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 151:sc= 1.3 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot -174:sc= 0.923 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 172:sc= 0.466 (180deg=0.0519) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 15 TYR OH : rot -165:sc= 0.514 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 25 GLN :FLIP amide:sc=-0.000745 F(o=-1.2,f=-0.00075) USER MOD Single : A 29 SER OG : rot 72:sc= 0.799 USER MOD Single : A 30 MET CE :methyl -166:sc= -1.13 (180deg=-1.47) USER MOD Single : A 51 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.464 K(o=0.46,f=-3.1!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 10.668 -7.496 -8.159 1.00 0.00 N ATOM 89 CA SER A 7 11.675 -7.926 -7.205 1.00 0.00 C ATOM 90 C SER A 7 11.032 -8.585 -5.986 1.00 0.00 C ATOM 91 O SER A 7 10.965 -9.810 -5.898 1.00 0.00 O ATOM 92 CB SER A 7 12.548 -6.738 -6.782 1.00 0.00 C ATOM 93 OG SER A 7 13.539 -7.126 -5.845 1.00 0.00 O ATOM 0 HA SER A 7 12.309 -8.669 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.027 -6.306 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.920 -5.961 -6.347 1.00 0.00 H new ATOM 0 HG SER A 7 14.079 -6.346 -5.598 1.00 0.00 H new ATOM 99 N ARG A 8 10.537 -7.773 -5.061 1.00 0.00 N ATOM 100 CA ARG A 8 9.989 -8.281 -3.814 1.00 0.00 C ATOM 101 C ARG A 8 8.499 -7.993 -3.702 1.00 0.00 C ATOM 102 O ARG A 8 7.987 -7.041 -4.297 1.00 0.00 O ATOM 103 CB ARG A 8 10.743 -7.676 -2.626 1.00 0.00 C ATOM 104 CG ARG A 8 12.083 -8.344 -2.361 1.00 0.00 C ATOM 105 CD ARG A 8 12.997 -7.487 -1.497 1.00 0.00 C ATOM 106 NE ARG A 8 12.334 -6.980 -0.295 1.00 0.00 N ATOM 107 CZ ARG A 8 12.466 -7.515 0.919 1.00 0.00 C ATOM 108 NH1 ARG A 8 13.161 -8.635 1.087 1.00 0.00 N ATOM 109 NH2 ARG A 8 11.904 -6.921 1.964 1.00 0.00 N ATOM 0 H ARG A 8 10.505 -6.758 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 8 10.116 -9.363 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.904 -6.614 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.123 -7.754 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.917 -9.303 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.576 -8.553 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.868 -8.074 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.362 -6.646 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 8 11.731 -6.163 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.597 -9.090 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.259 -9.040 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.374 -6.059 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.002 -7.326 2.895 1.00 0.00 H new ATOM 123 N SER A 9 7.807 -8.836 -2.955 1.00 0.00 N ATOM 124 CA SER A 9 6.386 -8.668 -2.717 1.00 0.00 C ATOM 125 C SER A 9 6.127 -8.442 -1.228 1.00 0.00 C ATOM 126 O SER A 9 6.813 -9.013 -0.376 1.00 0.00 O ATOM 127 CB SER A 9 5.635 -9.898 -3.220 1.00 0.00 C ATOM 128 OG SER A 9 6.071 -10.239 -4.526 1.00 0.00 O ATOM 0 H SER A 9 8.213 -9.653 -2.499 1.00 0.00 H new ATOM 0 HA SER A 9 6.027 -7.794 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.801 -10.736 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.563 -9.701 -3.227 1.00 0.00 H new ATOM 0 HG SER A 9 5.584 -11.030 -4.837 1.00 0.00 H new ATOM 134 N TYR A 10 5.155 -7.600 -0.918 1.00 0.00 N ATOM 135 CA TYR A 10 4.879 -7.235 0.463 1.00 0.00 C ATOM 136 C TYR A 10 3.404 -7.417 0.787 1.00 0.00 C ATOM 137 O TYR A 10 2.537 -7.113 -0.031 1.00 0.00 O ATOM 138 CB TYR A 10 5.277 -5.779 0.716 1.00 0.00 C ATOM 139 CG TYR A 10 6.742 -5.496 0.474 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.692 -5.808 1.436 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.175 -4.922 -0.718 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.032 -5.558 1.222 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.516 -4.668 -0.940 1.00 0.00 C ATOM 144 CZ TYR A 10 9.439 -4.988 0.034 1.00 0.00 C ATOM 145 OH TYR A 10 10.776 -4.745 -0.180 1.00 0.00 O ATOM 0 H TYR A 10 4.544 -7.156 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 10 5.466 -7.890 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.681 -5.132 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.032 -5.519 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.377 -6.254 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.453 -4.671 -1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.759 -5.807 