USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 154:sc= 0.619 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.0994 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -169:sc= 0.837 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 15 TYR OH : rot -150:sc= 1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 23 TYR OH : rot 44:sc= 1.23 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 29 SER OG : rot 84:sc= 1.27 USER MOD Single : A 30 MET CE :methyl 159:sc= -0.166 (180deg=-0.716) USER MOD Single : A 51 GLN : amide:sc= -0.0372 K(o=-0.037,f=-0.72) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.142 USER MOD Single : A 56 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 58 SER OG : rot 180:sc=-4.62e-05 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.116 (180deg=-0.698) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 11.344 -6.967 -7.629 1.00 0.00 N ATOM 89 CA SER A 7 12.279 -7.235 -6.550 1.00 0.00 C ATOM 90 C SER A 7 11.650 -8.185 -5.532 1.00 0.00 C ATOM 91 O SER A 7 11.863 -9.396 -5.596 1.00 0.00 O ATOM 92 CB SER A 7 12.732 -5.928 -5.887 1.00 0.00 C ATOM 93 OG SER A 7 13.758 -6.153 -4.932 1.00 0.00 O ATOM 0 HA SER A 7 13.164 -7.718 -6.964 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.090 -5.238 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.880 -5.452 -5.401 1.00 0.00 H new ATOM 0 HG SER A 7 14.024 -5.300 -4.530 1.00 0.00 H new ATOM 99 N ARG A 8 10.854 -7.658 -4.610 1.00 0.00 N ATOM 100 CA ARG A 8 10.234 -8.489 -3.595 1.00 0.00 C ATOM 101 C ARG A 8 8.739 -8.224 -3.522 1.00 0.00 C ATOM 102 O ARG A 8 8.194 -7.440 -4.301 1.00 0.00 O ATOM 103 CB ARG A 8 10.881 -8.232 -2.235 1.00 0.00 C ATOM 104 CG ARG A 8 12.379 -8.453 -2.238 1.00 0.00 C ATOM 105 CD ARG A 8 13.012 -8.072 -0.910 1.00 0.00 C ATOM 106 NE ARG A 8 14.471 -8.001 -1.005 1.00 0.00 N ATOM 107 CZ ARG A 8 15.302 -8.359 -0.027 1.00 0.00 C ATOM 108 NH1 ARG A 8 14.827 -8.883 1.097 1.00 0.00 N ATOM 109 NH2 ARG A 8 16.610 -8.202 -0.181 1.00 0.00 N ATOM 0 H ARG A 8 10.626 -6.666 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 8 10.385 -9.534 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.672 -7.207 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.425 -8.887 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.591 -9.500 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.831 -7.865 -3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.621 -7.108 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.732 -8.802 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 8 14.877 -7.656 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.822 -9.013 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.467 -9.156 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.978 -7.808 -1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.248 -8.475 0.566 1.00 0.00 H new ATOM 123 N SER A 9 8.090 -8.874 -2.577 1.00 0.00 N ATOM 124 CA SER A 9 6.653 -8.743 -2.408 1.00 0.00 C ATOM 125 C SER A 9 6.319 -8.298 -0.990 1.00 0.00 C ATOM 126 O SER A 9 6.924 -8.765 -0.019 1.00 0.00 O ATOM 127 CB SER A 9 5.960 -10.070 -2.711 1.00 0.00 C ATOM 128 OG SER A 9 6.351 -10.581 -3.974 1.00 0.00 O ATOM 0 H SER A 9 8.537 -9.503 -1.909 1.00 0.00 H new ATOM 0 HA SER A 9 6.295 -7.987 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.202 -10.794 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.879 -9.930 -2.692 1.00 0.00 H new ATOM 0 HG SER A 9 5.769 -11.331 -4.218 1.00 0.00 H new ATOM 134 N TYR A 10 5.364 -7.393 -0.881 1.00 0.00 N ATOM 135 CA TYR A 10 4.918 -6.896 0.406 1.00 0.00 C ATOM 136 C TYR A 10 3.425 -7.153 0.553 1.00 0.00 C ATOM 137 O TYR A 10 2.657 -6.888 -0.373 1.00 0.00 O ATOM 138 CB TYR A 10 5.175 -5.387 0.526 1.00 0.00 C ATOM 139 CG TYR A 10 6.595 -4.955 0.230 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.551 -4.912 1.234 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.974 -4.575 -1.053 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.844 -4.502 0.971 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.266 -4.169 -1.325 1.00 0.00 C ATOM 144 CZ TYR A 10 9.196 -4.133 -0.309 1.00 0.00 C ATOM 145 OH TYR A 10 10.481 -3.721 -0.570 1.00 0.00 O ATOM 0 H TYR A 10 4.878 -6.984 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 10 5.473 -7.413 1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.503 -4.864 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.917 -5.069 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.280 -5.204 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.246 -4.598 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.575 -4.471 1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.545 -3.882 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 10 10.566 -3.497 -1.520 1.00 0.00 H new ATOM 155 N ARG A 11 3.004 -7.681 1.688 1.00 0.00 N ATOM 156 CA ARG A 11 1.580 -7.859 1.923 1.00 0.00 C ATOM 157 C ARG A 11 1.052 -6.750 2.809 1.00 0.00 C ATOM 158 O ARG A 11 1.804 -6.121 3.558 1.00 0.00 O ATOM 159 CB ARG A 11 1.260 -9.208 2.558 1.00 0.00 C ATOM 160 CG ARG A 11 1.732 -9.339 3.995 1.00 0.00 C ATOM 161 CD ARG A 11 1.233 -10.624 4.637 1.00 0.00 C ATOM 162 NE ARG A 11 1.828 -11.808 4.029 1.00 0.00 N ATOM 163 CZ ARG A 11 2.497 -12.735 4.710 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.617 -12.641 6.029 1.00 0.00 N ATOM 165 NH2 ARG A 11 3.028 -13.770 4.074 1.00 0.00 N ATOM 0 H ARG A 11 3.611 -7.989 2.448 1.00 0.00 H new ATOM 0 HA ARG A 11 1.092 -7.824 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.182 -9.368 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.719 -9.997 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.821 -9.317 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.381 -8.484 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.463 -10.610 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.148 -10.677 4.546 1.00 0.00 H new ATOM 0 HE ARG A 11 1.725 -11.933 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.195 -11.856 6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.131 -13.354 6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.924 -13.856 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.541 -14.481 4.596 1.00 0.00 H new ATOM 179 N ILE A 12 -0.244 -6.525 2.727 1.00 0.00 N ATOM 180 CA ILE A 12 -0.883 -5.487 3.518 1.00 0.00 C ATOM 181 C ILE A 12 -1.571 -6.105 4.727 1.00 0.00 C ATOM 182 O ILE A 12 -2.512 -6.892 4.579 1.00 0.00 O ATOM 183 CB ILE A 12 -1.933 -4.701 2.698 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.361 -4.303 1.331 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.394 -3.465 3.467 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.364 -3.616 0.429 1.00 0.00 C ATOM 0 H ILE A 12 -0.878 -7.046 2.121 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.102 -4.795 3.835 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.796 -5.346 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.508 -3.641 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.986 -5.196 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.133 -2.923 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.840 -3.771 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.539 -2.817 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.888 -3.364 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.206 -4.284 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.721 -2.705 0.909 1.00 0.00 H new ATOM 198 N THR A 13 -1.104 -5.748 5.909 1.00 0.00 N ATOM 199 CA THR A 13 -1.634 -6.303 7.141 1.00 0.00 C ATOM 200 C THR A 13 -2.758 -5.427 7.694 1.00 0.00 C ATOM 201 O THR A 13 -3.577 -5.879 8.494 1.00 0.00 O ATOM 202 CB THR A 13 -0.527 -6.438 8.193 1.00 0.00 C ATOM 203 OG1 THR A 13 0.710 -6.776 7.552 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.871 -7.511 9.216 1.00 0.00 C ATOM 0 H THR A 13 -0.353 -5.071 6.042 1.00 0.00 H new ATOM 0 HA THR A 13 -2.035 -7.291 6.914 1.00 0.00 H new ATOM 0 HB THR A 13 -0.432 -5.483 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.416 -6.860 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.068 -7.585 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.801 -7.248 9.721 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.991 -8.470 8.711 1.00 0.00 H new ATOM 212 N GLY A 14 -2.798 -4.175 7.255 1.00 0.00 N ATOM 213 CA GLY A 14 -3.817 -3.258 7.731 1.00 0.00 C ATOM 214 C GLY A 14 -3.488 -1.813 7.414 1.00 0.00 C ATOM 215 O GLY A 14 -2.839 -1.530 6.405 1.00 0.00 O ATOM 0 H GLY