 N THR A 97 8.998 -5.571 -2.328 1.00 0.00 N ATOM 1506 CA THR A 97 7.818 -4.838 -2.621 1.00 0.00 C ATOM 1507 C THR A 97 7.695 -3.618 -1.711 1.00 0.00 C ATOM 1508 O THR A 97 7.567 -3.720 -0.493 1.00 0.00 O ATOM 1509 CB THR A 97 6.532 -5.744 -2.675 1.00 0.00 C ATOM 1510 OG1 THR A 97 5.490 -5.066 -3.361 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.026 -6.156 -1.297 1.00 0.00 C ATOM 0 H THR A 97 9.030 -6.021 -1.413 1.00 0.00 H new ATOM 0 HA THR A 97 7.906 -4.451 -3.636 1.00 0.00 H new ATOM 0 HB THR A 97 6.821 -6.653 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.287 -5.538 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.138 -6.779 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.802 -6.719 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.776 -5.266 -0.720 1.00 0.00 H new ATOM 1519 N LEU A 98 7.793 -2.476 -2.310 1.00 0.00 N ATOM 1520 CA LEU A 98 7.743 -1.220 -1.596 1.00 0.00 C ATOM 1521 C LEU A 98 6.710 -0.307 -2.201 1.00 0.00 C ATOM 1522 O LEU A 98 6.136 -0.627 -3.236 1.00 0.00 O ATOM 1523 CB LEU A 98 9.133 -0.528 -1.496 1.00 0.00 C ATOM 1524 CG LEU A 98 10.020 -0.493 -2.747 1.00 0.00 C ATOM 1525 CD1 LEU A 98 11.011 0.629 -2.606 1.00 0.00 C ATOM 1526 CD2 LEU A 98 10.797 -1.800 -2.872 1.00 0.00 C ATOM 0 H LEU A 98 7.911 -2.377 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 98 7.445 -1.445 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.970 0.501 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.695 -1.023 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 98 9.392 -0.351 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.648 0.665 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.478 1.574 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 98 11.626 0.462 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.424 -1.767 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.425 -1.936 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.098 -2.633 -2.951 1.00 0.00 H new ATOM 1538 N ARG A 99 6.453 0.802 -1.552 1.00 0.00 N ATOM 1539 CA ARG A 99 5.433 1.726 -2.012 1.00 0.00 C ATOM 1540 C ARG A 99 6.022 2.890 -2.796 1.00 0.00 C ATOM 1541 O ARG A 99 7.243 3.067 -2.842 1.00 0.00 O ATOM 1542 CB ARG A 99 4.581 2.209 -0.847 1.00 0.00 C ATOM 1543 CG ARG A 99 3.826 1.085 -0.176 1.00 0.00 C ATOM 1544 CD ARG A 99 3.019 1.569 0.992 1.00 0.00 C ATOM 1545 NE ARG A 99 2.280 0.468 1.621 1.00 0.00 N ATOM 1546 CZ ARG A 99 1.835 0.479 2.884 1.00 0.00 C ATOM 1547 NH1 ARG A 99 2.034 1.544 3.646 1.00 0.00 N ATOM 1548 NH2 ARG A 99 1.175 -0.562 3.371 1.00 0.00 N ATOM 0 H ARG A 99 6.935 1.092 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 99 4.787 1.184 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.220 2.702 -0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.872 2.956 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.165 0.609 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.531 0.325 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.678 2.033 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.320 2.337 0.661 1.00 0.00 H new ATOM 0 HE ARG A 99 2.093 -0.362 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.526 2.355 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.695 1.553 4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.003 -1.378 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.839 -0.548 4.334 1.00 0.00 H new ATOM 1562 N ARG A 100 5.136 3.699 -3.367 1.00 0.00 N ATOM 1563 CA ARG A 100 5.482 4.800 -4.277 1.00 0.00 C ATOM 1564 C ARG A 100 6.384 5.828 -3.588 1.00 0.00 C ATOM 1565 O ARG A 100 7.352 6.300 -4.176 1.00 0.00 O ATOM 1566 CB ARG A 100 4.166 5.432 -4.794 1.00 0.00 C ATOM 1567 CG ARG A 100 4.209 6.310 -6.073 1.00 0.00 C ATOM 1568 CD ARG A 100 4.799 7.714 -5.897 1.00 0.00 C ATOM 1569 NE ARG A 100 6.257 7.786 -6.104 1.00 0.00 N ATOM 1570 CZ ARG A 100 6.856 8.545 -7.045 1.00 0.00 C ATOM 1571 NH1 ARG A 100 6.124 9.152 -7.982 1.00 0.00 N ATOM 1572 NH2 ARG A 100 8.185 8.662 -7.066 1.00 0.00 N ATOM 0 H ARG A 100 4.132 3.610 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 