1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.838 -4.222 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 10 10.898 -4.342 -1.065 1.00 0.00 H new ATOM 155 N ARG A 11 3.133 -7.920 1.981 1.00 0.00 N ATOM 156 CA ARG A 11 1.769 -8.056 2.472 1.00 0.00 C ATOM 157 C ARG A 11 1.306 -6.742 3.078 1.00 0.00 C ATOM 158 O ARG A 11 2.116 -5.977 3.601 1.00 0.00 O ATOM 159 CB ARG A 11 1.688 -9.113 3.573 1.00 0.00 C ATOM 160 CG ARG A 11 2.291 -10.460 3.228 1.00 0.00 C ATOM 161 CD ARG A 11 1.357 -11.295 2.370 1.00 0.00 C ATOM 162 NE ARG A 11 1.760 -12.696 2.354 1.00 0.00 N ATOM 163 CZ ARG A 11 1.099 -13.659 1.721 1.00 0.00 C ATOM 164 NH1 ARG A 11 0.000 -13.370 1.034 1.00 0.00 N ATOM 165 NH2 ARG A 11 1.541 -14.909 1.783 1.00 0.00 N ATOM 0 H ARG A 11 3.846 -8.244 2.634 1.00 0.00 H new ATOM 0 HA ARG A 11 1.143 -8.344 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.188 -8.727 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.640 -9.260 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.233 -10.312 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.521 -11.001 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.339 -11.212 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.350 -10.905 1.352 1.00 0.00 H new ATOM 0 HE ARG A 11 2.606 -12.954 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.337 -12.408 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.507 -14.110 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.384 -15.126 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.038 -15.653 1.299 1.00 0.00 H new ATOM 179 N ILE A 12 0.013 -6.491 3.023 1.00 0.00 N ATOM 180 CA ILE A 12 -0.563 -5.383 3.767 1.00 0.00 C ATOM 181 C ILE A 12 -1.264 -5.932 5.002 1.00 0.00 C ATOM 182 O ILE A 12 -2.261 -6.644 4.886 1.00 0.00 O ATOM 183 CB ILE A 12 -1.594 -4.577 2.939 1.00 0.00 C ATOM 184 CG1 ILE A 12 -0.983 -4.076 1.630 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.133 -3.408 3.756 1.00 0.00 C ATOM 186 CD1 ILE A 12 -1.938 -3.245 0.798 1.00 0.00 C ATOM 0 H ILE A 12 -0.656 -7.033 2.476 1.00 0.00 H new ATOM 0 HA ILE A 12 0.253 -4.710 4.030 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.420 -5.243 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.098 -3.481 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.651 -4.932 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.856 -2.851 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.618 -3.786 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.310 -2.750 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.439 -2.923 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.813 -3.843 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.251 -2.370 1.368 1.00 0.00 H new ATOM 198 N THR A 13 -0.742 -5.622 6.177 1.00 0.00 N ATOM 199 CA THR A 13 -1.342 -6.102 7.411 1.00 0.00 C ATOM 200 C THR A 13 -2.378 -5.117 7.936 1.00 0.00 C ATOM 201 O THR A 13 -3.150 -5.430 8.844 1.00 0.00 O ATOM 202 CB THR A 13 -0.278 -6.367 8.489 1.00 0.00 C ATOM 203 OG1 THR A 13 0.691 -5.311 8.502 1.00 0.00 O ATOM 204 CG2 THR A 13 0.412 -7.698 8.246 1.00 0.00 C ATOM 0 H THR A 13 0.089 -5.045 6.303 1.00 0.00 H new ATOM 0 HA THR A 13 -1.839 -7.044 7.180 1.00 0.00 H new ATOM 0 HB THR A 13 -0.776 -6.404 9.458 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.362 -5.491 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.161 -7.866 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.325 -8.500 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.896 -7.684 7.269 1.00 0.00 H new ATOM 212 N GLY A 14 -2.399 -3.923 7.363 1.00 0.00 N ATOM 213 CA GLY A 14 -3.379 -2.943 7.760 1.00 0.00 C ATOM 214 C GLY A 14 -2.983 -1.547 7.356 1.00 0.00 C ATOM 215 O GLY A 14 -2.171 -1.362 6.446 1.00 0.00 O ATOM 0 H GLY A 14 -1.755 -3.619 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.341 -3.191 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.513 -2.983 8.841 1.00 0.00 H new ATOM 219 N TYR A 15 -3.549 -0.567 8.029 1.00 0.00 N ATOM 220 CA TYR A 15 -3.263 0.823 7.731 1.00 0.00 C ATOM 221 C TYR A 15 -2.563 1.461 8.916 1.00 0.00 C ATOM 222 O TYR A 15 -2.782 1.064 10.062 1.00 0.00 O ATOM 223 CB TYR A 15 -4.552 1.582 7.416 1.00 0.00 C ATOM 224 CG TYR A 15 -5.388 0.949 6.324 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.255 -0.102 6.606 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.316 1.405 5.013 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.019 -0.682 5.613 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.080 0.829 4.016 1.00 0.00 C ATOM 229 CZ TYR A 15 -6.929 -0.211 4.323 1.00 0.00 C ATOM 230 OH TYR A 15 -7.695 -0.782 3.336 1.00 0.00 O ATOM 0 H TYR A 15 -4.213 -0.707 8.790 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.614 0.869 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.151 1.652 8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.299 2.601 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.332 -0.470 7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.653 2.222 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.683 -1.501 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.012 1.192 3.001 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.354 -0.510 2.459 1.00 0.00 H new ATOM 240 N SER A 16 -1.728 2.439 8.638 1.00 0.00 N ATOM 241 CA SER A 16 -0.988 3.123 9.669 1.00 0.00 C ATOM 242 C SER A 16 -1.913 4.022 10.480 1.00 0.00 C ATOM 243 O SER A 16 -2.788 4.686 9.924 1.00 0.00 O ATOM 244 CB SER A 16 0.124 3.940 9.027 1.00 0.00 C ATOM 245 OG SER A 16 1.009 3.100 8.303 1.00 0.00 O ATOM 0 H SER A 16 -1.545 2.779 7.694 1.00 0.00 H new ATOM 0 HA SER A 16 -0.551 2.391 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.306 4.686 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.675 4.481 9.796 1.00 0.00 H new ATOM 0 HG SER A 16 1.402 3.603 7.559 1.00 0.00 H new ATOM 251 N PRO A 17 -1.740 4.029 11.809 1.00 0.00 N ATOM 252 CA PRO A 17 -2.531 4.868 12.710 1.00 0.00 C ATOM 253 C PRO A 17 -2.519 6.341 12.301 1.00 0.00 C ATOM 254 O PRO A 17 -1.598 6.799 11.613 1.00 0.00 O ATOM 255 CB PRO A 17 -1.846 4.676 14.064 1.00 0.00 C ATOM 256 CG PRO A 17 -1.198 3.342 13.972 1.00 0.00 C ATOM 257 CD PRO A 17 -0.769 3.197 12.542 1.00 0.00 C ATOM 0 HA PRO A 17 -3.584 4.588 12.708 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.113 5.460 14.252 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.567 4.711 14.881 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.344 3.274 14.646 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.891 2.550 14.255 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.253 3.545 12.392 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.803 2.158 12.216 1.00 0.00 H new ATOM 265 N ALA A 18 -3.557 7.057 12.733 1.00 0.00 N ATOM 266 CA ALA A 18 -3.765 8.468 12.401 1.00 0.00 C ATOM 267 C ALA A 18 -4.250 8.633 10.966 1.00 0.00 C ATOM 268 O ALA A 18 -4.270 9.742 10.430 1.00 0.00 O ATOM 269 CB ALA A 18 -2.511 9.295 12.653 1.00 0.00 C ATOM 0 H ALA A 18 -4.287 6.669 13.331 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.545 8.844 13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.704 10.336 12.395 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.236 9.227 13.705 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.695 8.914 12.039 1.00 0.00 H new ATOM 275 N ILE A 19 -4.655 7.530 10.354 1.00 0.00 N ATOM 276 CA ILE A 19 -5.201 7.563 9.006 1.00 0.00 C ATOM 277 C ILE A 19 -6.693 7.910 9.048 1.00 0.00 C ATOM 278 O ILE A 19 -7.397 7.559 9.998 1.00 0.00 O ATOM 279 CB ILE A 19 -4.994 6.211 8.273 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.382 6.335 6.796 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.804 5.101 8.940 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.117 5.084 5.989 1.00 0.00 C ATOM 0 H ILE A 19 -4.616 6.600 10.771 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.665 8.333 8.451 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.937 5.951 8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.441 6.583 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.831 7.165 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.643 4.163 8.408 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.485 4.990 9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.863 5.356 8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.417 5.248 4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.054 4.846 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.689 4.255 6.405 1.00 0.00 H new ATOM 294 N SER A 20 -7.167 8.617 8.035 1.00 0.00 N ATOM 295 CA SER A 20 -8.573 8.978 7.950 1.00 0.00 C ATOM 296 C SER A 20 -9.405 7.757 7.557 1.00 0.00 C ATOM 297 O SER A 20 -8.989 6.956 6.714 1.00 0.00 O ATOM 298 CB SER A 20 -8.755 10.106 6.931 1.00 0.00 C ATOM 299 OG SER A 20 -10.074 10.621 6.952 1.00 0.00 O ATOM 0 H SER A 20 -6.597 8.953 