A 14 -2.145 -3.779 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.775 -3.517 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.931 -3.374 8.809 1.00 0.00 H new ATOM 219 N TYR A 15 -3.935 -0.902 8.266 1.00 0.00 N ATOM 220 CA TYR A 15 -3.680 0.519 8.074 1.00 0.00 C ATOM 221 C TYR A 15 -2.945 1.105 9.275 1.00 0.00 C ATOM 222 O TYR A 15 -3.071 0.608 10.398 1.00 0.00 O ATOM 223 CB TYR A 15 -4.993 1.272 7.858 1.00 0.00 C ATOM 224 CG TYR A 15 -5.817 0.751 6.697 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.722 -0.288 6.873 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.692 1.303 5.430 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.479 -0.761 5.818 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.445 0.836 4.369 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.334 -0.196 4.567 1.00 0.00 C ATOM 230 OH TYR A 15 -8.090 -0.662 3.515 1.00 0.00 O ATOM 0 H TYR A 15 -4.478 -1.122 9.101 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.053 0.631 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.589 1.212 8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.772 2.326 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.836 -0.733 7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.994 2.112 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.180 -1.568 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.336 1.279 3.390 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.592 -0.547 2.679 1.00 0.00 H new ATOM 240 N SER A 16 -2.181 2.159 9.033 1.00 0.00 N ATOM 241 CA SER A 16 -1.416 2.815 10.073 1.00 0.00 C ATOM 242 C SER A 16 -2.292 3.792 10.861 1.00 0.00 C ATOM 243 O SER A 16 -3.280 4.303 10.345 1.00 0.00 O ATOM 244 CB SER A 16 -0.241 3.547 9.426 1.00 0.00 C ATOM 245 OG SER A 16 0.597 2.644 8.721 1.00 0.00 O ATOM 0 H SER A 16 -2.076 2.581 8.110 1.00 0.00 H new ATOM 0 HA SER A 16 -1.044 2.070 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.615 4.310 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.338 4.062 10.193 1.00 0.00 H new ATOM 0 HG SER A 16 1.060 3.121 8.001 1.00 0.00 H new ATOM 251 N PRO A 17 -1.951 4.059 12.131 1.00 0.00 N ATOM 252 CA PRO A 17 -2.722 4.977 12.985 1.00 0.00 C ATOM 253 C PRO A 17 -2.751 6.414 12.455 1.00 0.00 C ATOM 254 O PRO A 17 -3.580 7.223 12.873 1.00 0.00 O ATOM 255 CB PRO A 17 -1.988 4.925 14.330 1.00 0.00 C ATOM 256 CG PRO A 17 -1.181 3.672 14.289 1.00 0.00 C ATOM 257 CD PRO A 17 -0.809 3.468 12.851 1.00 0.00 C ATOM 0 HA PRO A 17 -3.769 4.678 13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.351 5.799 14.465 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.692 4.913 15.162 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.292 3.760 14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.754 2.826 14.668 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.128 3.966 12.601 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.683 2.412 12.612 1.00 0.00 H new ATOM 265 N ALA A 18 -1.848 6.724 11.536 1.00 0.00 N ATOM 266 CA ALA A 18 -1.743 8.074 10.994 1.00 0.00 C ATOM 267 C ALA A 18 -2.730 8.324 9.851 1.00 0.00 C ATOM 268 O ALA A 18 -2.860 9.456 9.381 1.00 0.00 O ATOM 269 CB ALA A 18 -0.323 8.346 10.529 1.00 0.00 C ATOM 0 H ALA A 18 -1.177 6.060 11.149 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.001 8.763 11.799 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.259 9.357 10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.361 8.247 11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.050 7.629 9.754 1.00 0.00 H new ATOM 275 N ILE A 19 -3.430 7.288 9.402 1.00 0.00 N ATOM 276 CA ILE A 19 -4.379 7.453 8.306 1.00 0.00 C ATOM 277 C ILE A 19 -5.781 7.736 8.843 1.00 0.00 C ATOM 278 O ILE A 19 -6.153 7.267 9.922 1.00 0.00 O ATOM 279 CB ILE A 19 -4.410 6.218 7.368 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.216 6.523 6.102 1.00 0.00 C ATOM 281 CG2 ILE A 19 -4.986 5.001 8.078 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.309 5.355 5.148 1.00 0.00 C ATOM 0 H ILE A 19 -3.361 6.340 9.772 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.040 8.307 7.719 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.383 5.991 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.222 6.829 6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.760 7.368 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.995 4.152 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.372 4.762 8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.004 5.217 8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.894 5.644 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.308 5.062 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.793 4.515 5.647 1.00 0.00 H new ATOM 294 N SER A 20 -6.548 8.520 8.096 1.00 0.00 N ATOM 295 CA SER A 20 -7.915 8.842 8.477 1.00 0.00 C ATOM 296 C SER A 20 -8.858 7.736 7.994 1.00 0.00 C ATOM 297 O SER A 20 -8.524 6.996 7.065 1.00 0.00 O ATOM 298 CB SER A 20 -8.313 10.202 7.886 1.00 0.00 C ATOM 299 OG SER A 20 -9.448 10.741 8.540 1.00 0.00 O ATOM 0 H SER A 20 -6.244 8.945 7.220 1.00 0.00 H new ATOM 0 HA SER A 20 -7.988 8.907 9.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.477 10.896 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.524 10.090 6.822 1.00 0.00 H new ATOM 0 HG SER A 20 -9.674 11.607 8.142 1.00 0.00 H new ATOM 305 N ASN A 21 -10.030 7.628 8.617 1.00 0.00 N ATOM 306 CA ASN A 21 -10.968 6.541 8.315 1.00 0.00 C ATOM 307 C ASN A 21 -11.462 6.617 6.872 1.00 0.00 C ATOM 308 O ASN A 21 -11.466 5.616 6.157 1.00 0.00 O ATOM 309 CB ASN A 21 -12.163 6.569 9.276 1.00 0.00 C ATOM 310 CG ASN A 21 -13.198 5.499 8.956 1.00 0.00 C ATOM 311 OD1 ASN A 21 -14.130 5.730 8.186 1.00 0.00 O ATOM 312 ND2 ASN A 21 -13.046 4.325 9.551 1.00 0.00 N ATOM 0 H ASN A 21 -10.355 8.277 9.333 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.430 5.602 8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.807 6.431 10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.636 7.550 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.715 3.575 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.260 4.172 10.183 1.00 0.00 H new ATOM 319 N GLY A 22 -11.871 7.805 6.450 1.00 0.00 N ATOM 320 CA GLY A 22 -12.348 7.978 5.090 1.00 0.00 C ATOM 321 C GLY A 22 -11.257 7.737 4.065 1.00 0.00 C ATOM 322 O GLY A 22 -11.504 7.153 3.012 1.00 0.00 O ATOM 0 H GLY A 22 -11.882 8.650 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.174 7.291 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.740 8.988 4.970 1.00 0.00 H new ATOM 326 N TYR A 23 -10.046 8.177 4.381 1.00 0.00 N ATOM 327 CA TYR A 23 -8.900 7.966 3.505 1.00 0.00 C ATOM 328 C TYR A 23 -8.609 6.474 3.394 1.00 0.00 C ATOM 329 O TYR A 23 -8.289 5.967 2.319 1.00 0.00 O ATOM 330 CB TYR A 23 -7.675 8.710 4.041 1.00 0.00 C ATOM 331 CG TYR A 23 -6.612 8.978 2.998 1.00 0.00 C ATOM 332 CD1 TYR A 23 -5.622 8.043 2.717 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.598 10.176 2.297 1.00 0.00 C ATOM 334 CE1 TYR A 23 -4.653 8.298 1.766 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.634 10.435 1.346 1.00 0.00 C ATOM 336 CZ TYR A 23 -4.664 9.496 1.085 1.00 0.00 C ATOM 337 OH TYR A 23 -3.703 9.758 0.139 1.00 0.00 O ATOM 0 H TYR A 23 -9.831 8.684 5.240 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.132 8.358 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.998 9.659 4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.236 8.129 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.610 7.104 3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.356 10.918 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.891 7.562 1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.641 11.372 0.808 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.570 8.964 -0.420 1.00 0.00 H new ATOM 347 N ARG A 24 -8.734 5.784 4.522 1.00 0.00 N ATOM 348 CA ARG A 24 -8.646 4.332 4.573 1.00 0.00 C ATOM 349 C ARG A 24 -9.659 3.709 3.635 1.00 0.00 C ATOM 350 O ARG A 24 -9.346 2.792 2.884 1.00 0.00 O ATOM 351 CB ARG A 24 -8.930 3.871 6.004 1.00 0.00 C ATOM 352 CG ARG A 24 -9.033 2.369 6.157 1.00 0.00 C ATOM 353 CD ARG A 24 -9.752 1.972 7.440 1.00 0.00 C ATOM 354 NE ARG A 24 -9.026 2.367 8.649 1.00 0.00 N ATOM 355 CZ ARG A 24 -9.164 1.762 9.830 1.00 0.00 C ATOM 356 NH1 ARG A 24 -10.000 0.740 9.970 1.00 0.00 N ATOM 357 NH2 ARG A 24 -8.465 2.176 10.878 1.00 0.00 N ATOM 0 H ARG A 24 -8.900 6.219 5.430 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.647 