100 6.053 4.420 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.459 4.622 -4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.754 6.041 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.789 5.785 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.194 6.408 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.310 8.392 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.568 8.070 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 100 6.853 7.225 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.110 9.042 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.579 9.725 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.751 8.177 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.635 9.236 -7.779 1.00 0.00 H new ATOM 1586 N THR A 101 6.113 6.119 -2.339 1.00 0.00 N ATOM 1587 CA THR A 101 6.890 7.101 -1.578 1.00 0.00 C ATOM 1588 C THR A 101 8.295 6.591 -1.199 1.00 0.00 C ATOM 1589 O THR A 101 9.070 7.292 -0.543 1.00 0.00 O ATOM 1590 CB THR A 101 6.125 7.560 -0.323 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.517 6.422 0.322 1.00 0.00 O ATOM 1592 CG2 THR A 101 5.060 8.587 -0.674 1.00 0.00 C ATOM 0 H THR A 101 5.353 5.690 -1.811 1.00 0.00 H new ATOM 0 HA THR A 101 7.031 7.957 -2.238 1.00 0.00 H new ATOM 0 HB THR A 101 6.836 8.028 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.033 6.719 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.536 8.892 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 101 5.530 9.457 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.349 8.149 -1.374 1.00 0.00 H new ATOM 1600 N SER A 102 8.610 5.384 -1.612 1.00 0.00 N ATOM 1601 CA SER A 102 9.894 4.810 -1.384 1.00 0.00 C ATOM 1602 C SER A 102 10.580 4.577 -2.750 1.00 0.00 C ATOM 1603 O SER A 102 11.674 3.981 -2.833 1.00 0.00 O ATOM 1604 CB SER A 102 9.716 3.493 -0.603 1.00 0.00 C ATOM 1605 OG SER A 102 10.957 2.913 -0.239 1.00 0.00 O ATOM 0 H SER A 102 7.967 4.776 -2.120 1.00 0.00 H new ATOM 0 HA SER A 102 10.525 5.473 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.128 3.682 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.151 2.786 -1.211 1.00 0.00 H new ATOM 0 HG SER A 102 10.797 2.082 0.255 1.00 0.00 H new ATOM 1611 N LEU A 103 9.942 5.080 -3.806 1.00 0.00 N ATOM 1612 CA LEU A 103 10.418 4.917 -5.164 1.00 0.00 C ATOM 1613 C LEU A 103 10.913 6.239 -5.717 1.00 0.00 C ATOM 1614 O LEU A 103 10.230 7.269 -5.613 1.00 0.00 O ATOM 1615 CB LEU A 103 9.314 4.350 -6.069 1.00 0.00 C ATOM 1616 CG LEU A 103 8.829 2.930 -5.755 1.00 0.00 C ATOM 1617 CD1 LEU A 103 7.731 2.525 -6.717 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.977 1.937 -5.831 1.00 0.00 C ATOM 0 H LEU A 103 9.076 5.614 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 103 11.247 4.209 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.456 5.021 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.675 4.367 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 103 8.433 2.924 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.396 1.515 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.893 3.216 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.113 2.553 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.608 0.937 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.402 1.948 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.745 2.213 -5.109 1.00 0.00 H new ATOM 1630 N CYS A 104 12.070 6.198 -6.318 1.00 0.00 N ATOM 1631 CA CYS A 104 12.720 7.374 -6.843 1.00 0.00 C ATOM 1632 C CYS A 104 12.440 7.535 -8.332 1.00 0.00 C ATOM 1633 O CYS A 104 11.860 8.544 -8.752 1.00 0.00 O ATOM 1634 CB CYS A 104 14.230 7.265 -6.572 1.00 0.00 C ATOM 1635 SG CYS A 104 15.265 8.528 -7.355 1.00 0.00 S ATOM 0 H CYS A 104 12.598 5.337 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 104 12.325 8.260 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 104 14.391 7.307 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 104 14.570 6.285 -6.907 1.00 0.00 H new ATOM 0 HG CYS A 104 16.491 8.403 -6.940 1.00 0.00 H new