4.021 4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.139 4.239 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.861 4.325 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.564 1.953 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.033 1.935 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.742 2.429 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.899 0.892 7.448 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.377 3.151 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.543 0.412 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.100 0.283 10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.819 2.960 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.573 1.711 11.779 1.00 0.00 H new ATOM 371 N GLN A 25 -10.868 4.227 3.684 1.00 0.00 N ATOM 372 CA GLN A 25 -11.947 3.725 2.868 1.00 0.00 C ATOM 373 C GLN A 25 -11.717 4.040 1.394 1.00 0.00 C ATOM 374 O GLN A 25 -12.114 3.267 0.523 1.00 0.00 O ATOM 375 CB GLN A 25 -13.265 4.302 3.363 1.00 0.00 C ATOM 376 CG GLN A 25 -13.691 3.729 4.707 1.00 0.00 C ATOM 377 CD GLN A 25 -15.010 4.287 5.203 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.305 5.528 4.850 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -15.754 3.608 5.910 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.128 5.006 4.290 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.985 2.639 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.174 5.385 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.043 4.104 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.771 2.645 4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.916 3.936 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.490 2.655 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.634 3.998 6.246 1.00 0.00 H new ATOM 388 N ARG A 26 -11.059 5.160 1.118 1.00 0.00 N ATOM 389 CA ARG A 26 -10.700 5.509 -0.250 1.00 0.00 C ATOM 390 C ARG A 26 -9.635 4.542 -0.759 1.00 0.00 C ATOM 391 O ARG A 26 -9.684 4.100 -1.905 1.00 0.00 O ATOM 392 CB ARG A 26 -10.207 6.964 -0.331 1.00 0.00 C ATOM 393 CG ARG A 26 -10.213 7.545 -1.744 1.00 0.00 C ATOM 394 CD ARG A 26 -8.904 7.300 -2.488 1.00 0.00 C ATOM 395 NE ARG A 26 -7.812 8.123 -1.964 1.00 0.00 N ATOM 396 CZ ARG A 26 -6.645 8.305 -2.585 1.00 0.00 C ATOM 397 NH1 ARG A 26 -6.433 7.784 -3.785 1.00 0.00 N ATOM 398 NH2 ARG A 26 -5.698 9.038 -2.013 1.00 0.00 N ATOM 0 H ARG A 26 -10.765 5.839 1.820 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.584 5.426 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.834 7.585 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.194 7.016 0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.035 7.106 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.400 8.617 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.634 6.247 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.044 7.515 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.952 8.587 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.165 7.239 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.538 7.928 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.863 9.461 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.806 9.178 -2.487 1.00 0.00 H new ATOM 412 N LEU A 27 -8.693 4.194 0.113 1.00 0.00 N ATOM 413 CA LEU A 27 -7.658 3.223 -0.228 1.00 0.00 C ATOM 414 C LEU A 27 -8.268 1.834 -0.392 1.00 0.00 C ATOM 415 O LEU A 27 -7.913 1.081 -1.302 1.00 0.00 O ATOM 416 CB LEU A 27 -6.568 3.209 0.848 1.00 0.00 C ATOM 417 CG LEU A 27 -5.675 4.450 0.880 1.00 0.00 C ATOM 418 CD1 LEU A 27 -4.568 4.284 1.907 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.089 4.723 -0.495 1.00 0.00 C ATOM 0 H LEU A 27 -8.625 4.569 1.059 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.204 3.514 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.042 3.096 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.940 2.332 0.696 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.287 5.305 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.943 5.177 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.006 4.139 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.959 3.417 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.457 5.610 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.493 3.868 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.896 4.888 -1.208 1.00 0.00 H new ATOM 431 N PHE A 28 -9.200 1.517 0.493 1.00 0.00 N ATOM 432 CA PHE A 28 -9.977 0.284 0.418 1.00 0.00 C ATOM 433 C PHE A 28 -10.667 0.182 -0.937 1.00 0.00 C ATOM 434 O PHE A 28 -10.605 -0.850 -1.609 1.00 0.00 O ATOM 435 CB PHE A 28 -11.023 0.284 1.536 1.00 0.00 C ATOM 436 CG PHE A 28 -11.778 -1.007 1.695 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.311 -1.995 2.546 1.00 0.00 C ATOM 438 CD2 PHE A 28 -12.962 -1.226 1.005 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.007 -3.178 2.703 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.659 -2.409 1.157 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.182 -3.385 2.008 1.00 0.00 C ATOM 0 H PHE A 28 -9.442 2.109 1.288 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.313 -0.572 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.527 0.517 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.737 1.085 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.393 -1.839 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.343 -0.463 0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.632 -3.941 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.576 -2.570 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.727 -4.309 2.130 1.00 0.00 H new ATOM 451 N SER A 29 -11.311 1.277 -1.325 1.00 0.00 N ATOM 452 CA SER A 29 -12.004 1.371 -2.604 1.00 0.00 C ATOM 453 C SER A 29 -11.040 1.160 -3.770 1.00 0.00 C ATOM 454 O SER A 29 -11.408 0.597 -4.802 1.00 0.00 O ATOM 455 CB SER A 29 -12.678 2.738 -2.730 1.00 0.00 C ATOM 456 OG SER A 29 -13.591 2.960 -1.665 1.00 0.00 O ATOM 0 H SER A 29 -11.367 2.125 -0.761 1.00 0.00 H new ATOM 0 HA SER A 29 -12.760 0.586 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.920 3.521 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.204 2.801 -3.683 1.00 0.00 H new ATOM 0 HG SER A 29 -13.106 3.297 -0.883 1.00 0.00 H new ATOM 462 N MET A 30 -9.805 1.611 -3.595 1.00 0.00 N ATOM 463 CA MET A 30 -8.778 1.446 -4.622 1.00 0.00 C ATOM 464 C MET A 30 -8.359 -0.011 -4.741 1.00 0.00 C ATOM 465 O MET A 30 -7.927 -0.459 -5.805 1.00 0.00 O ATOM 466 CB MET A 30 -7.545 2.291 -4.309 1.00 0.00 C ATOM 467 CG MET A 30 -7.781 3.785 -4.393 1.00 0.00 C ATOM 468 SD MET A 30 -6.267 4.728 -4.132 1.00 0.00 S ATOM 469 CE MET A 30 -5.305 4.235 -5.562 1.00 0.00 C ATOM 0 H MET A 30 -9.488 2.093 -2.754 1.00 0.00 H new ATOM 0 HA MET A 30 -9.211 1.778 -5.566 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.194 2.045 -3.307 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.747 2.021 -5.001 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.197 4.031 -5.370 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.522 4.077 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.531 4.978 -5.754 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.840 3.268 -5.372 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.958 4.159 -6.431 1.00 0.00 H new ATOM 479 N GLY A 31 -8.495 -0.742 -3.648 1.00 0.00 N ATOM 480 CA GLY A 31 -8.100 -2.134 -3.634 1.00 0.00 C ATOM 481 C GLY A 31 -6.988 -2.407 -2.644 1.00 0.00 C ATOM 482 O GLY A 31 -6.440 -3.507 -2.607 1.00 0.00 O ATOM 0 H GLY A 31 -8.873 -0.395 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.963 -2.752 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.774 -2.427 -4.632 1.00 0.00 H new ATOM 486 N LEU A 32 -6.664 -1.406 -1.839 1.00 0.00 N ATOM 487 CA LEU A 32 -5.605 -1.526 -0.849 1.00 0.00 C ATOM 488 C LEU A 32 -6.202 -1.801 0.525 1.00 0.00 C ATOM 489 O LEU A 32 -6.600 -0.880 1.240 1.00 0.00 O ATOM 490 CB LEU A 32 -4.764 -0.245 -0.813 1.00 0.00 C ATOM 491 CG LEU A 32 -4.136 0.163 -2.150 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.415 1.494 -2.017 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.174 -0.910 -2.640 1.00 0.00 C ATOM 0 H LEU A 32 -7.123 -0.495 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.959 -2.360 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.392 0.573 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.967 -0.373 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.936 0.272 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.976 1.767 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.124 2.263 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.627 1.408 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.739 -0.602 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.381 -1.050 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.713 -1.848 -2.775 1.00 0.00 H new ATOM 505 N LEU A 33 -6.292 -3.075 0.876 1.00 0.00 N ATOM 506 CA LEU A 33 -6.867 -3.479 2.141 1.00 0.00 C ATOM 507 C LEU A 33 -6.072 -4.634 2.745 1.00 0.00 C ATOM 508 O LEU A 33 -5.309 -5.304 2.041 1.00 0.00 O ATOM 509 CB LEU A 33 -8.330 -3.897 1.948 1.00 0.00 C ATOM 510 CG LEU A 33 -8.560 -5.140 1.081 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.882 -5.793 1.440 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.545 -4.786 -0.398 1.00 0.00 C ATOM 0 H LEU A 33 -5.970 -3.849 0.294 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.827 -2.631 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.770 -4.075 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.871 -3.062 1.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.748 -5.840 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.033 -6.675 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.869 -6.088 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.694 -5.086 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.711 -5.687 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.334 -4.064 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.579 -4.353 -0.659 1.00 0.00 H new ATOM 524 N PRO A 34 -6.234 -4.875 4.059 1.00 0.00 N ATOM 525 CA PRO A 34 -5.602 -6.006 4.744 1.00 0.00 C ATOM 526 C PRO A 34 -6.032 -7.340 4.147 1.00 0.00 C ATOM 527 O PRO A 34 -7.226 -7.612 3.993 1.00 0.00 O ATOM 528 CB PRO A 34 -6.091 -5.886 6.194 1.00 0.00 C ATOM 529 CG PRO A 34 -7.284 -4.996 6.132 1.00 0.00 C ATOM 530 CD PRO A 34 -7.040 -4.062 4.984 1.00 0.00 C ATOM 0 HA PRO A 34 -4.516 -5.979 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.349 -6.862 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.318 -5.464 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.195 -5.574 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.409 -4.445 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.973 -3.735 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.508 -3.165 5.300 1.00 0.00 H new ATOM 538 N GLY A 35 -5.058 -8.168 3.810 1.00 0.00 N ATOM 539 CA GLY A 35 -5.356 -9.444 3.198 1.00 0.00 C ATOM 540 C GLY A 35 -4.908 -9.502 1.754 1.00 0.00 C ATOM 541 O GLY A 35 -5.152 -10.487 1.061 1.00 0.00 O ATOM 0 H GLY A 35 -4.065 -7.979 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.866 -10.239 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.429 -9.630 3.252 1.00 0.00 H new ATOM 545 N ALA A 36 -4.252 -8.443 1.297 1.00 0.00 N ATOM 546 CA ALA A 36 -3.737 -8.386 -0.049 1.00 0.00 C ATOM 547 C ALA A 36 -2.219 -8.358 -0.027 1.00 0.00 C ATOM 548 O ALA A 36 -1.601 -8.241 1.035 1.00 0.00 O ATOM 549 CB ALA A 36 -4.287 -7.167 -0.775 1.00 0.00 C ATOM 0 H ALA A 36 -4.067 -7.608 1.852 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.059 -9.278 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.889 -7.138 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.375 -7.226 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.991 -6.263 -0.243 1.00 0.00 H new ATOM 555 N ALA A 37 -1.633 -8.454 -1.201 1.00 0.00 N ATOM 556 CA ALA A 37 -0.187 -8.485 -1.355 1.00 0.00 C ATOM 557 C ALA A 37 0.214 -7.940 -2.721 1.00 0.00 C ATOM 558 O ALA A 37 -0.446 -8.215 -3.727 1.00 0.00 O ATOM 559 CB ALA A 37 0.340 -9.906 -1.175 1.00 0.00 C ATOM 0 H ALA A 37 -2.144 -8.513 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 37 0.255 -7.853 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.424 -9.910 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.083 -10.266 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.109 -10.558 -1.924 1.00 0.00 H new ATOM 565 N LEU A 38 1.285 -7.165 -2.748 1.00 0.00 N ATOM 566 CA LEU A 38 1.763 -6.540 -3.976 1.00 0.00 C ATOM 567 C LEU A 38 3.234 -6.859 -4.189 1.00 0.00 C ATOM 568 O LEU A 38 4.030 -6.822 -3.250 1.00 0.00 O ATOM 569 CB LEU A 38 1.586 -5.022 -3.899 1.00 0.00 C ATOM 570 CG LEU A 38 0.173 -4.538 -3.564 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.167 -3.033 -3.345 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.799 -4.918 -4.670 1.00 0.00 C ATOM 0 H LEU A 38 1.848 -6.950 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 38 1.182 -6.932 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.272 -4.632 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.882 -4.591 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.148 -5.024 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.845 -2.704 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.833 -2.783 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.508 -2.532 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.798 -4.565 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.482 -4.460 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.815 -6.002 -4.784 1.00 0.00 H new ATOM 584 N ARG A 39 3.586 -7.186 -5.418 1.00 0.00 N ATOM 585 CA ARG A 39 4.977 -7.388 -5.780 1.00 0.00 C ATOM 586 C ARG A 39 5.499 -6.135 -6.463 1.00 0.00 C ATOM 587 O ARG A 39 4.849 -5.598 -7.363 1.00 0.00 O ATOM 588 CB ARG A 39 5.141 -8.620 -6.677 1.00 0.00 C ATOM 589 CG ARG A 39 6.520 -8.734 -7.307 1.00 0.00 C ATOM 590 CD ARG A 39 6.808 -10.147 -7.789 1.00 0.00 C ATOM 591 NE ARG A 39 7.132 -11.047 -6.682 1.00 0.00 N ATOM 592 CZ ARG A 39 7.966 -12.086 -6.785 1.00 0.00 C ATOM 593 NH1 ARG A 39 8.512 -12.389 -7.954 1.00 0.00 N ATOM 594 NH2 ARG A 39 8.246 -12.827 -5.720 1.00 0.00 N ATOM 0 H ARG A 39 2.926 -7.318 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 39 5.560 -7.572 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.944 -9.516 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.391 -8.586 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.594 -8.042 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.277 -8.437 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.941 -10.531 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.638 -10.127 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 39 6.695 -10.871 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.296 -11.828 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.148 -13.183 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.824 -12.604 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.883 -13.619 -5.803 1.00 0.00 H new ATOM 608 N VAL A 40 6.652 -5.664 -6.016 1.00 0.00 N ATOM 609 CA VAL A 40 7.188 -4.394 -6.475 1.00 0.00 C ATOM 610 C VAL A 40 7.706 -4.485 -7.908 1.00 0.00 C ATOM 611 O VAL A 40 8.373 -5.450 -8.289 1.00 0.00 O ATOM 612 CB VAL A 40 8.304 -3.880 -5.537 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.563 -4.714 -5.656 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.592 -2.415 -5.810 1.00 0.00 C ATOM 0 H VAL A 40 7.237 -6.145 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 40 6.365 -3.679 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 40 7.950 -3.977 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.324 -4.322 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.341 -5.748 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.931 -4.673 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.380 -2.068 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.914 -2.294 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.689 -1.829 -5.641 1.00 0.00 H new ATOM 624 N VAL A 41 7.358 -3.486 -8.701 1.00 0.00 N ATOM 625 CA VAL A 41 7.833 -3.383 -10.069 1.00 0.00 C ATOM 626 C VAL A 41 8.883 -2.280 -10.193 1.00 0.00 C ATOM 627 O VAL A 41 9.949 -2.490 -10.768 1.00 0.00 O ATOM 628 CB VAL A 41 6.667 -3.091 -11.042 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.177 -2.839 -12.453 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.665 -4.234 -11.039 1.00 0.00 C ATOM 0 H VAL A 41 6.740 -2.726 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 41 8.282 -4.340 -10.333 1.00 0.00 H new ATOM 0 HB VAL A 41 6.166 -2.187 -10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.334 -2.637 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.849 -1.981 -12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.714 -3.719 -12.808 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.853 -4.008 -11.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.161 -5.153 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.261 -4.361 -10.035 1.00 0.00 H new ATOM 640 N ARG A 42 8.588 -1.111 -9.629 1.00 0.00 N ATOM 641 CA ARG A 42 9.439 0.064 -9.819 1.00 0.00 C ATOM 642 C ARG A 42 9.267 1.104 -8.713 1.00 0.00 C ATOM 643 O ARG A 42 8.153 1.376 -8.266 1.00 0.00 O ATOM 644 CB ARG A 42 9.110 0.751 -11.146 1.00 0.00 C ATOM 645 CG ARG A 42 9.824 0.207 -12.368 1.00 0.00 C ATOM 646 CD ARG A 42 9.276 0.868 -13.618 1.00 0.00 C ATOM 647 NE ARG A 42 10.142 0.715 -14.781 1.00 0.00 N ATOM 648 CZ ARG A 42 9.784 1.078 -16.009 1.00 0.00 C ATOM 649 NH1 ARG A 42 8.553 1.528 -16.230 1.00 0.00 N ATOM 650 NH2 ARG A 42 10.648 0.979 -17.012 1.00 0.00 N ATOM 0 H ARG A 42 7.771 -0.951 -9.040 1.00 0.00 H new ATOM 0 HA ARG A 42 10.465 -0.304 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.036 0.678 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.347 1.811 -11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.895 0.392 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.691 -0.873 -12.428 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.297 0.445 -13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.126 1.930 -13.423 1.00 0.00 H new ATOM 0 HE ARG A 42 11.068 0.309 -14.646 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.888 1.594 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.273 1.808 -17.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.589 0.624 -16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.371 1.258 -17.953 1.00 0.00 H new ATOM 664 N ILE A 43 10.388 1.675 -8.285 1.00 0.00 N ATOM 665 CA ILE A 43 10.399 2.915 -7.508 1.00 0.00 C ATOM 666 C ILE A 43 11.396 3.863 -8.169 1.00 0.00 C ATOM 667 O ILE A 43 12.574 3.528 -8.290 1.00 0.00 O ATOM 668 CB ILE A 43 10.830 2.737 -6.030 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.024 1.643 -5.328 1.00 0.00 C ATOM 670 CG2 ILE A 43 10.690 4.059 -5.278 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.626 0.265 -5.472 1.00 0.00 C ATOM 0 H ILE A 43 11.316 1.293 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 43 9.377 3.293 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 43 11.875 2.428 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.942 1.886 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.012 1.633 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.996 3.922 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.323 4.813 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.651 4.387 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.003 -0.461 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.683 0.001 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.628 0.259 -5.042 1.00 0.00 H new ATOM 683 N ALA A 44 10.940 5.021 -8.615 1.00 0.00 N ATOM 684 CA ALA A 44 11.821 5.950 -9.318 1.00 0.00 C ATOM 685 C ALA A 44 12.883 6.519 -8.379 1.00 0.00 C ATOM 686 O ALA A 44 12.582 6.880 -7.241 1.00 0.00 O ATOM 687 CB ALA A 44 11.026 7.082 -9.959 1.00 0.00 C ATOM 0 H ALA A 44 9.978 5.342 -8.507 1.00 0.00 H new ATOM 0 HA ALA A 44 12.323 5.390 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.707 7.758 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.315 6.668 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.487 7.630 -9.187 1.00 0.00 H new ATOM 693 N PRO A 45 14.139 6.624 -8.863 1.00 0.00 N ATOM 694 CA PRO A 45 15.280 7.122 -8.072 1.00 0.00 C ATOM 695 C PRO A 45 15.067 8.538 -7.549 1.00 0.00 C ATOM 696 O PRO A 45 15.737 8.969 -6.608 1.00 0.00 O ATOM 697 CB PRO A 45 16.454 7.094 -9.060 1.00 0.00 C ATOM 698 CG PRO A 45 15.830 7.011 -10.409 1.00 0.00 C ATOM 699 CD PRO A 45 14.548 6.254 -10.223 1.00 0.00 C ATOM 0 HA PRO A 45 15.438 6.513 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.069 7.989 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.104 6.239 -8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.641 8.005 -10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.487 6.500 -11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.799 6.541 -10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.697 5.179 -10.321 1.00 0.00 H new ATOM 707 N LEU A 46 14.135 9.253 -8.168 1.00 0.00 N ATOM 708 CA LEU A 46 13.755 10.595 -7.732 1.00 0.00 C ATOM 709 C LEU A 46 13.323 10.585 -6.275 1.00 0.00 C ATOM 710 O LEU A 46 13.642 11.486 -5.499 1.00 0.00 O ATOM 711 CB LEU A 46 12.595 11.120 -8.585 1.00 0.00 C ATOM 712 CG LEU A 46 12.949 11.557 -10.013 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.124 12.522 -10.009 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.238 10.350 -10.900 1.00 0.00 C ATOM 0 H LEU A 46 13.621 8.922 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 46 14.624 11.243 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.833 10.343 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.146 11.968 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 46 12.086 12.078 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.356 12.817 -11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.867 13.406 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.993 12.035 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.486 10.689 -11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.077 9.789 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.358 9.709 -10.940 1.00 0.00 H new ATOM 726 N GLY A 47 12.603 9.544 -5.910 1.00 0.00 N ATOM 727 CA GLY A 47 12.052 9.444 -4.586 1.00 0.00 C ATOM 728 C GLY A 47 10.954 8.431 -4.551 1.00 0.00 C ATOM 729 O GLY A 47 11.145 7.321 -4.046 1.00 0.00 O ATOM 0 H GLY A 47 12.388 8.755 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.834 9.165 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.669 10.415 -4.271 1.00 0.00 H new ATOM 733 N ASP A 48 9.803 8.793 -5.102 1.00 0.00 N ATOM 734 CA ASP A 48 8.719 7.853 -5.169 1.00 0.00 C ATOM 735 C ASP A 48 7.610 8.202 -6.143 1.00 0.00 C ATOM 736 O ASP A 48 7.038 9.289 -6.122 1.00 0.00 O ATOM 737 CB ASP A 48 8.109 7.779 -3.774 1.00 0.00 C ATOM 738 CG ASP A 48 6.608 7.549 -3.789 1.00 0.00 C ATOM 739 OD1 ASP A 48 6.180 6.414 -4.032 1.00 0.00 O ATOM 740 OD2 ASP A 48 5.850 8.524 -3.555 1.00 0.00 O ATOM 0 H ASP A 48 9.608 9.713 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 48 9.142 6.915 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.588 6.974 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.323 8.706 -3.241 1.00 0.00 H new ATOM 745 N PRO A 49 7.407 7.291 -7.088 1.00 0.00 N ATOM 746 CA PRO A 49 6.157 6.633 -7.354 1.00 0.00 C ATOM 747 C PRO A 49 6.329 5.143 -7.082 1.00 0.00 C ATOM 748 O PRO A 49 7.442 4.603 -7.163 1.00 0.00 O ATOM 749 CB PRO A 49 5.974 6.861 -8.848 1.00 0.00 C ATOM 750 CG PRO A 49 7.364 7.144 -9.369 1.00 0.00 C ATOM 751 CD PRO A 49 8.310 7.026 -8.186 1.00 0.00 C ATOM 0 HA PRO A 49 5.320 6.992 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.541 5.985 -9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.302 7.697 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.635 6.436 -10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.417 8.140 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.765 6.038 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.124 7.749 -8.235 1.00 0.00 H new ATOM 759 N ILE A 50 5.268 4.462 -6.780 1.00 0.00 N ATOM 760 CA ILE A 50 5.398 3.055 -6.462 1.00 0.00 C ATOM 761 C ILE A 50 4.622 2.203 -7.447 1.00 0.00 C ATOM 762 O ILE A 50 3.395 2.133 -7.404 1.00 0.00 O ATOM 763 CB ILE A 50 4.962 2.752 -5.012 1.00 0.00 C ATOM 764 CG1 ILE A 50 5.883 3.489 -4.039 1.00 0.00 C ATOM 765 CG2 ILE A 50 4.989 1.253 -4.738 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.400 3.480 -2.609 1.00 0.00 C ATOM 0 H ILE A 50 4.320 4.836 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 50 6.455 2.800 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 50 3.938 3.098 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.874 3.037 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.990 4.522 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.678 1.065 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.308 0.746 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.000 0.874 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.108 4.023 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.423 3.960 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.320 2.451 -2.258 1.00 0.00 H new ATOM 778 N GLN A 51 5.356 1.586 -8.353 1.00 0.00 N ATOM 779 CA GLN A 51 4.776 0.689 -9.327 1.00 0.00 C ATOM 780 C GLN A 51 4.820 -0.741 -8.808 1.00 0.00 C ATOM 781 O GLN A 51 5.887 -1.245 -8.463 1.00 0.00 O ATOM 782 CB GLN A 51 5.526 0.816 -10.651 1.00 0.00 C ATOM 783 CG GLN A 51 5.160 2.071 -11.431 1.00 0.00 C ATOM 784 CD GLN A 51 6.168 2.414 -12.513 1.00 0.00 C ATOM 785 OE1 GLN A 51 6.077 1.937 -13.643 1.00 0.00 O ATOM 786 NE2 GLN A 51 7.126 3.263 -12.178 1.00 0.00 N ATOM 0 H GLN A 51 6.367 1.693 -8.432 1.00 0.00 H new ATOM 0 HA GLN A 51 3.733 0.956 -9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.598 0.818 -10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.316 -0.060 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.179 1.936 -11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.078 2.910 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.168 3.637 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.823 3.544 -12.868 1.00 0.00 H new ATOM 795 N VAL A 52 3.659 -1.377 -8.739 1.00 0.00 N ATOM 796 CA VAL A 52 3.538 -2.736 -8.214 1.00 0.00 C ATOM 797 C VAL A 52 2.556 -3.539 -9.057 1.00 0.00 C ATOM 798 O VAL A 52 1.857 -2.976 -9.898 1.00 0.00 O ATOM 799 CB VAL A 52 3.058 -2.746 -6.741 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.098 -2.131 -5.816 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.726 -2.023 -6.603 1.00 0.00 C ATOM 0 H VAL A 52 2.775 -0.970 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 52 4.530 -3.186 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 52 2.919 -3.786 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.731 -2.153 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.025 -2.700 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.284 -1.099 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.408 -2.042 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.838 -0.989 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.977 -2.519 -7.220 1.00 0.00 H new ATOM 811 N GLU A 53 2.487 -4.844 -8.829 1.00 0.00 N ATOM 812 CA GLU A 53 1.577 -5.697 -9.584 1.00 0.00 C ATOM 813 C GLU A 53 0.559 -6.303 -8.627 1.00 0.00 C ATOM 814 O GLU A 53 0.917 -6.767 -7.542 1.00 0.00 O ATOM 815 CB GLU A 53 2.359 -6.792 -10.319 1.00 0.00 C ATOM 816 CG GLU A 53 1.743 -7.217 -11.650 1.00 0.00 C ATOM 817 CD GLU A 53 0.424 -7.951 -11.502 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.445 -9.191 -11.346 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.638 -7.297 -11.545 1.00 0.00 O ATOM 0 H GLU A 53 3.047 -5.334 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 53 1.053 -5.104 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.375 -6.439 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.435 -7.665 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.590 -6.333 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.448 -7.858 -12.179 1.00 0.00 H new ATOM 826 N THR A 54 -0.702 -6.296 -9.027 1.00 0.00 N ATOM 827 CA THR A 54 -1.779 -6.687 -8.134 1.00 0.00 C ATOM 828 C THR A 54 -2.404 -8.020 -8.552 1.00 0.00 C ATOM 829 O THR A 54 -2.671 -8.882 -7.709 1.00 0.00 O ATOM 830 CB THR A 54 -2.865 -5.599 -8.097 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.251 -4.312 -7.944 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.833 -5.834 -6.946 1.00 0.00 C ATOM 0 H THR A 54 -1.004 -6.024 -9.963 1.00 0.00 H new ATOM 0 HA THR A 54 -1.349 -6.809 -7.140 1.00 0.00 H new ATOM 0 HB THR A 54 -3.421 -5.639 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.941 -3.640 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.591 -5.051 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.314 -6.804 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.288 -5.816 -6.002 1.00 0.00 H new ATOM 840 N ARG A 55 -2.590 -8.201 -9.855 1.00 0.00 N ATOM 841 CA ARG A 55 -3.301 -9.366 -10.384 1.00 0.00 C ATOM 842 C ARG A 55 -3.295 -9.356 -11.907 1.00 0.00 C ATOM 843 O ARG A 55 -3.181 -10.402 -12.545 1.00 0.00 O ATOM 844 CB ARG A 55 -4.753 -9.394 -9.885 1.00 0.00 C ATOM 845 CG ARG A 55 -5.513 -10.654 -10.279 1.00 0.00 C ATOM 846 CD ARG A 55 -6.992 -10.564 -9.922 1.00 0.00 C ATOM 847 NE ARG A 55 -7.207 -10.272 -8.506 1.00 0.00 N ATOM 848 CZ ARG A 55 -7.882 -11.061 -7.669 1.00 0.00 C ATOM 849 NH1 ARG A 55 -8.423 -12.199 -8.098 1.00 0.00 N ATOM 850 NH2 ARG A 55 -8.030 -10.698 -6.402 1.00 0.00 N ATOM 0 H ARG A 55 -2.257 -7.554 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.783 -10.257 -10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.756 -9.303 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.280 -8.525 -10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.408 -10.820 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.071 -11.515 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.462 -9.788 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.482 -11.504 -10.175 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.815 -9.407 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.323 -12.475 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.937 -12.795 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.629 -9.820 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.545 -11.297 -5.757 1.00 0.00 H new ATOM 864 N GLN A 56 -3.410 -8.173 -12.488 1.00 0.00 N ATOM 865 CA GLN A 56 -3.536 -8.051 -13.931 1.00 0.00 C ATOM 866 C GLN A 56 -2.399 -7.206 -14.501 1.00 0.00 C ATOM 867 O GLN A 56 -1.672 -7.644 -15.397 1.00 0.00 O ATOM 868 CB GLN A 56 -4.900 -7.437 -14.275 1.00 0.00 C ATOM 869 CG GLN A 56 -5.436 -7.794 -15.661 1.00 0.00 C ATOM 870 CD GLN A 56 -4.779 -7.027 -16.792 1.00 0.00 C ATOM 871 OE1 GLN A 56 -5.223 -5.938 -17.154 1.00 0.00 O ATOM 872 NE2 GLN A 56 -3.746 -7.606 -17.384 1.00 0.00 N ATOM 0 H GLN A 56 -3.419 -7.286 -11.984 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.471 -9.041 -14.381 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.625 -7.758 -13.527 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.823 -6.352 -14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.295 -8.862 -15.830 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.509 -7.606 -15.684 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.409 -8.510 -17.052 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.287 -7.148 -18.172 1.00 0.00 H new ATOM 881 N THR A 57 -2.222 -6.012 -13.961 1.00 0.00 N ATOM 882 CA THR A 57 -1.252 -5.081 -14.507 1.00 0.00 C ATOM 883 C THR A 57 -0.565 -4.318 -13.379 1.00 0.00 C ATOM 884 O THR A 57 -0.920 -4.470 -12.208 1.00 0.00 O ATOM 885 CB THR A 57 -1.917 -4.095 -15.499 1.00 0.00 C ATOM 886 OG1 THR A 57 -0.919 -3.357 -16.221 1.00 0.00 O ATOM 887 CG2 THR A 57 -2.840 -3.124 -14.777 1.00 0.00 C ATOM 0 H THR A 57 -2.735 -5.667 -13.150 1.00 0.00 H new ATOM 0 HA THR A 57 -0.504 -5.653 -15.056 1.00 0.00 H new ATOM 0 HB THR A 57 -2.509 -4.684 -16.199 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.356 -2.740 -16.845 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.292 -2.445 -15.500 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.624 -3.681 -14.263 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.267 -2.550 -14.049 1.00 0.00 H new ATOM 895 N SER A 58 0.416 -3.507 -13.734 1.00 0.00 N ATOM 896 CA SER A 58 1.162 -2.750 -12.755 1.00 0.00 C ATOM 897 C SER A 58 0.490 -1.414 -12.486 1.00 0.00 C ATOM 898 O SER A 58 0.084 -0.702 -13.410 1.00 0.00 O ATOM 899 CB SER A 58 2.592 -2.532 -13.232 1.00 0.00 C ATOM 900 OG SER A 58 3.171 -3.759 -13.646 1.00 0.00 O ATOM 0 H SER A 58 0.712 -3.358 -14.699 1.00 0.00 H new ATOM 0 HA SER A 58 1.184 -3.319 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.601 -1.822 -14.059 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.187 -2.095 -12.430 1.00 0.00 H new ATOM 0 HG SER A 58 4.089 -3.601 -13.951 1.00 0.00 H new ATOM 906 N LEU A 59 0.377 -1.090 -11.215 1.00 0.00 N ATOM 907 CA LEU A 59 -0.231 0.158 -10.787 1.00 0.00 C ATOM 908 C LEU A 59 0.817 1.066 -10.168 1.00 0.00 C ATOM 909 O LEU A 59 1.958 0.659 -9.970 1.00 0.00 O ATOM 910 CB LEU A 59 -1.364 -0.078 -9.780 1.00 0.00 C ATOM 911 CG LEU A 59 -2.671 -0.631 -10.355 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.090 0.146 -11.592 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.554 -2.115 -10.662 1.00 0.00 C ATOM 0 H LEU A 59 0.702 -1.680 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.656 0.634 -11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.006 -0.768 -9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.581 0.866 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.445 -0.508 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.021 -0.265 -11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.238 1.194 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.312 0.068 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.498 -2.478 -11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.760 -2.274 -11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.320 -2.659 -9.747 1.00 0.00 H new ATOM 925 N ALA A 60 0.415 2.285 -9.855 1.00 0.00 N ATOM 926 CA ALA A 60 1.324 3.268 -9.287 1.00 0.00 C ATOM 927 C ALA A 60 0.606 4.097 -8.238 1.00 0.00 C ATOM 928 O ALA A 60 -0.582 4.398 -8.384 1.00 0.00 O ATOM 929 CB ALA A 60 1.893 4.162 -10.379 1.00 0.00 C ATOM 0 H ALA A 60 -0.540 2.620 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 60 2.152 2.744 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.571 4.891 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.437 3.553 -11.101 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.079 4.683 -10.884 1.00 0.00 H new ATOM 935 N LEU A 61 1.327 4.464 -7.190 1.00 0.00 N ATOM 936 CA LEU A 61 0.762 5.234 -6.096 1.00 0.00 C ATOM 937 C LEU A 61 1.872 6.013 -5.420 1.00 0.00 C ATOM 938 O LEU A 61 3.009 5.989 -5.890 1.00 0.00 O ATOM 939 CB LEU A 61 0.038 4.339 -5.073 1.00 0.00 C ATOM 940 CG LEU A 61 0.914 3.353 -4.295 1.00 0.00 C ATOM 941 CD1 LEU A 61 0.244 2.970 -2.985 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.187 2.101 -5.118 1.00 0.00 C ATOM 0 H LEU A 61 2.315 4.237 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 61 0.017 5.917 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.473 4.982 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.731 3.773 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 61 1.864 3.843 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.879 2.269 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.091 3.863 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.719 2.503 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.811 1.417 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.243 1.613 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.702 2.376 -6.038 1.00 0.00 H new ATOM 954 N ARG A 62 1.557 6.703 -4.335 1.00 0.00 N ATOM 955 CA ARG A 62 2.554 7.500 -3.651 1.00 0.00 C ATOM 956 C ARG A 62 2.988 6.893 -2.337 1.00 0.00 C ATOM 957 O ARG A 62 2.301 6.061 -1.738 1.00 0.00 O ATOM 958 CB ARG A 62 2.052 8.914 -3.419 1.00 0.00 C ATOM 959 CG ARG A 62 1.956 9.707 -4.695 1.00 0.00 C ATOM 960 CD ARG A 62 3.312 9.856 -5.365 1.00 0.00 C ATOM 961 NE ARG A 62 3.223 10.568 -6.637 1.00 0.00 N ATOM 962 CZ ARG A 62 4.204 11.314 -7.135 1.00 0.00 C ATOM 963 NH1 ARG A 62 5.345 11.438 -6.470 1.00 0.00 N ATOM 964 NH2 ARG A 62 4.051 11.921 -8.305 1.00 0.00 N ATOM 0 H ARG A 62 0.628 6.726 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 62 3.425 7.525 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.072 8.875 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.721 9.425 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.264 9.215 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.545 10.694 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.988 10.390 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.743 8.869 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 62 2.359 10.488 -7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.469 10.961 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.098 12.010 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.179 11.816 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.805 12.493 -8.685 1.00 0.00 H new ATOM 978 N ARG A 63 4.143 7.353 -1.916 1.00 0.00 N ATOM 979 CA ARG A 63 4.786 6.918 -0.677 1.00 0.00 C ATOM 980 C ARG A 63 3.882 7.109 0.536 1.00 0.00 C ATOM 981 O ARG A 63 3.815 6.245 1.406 1.00 0.00 O ATOM 982 CB ARG A 63 6.098 7.691 -0.482 1.00 0.00 C ATOM 983 CG ARG A 63 5.902 9.190 -0.277 1.00 0.00 C ATOM 984 CD ARG A 63 7.017 10.008 -0.906 1.00 0.00 C ATOM 985 NE ARG A 63 8.330 9.715 -0.339 1.00 0.00 N ATOM 986 CZ ARG A 63 9.335 10.591 -0.314 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.146 11.836 -0.742 1.00 0.00 N ATOM 988 NH2 ARG A 63 10.519 10.224 0.160 1.00 0.00 N ATOM 0 H ARG A 63 4.680 8.053 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 63 4.991 5.851 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.626 7.281 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.736 7.532 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.947 9.491 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.854 9.405 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.040 9.816 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.800 11.068 -0.776 1.00 0.00 H new ATOM 0 HE ARG A 63 8.487 8.789 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.231 12.122 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.916 12.505 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.658 9.274 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.290 10.892 0.180 1.00 0.00 H new ATOM 1002 N LYS A 64 3.180 8.235 0.593 1.00 0.00 N ATOM 1003 CA LYS A 64 2.352 8.548 1.750 1.00 0.00 C ATOM 1004 C LYS A 64 1.185 7.577 1.848 1.00 0.00 C ATOM 1005 O LYS A 64 0.875 7.075 2.926 1.00 0.00 O ATOM 1006 CB LYS A 64 1.840 9.988 1.692 1.00 0.00 C ATOM 1007 CG LYS A 64 1.239 10.460 3.007 1.00 0.00 C ATOM 1008 CD LYS A 64 0.844 11.927 2.961 1.00 0.00 C ATOM 1009 CE LYS A 64 0.598 12.474 4.359 1.00 0.00 C ATOM 1010 NZ LYS A 64 1.826 12.402 5.199 1.00 0.00 N ATOM 0 H LYS A 64 3.168 8.941 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 64 2.971 8.445 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.662 10.649 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.089 10.069 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.362 9.856 3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.958 10.304 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.631 12.503 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.056 12.045 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.262 13.509 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.203 11.909 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.756 13.089 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.922 11.444 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.659 12.623 4.616 1.00 0.00 H new ATOM 1024 N ASP A 65 0.564 7.296 0.711 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.537 6.349 0.649 1.00 0.00 C ATOM 1026 C ASP A 65 -0.078 4.981 1.125 1.00 0.00 C ATOM 1027 O ASP A 65 -0.791 4.291 1.852 1.00 0.00 O ATOM 1028 CB ASP A 65 -1.071 6.242 -0.780 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.684 7.530 -1.283 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.927 8.436 -1.689 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.929 7.640 -1.293 1.00 0.00 O ATOM 0 H ASP A 65 0.807 7.715 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.335 6.707 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.258 5.950 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.818 5.450 -0.824 1.00 0.00 H new ATOM 1036 N LEU A 66 1.129 4.605 0.722 1.00 0.00 N ATOM 1037 CA LEU A 66 1.695 3.324 1.112 1.00 0.00 C ATOM 1038 C LEU A 66 2.052 3.323 2.598 1.00 0.00 C ATOM 1039 O LEU A 66 1.861 2.329 3.293 1.00 0.00 O ATOM 1040 CB LEU A 66 2.951 3.019 0.294 1.00 0.00 C ATOM 1041 CG LEU A 66 3.346 1.542 0.270 1.00 0.00 C ATOM 1042 CD1 LEU A 66 2.453 0.769 -0.689 1.00 0.00 C ATOM 1043 CD2 LEU A 66 4.811 1.373 -0.099 1.00 0.00 C ATOM 0 H LEU A 66 1.733 5.170 0.125 1.00 0.00 H new ATOM 0 HA LEU A 66 0.945 2.556 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.794 3.357 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.782 3.598 0.697 1.00 0.00 H new ATOM 0 HG LEU A 66 3.208 1.137 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.747 -0.280 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.415 0.853 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.556 1.180 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.064 0.313 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.989 1.797 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.432 1.888 0.634 1.00 0.00 H new ATOM 1055 N ALA A 67 2.572 4.450 3.073 1.00 0.00 N ATOM 1056 CA ALA A 67 2.977 4.590 4.470 1.00 0.00 C ATOM 1057 C ALA A 67 1.773 4.564 5.405 1.00 0.00 C ATOM 1058 O ALA A 67 1.887 4.187 6.572 1.00 0.00 O ATOM 1059 CB ALA A 67 3.770 5.873 4.667 1.00 0.00 C ATOM 0 H ALA A 67 2.724 5.285 2.508 1.00 0.00 H new ATOM 0 HA ALA A 67 3.612 3.740 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.064 5.962 5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.661 5.850 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.154 6.728 4.389 1.00 0.00 H new ATOM 1065 N LEU A 68 0.620 4.971 4.891 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.610 4.942 5.670 1.00 0.00 C ATOM 1067 C LEU A 68 -1.162 3.524 5.746 1.00 0.00 C ATOM 1068 O LEU A 68 -2.113 3.252 6.481 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.646 5.896 5.069 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.244 7.375 5.075 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.324 8.229 4.429 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -0.967 7.850 6.494 1.00 0.00 C ATOM 0 H LEU A 68 0.511 5.324 3.940 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.386 5.274 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.844 5.593 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.581 5.787 5.619 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.329 7.481 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.018 9.275 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.472 7.909 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.257 8.116 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.683 8.902 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.864 7.726 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.155 7.262 6.922 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.550 2.626 4.990 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.881 1.214 5.044 1.00 0.00 C ATOM 1086 C LEU A 69 0.131 0.483 5.919 1.00 0.00 C ATOM 1087 O LEU A 69 1.326 0.788 5.884 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.860 0.601 3.639 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.814 1.228 2.623 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.535 0.680 1.231 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.256 0.954 3.014 1.00 0.00 C ATOM 0 H LEU A 69 0.188 2.856 4.324 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.882 1.111 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.155 0.672 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.095 -0.460 3.723 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.653 2.306 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.221 1.135 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.509 0.913 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.675 -0.401 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.924 1.407 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.427 -0.122 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.454 1.381 3.997 1.00 0.00 H new ATOM 1103 N THR A 70 -0.335 -0.467 6.705 1.00 0.00 N ATOM 1104 CA THR A 70 0.567 -1.317 7.452 1.00 0.00 C ATOM 1105 C THR A 70 0.991 -2.475 6.568 1.00 0.00 C ATOM 1106 O THR A 70 0.175 -3.316 6.187 1.00 0.00 O ATOM 1107 CB THR A 70 -0.076 -1.864 8.730 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.620 -0.788 9.498 1.00 0.00 O ATOM 1109 CG2 THR A 70 0.938 -2.624 9.574 1.00 0.00 C ATOM 0 H THR A 70 -1.326 -0.668 6.842 1.00 0.00 H new ATOM 0 HA THR A 70 1.427 -0.717 7.750 1.00 0.00 H new ATOM 0 HB THR A 70 -0.870 -2.552 8.440 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.032 -1.143 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.453 -3.000 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.336 -3.461 8.999 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.753 -1.956 9.853 1.00 0.00 H new ATOM 1117 N LEU A 71 2.261 -2.502 6.241 1.00 0.00 N ATOM 1118 CA LEU A 71 2.786 -3.477 5.306 1.00 0.00 C ATOM 1119 C LEU A 71 3.853 -4.323 5.962 1.00 0.00 C ATOM 1120 O LEU A 71 4.680 -3.817 6.724 1.00 0.00 O ATOM 1121 CB LEU A 71 3.391 -2.775 4.093 1.00 0.00 C ATOM 1122 CG LEU A 71 2.457 -1.828 3.344 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.221 -1.107 2.251 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.282 -2.587 2.754 1.00 0.00 C ATOM 0 H LEU A 71 2.958 -1.855 6.611 1.00 0.00 H new ATOM 0 HA LEU A 71 1.961 -4.115 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.264 -2.211 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.745 -3.534 3.396 1.00 0.00 H new ATOM 0 HG LEU A 71 2.068 -1.094 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.548 -0.433 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.035 -0.533 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.630 -1.836 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.629 -1.893 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.649 -3.342 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.723 -3.072 3.554 1.00 0.00 H new ATOM 1136 N VAL A 72 3.825 -5.608 5.672 1.00 0.00 N ATOM 1137 CA VAL A 72 4.911 -6.488 6.060 1.00 0.00 C ATOM 1138 C VAL A 72 5.407 -7.250 4.841 1.00 0.00 C ATOM 1139 O VAL A 72 4.615 -7.814 4.078 1.00 0.00 O ATOM 1140 CB VAL A 72 4.526 -7.479 7.189 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.239 -6.741 8.488 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.336 -8.335 6.794 1.00 0.00 C ATOM 0 H VAL A 72 3.064 -6.066 5.170 1.00 0.00 H new ATOM 0 HA VAL A 72 5.704 -5.858 6.463 1.00 0.00 H new ATOM 0 HB VAL A 72 5.379 -8.139 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.972 -7.459 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.126 -6.188 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.413 -6.046 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.093 -9.018 7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.478 -7.694 6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.581 -8.908 5.900 1.00 0.00 H new ATOM 1152 N PRO A 73 6.719 -7.242 4.606 1.00 0.00 N ATOM 1153 CA PRO A 73 7.304 -7.924 3.461 1.00 0.00 C ATOM 1154 C PRO A 73 7.353 -9.429 3.667 1.00 0.00 C ATOM 1155 O PRO A 73 7.234 -9.921 4.792 1.00 0.00 O ATOM 1156 CB PRO A 73 8.731 -7.354 3.376 1.00 0.00 C ATOM 1157 CG PRO A 73 8.815 -6.284 4.419 1.00 0.00 C ATOM 1158 CD PRO A 73 7.738 -6.577 5.422 1.00 0.00 C ATOM 0 HA PRO A 73 6.721 -7.766 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.473 -8.132 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.930 -6.948 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.796 -6.282 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.673 -5.299 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.096 -7.219 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.357 -5.667 5.886 1.00 0.00 H new ATOM 1166 N LEU A 74 7.522 -10.160 2.577 1.00 0.00 N ATOM 1167 CA LEU A 74 7.745 -11.591 2.654 1.00 0.00 C ATOM 1168 C LEU A 74 9.121 -11.878 3.239 1.00 0.00 C ATOM 1169 O LEU A 74 9.308 -12.853 3.972 1.00 0.00 O ATOM 1170 CB LEU A 74 7.614 -12.225 1.271 1.00 0.00 C ATOM 1171 CG LEU A 74 6.214 -12.174 0.656 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.192 -12.921 -0.666 1.00 0.00 C ATOM 1173 CD2 LEU A 74 5.187 -12.759 1.614 1.00 0.00 C ATOM 0 H LEU A 74 7.509 -9.784 1.629 1.00 0.00 H new ATOM 0 HA LEU A 74 6.989 -12.027 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.308 -11.727 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.926 -13.267 1.337 1.00 0.00 H new ATOM 0 HG LEU A 74 5.956 -11.131 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.190 -12.877 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.900 -12.462 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.470 -13.962 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.198 -12.714 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.440 -13.797 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.186 -12.186 2.541 1.00 0.00 H new ATOM 1185 N ASP A 75 10.076 -11.010 2.918 1.00 0.00 N ATOM 1186 CA ASP A 75 11.432 -11.122 3.434 1.00 0.00 C ATOM 1187 C ASP A 75 12.175 -9.810 3.223 1.00 0.00 C ATOM 1188 O ASP A 75 12.395 -9.428 2.053 1.00 0.00 O ATOM 1189 CB ASP A 75 12.188 -12.270 2.759 1.00 0.00 C ATOM 1190 CG ASP A 75 13.576 -12.458 3.341 1.00 0.00 C ATOM 1191 OD1 ASP A 75 13.681 -12.867 4.520 1.00 0.00 O ATOM 1192 OD2 ASP A 75 14.571 -12.201 2.631 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.530 -9.161 4.226 1.00 0.00 O ATOM 0 H ASP A 75 9.931 -10.214 2.296 1.00 0.00 H new ATOM 0 HA ASP A 75 11.375 -11.338 4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.620 -13.193 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.267 -12.073 1.690 1.00 0.00 H new