7.258 1.00 0.00 H new ATOM 0 HA SER A 20 -8.915 9.327 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.048 10.907 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.525 9.735 5.932 1.00 0.00 H new ATOM 0 HG SER A 20 -10.155 11.340 6.291 1.00 0.00 H new ATOM 305 N ASN A 21 -10.578 7.619 8.169 1.00 0.00 N ATOM 306 CA ASN A 21 -11.446 6.468 7.925 1.00 0.00 C ATOM 307 C ASN A 21 -11.885 6.417 6.466 1.00 0.00 C ATOM 308 O ASN A 21 -11.765 5.384 5.808 1.00 0.00 O ATOM 309 CB ASN A 21 -12.682 6.523 8.828 1.00 0.00 C ATOM 310 CG ASN A 21 -13.545 5.281 8.698 1.00 0.00 C ATOM 311 OD1 ASN A 21 -13.039 4.167 8.550 1.00 0.00 O ATOM 312 ND2 ASN A 21 -14.855 5.463 8.737 1.00 0.00 N ATOM 0 H ASN A 21 -10.951 8.291 8.839 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.875 5.568 8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.367 6.637 9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.274 7.403 8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.484 4.665 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.236 6.401 8.861 1.00 0.00 H new ATOM 319 N GLY A 22 -12.379 7.541 5.961 1.00 0.00 N ATOM 320 CA GLY A 22 -12.840 7.603 4.586 1.00 0.00 C ATOM 321 C GLY A 22 -11.718 7.388 3.592 1.00 0.00 C ATOM 322 O GLY A 22 -11.935 6.843 2.511 1.00 0.00 O ATOM 0 H GLY A 22 -12.469 8.414 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.610 6.848 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.303 8.573 4.404 1.00 0.00 H new ATOM 326 N TYR A 23 -10.513 7.805 3.961 1.00 0.00 N ATOM 327 CA TYR A 23 -9.347 7.623 3.104 1.00 0.00 C ATOM 328 C TYR A 23 -8.948 6.155 3.097 1.00 0.00 C ATOM 329 O TYR A 23 -8.548 5.612 2.072 1.00 0.00 O ATOM 330 CB TYR A 23 -8.185 8.493 3.590 1.00 0.00 C ATOM 331 CG TYR A 23 -7.103 8.719 2.553 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.344 9.516 1.441 1.00 0.00 C ATOM 333 CD2 TYR A 23 -5.838 8.158 2.695 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.359 9.748 0.501 1.00 0.00 C ATOM 335 CE2 TYR A 23 -4.850 8.385 1.755 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.117 9.180 0.663 1.00 0.00 C ATOM 337 OH TYR A 23 -4.134 9.425 -0.265 1.00 0.00 O ATOM 0 H TYR A 23 -10.317 8.271 4.847 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.597 7.930 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.577 9.460 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.739 8.027 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.319 9.962 1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.625 7.536 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.563 10.372 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.873 7.941 1.877 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.347 8.878 -0.060 1.00 0.00 H new ATOM 347 N ARG A 24 -9.079 5.524 4.255 1.00 0.00 N ATOM 348 CA ARG A 24 -8.886 4.088 4.391 1.00 0.00 C ATOM 349 C ARG A 24 -9.862 3.350 3.487 1.00 0.00 C ATOM 350 O ARG A 24 -9.496 2.394 2.809 1.00 0.00 O ATOM 351 CB ARG A 24 -9.121 3.692 5.851 1.00 0.00 C ATOM 352 CG ARG A 24 -8.823 2.241 6.160 1.00 0.00 C ATOM 353 CD ARG A 24 -9.566 1.767 7.402 1.00 0.00 C ATOM 354 NE ARG A 24 -9.398 2.668 8.548 1.00 0.00 N ATOM 355 CZ ARG A 24 -9.541 2.284 9.821 1.00 0.00 C ATOM 356 NH1 ARG A 24 -9.755 1.007 10.112 1.00 0.00 N ATOM 357 NH2 ARG A 24 -9.457 3.174 10.805 1.00 0.00 N ATOM 0 H ARG A 24 -9.322 5.994 5.127 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.870 3.822 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.502 4.322 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.159 3.900 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.105 1.622 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.750 2.113 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.627 1.675 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.212 0.773 7.673 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.159 3.642 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.811 0.316 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.864 0.717 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.283 4.156 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.567 2.875 11.774 1.00 0.00 H new ATOM 371 N GLN A 25 -11.102 3.820 3.477 1.00 0.00 N ATOM 372 CA GLN A 25 -12.130 3.253 2.629 1.00 0.00 C ATOM 373 C GLN A 25 -11.801 3.495 1.163 1.00 0.00 C ATOM 374 O GLN A 25 -11.999 2.623 0.321 1.00 0.00 O ATOM 375 CB GLN A 25 -13.481 3.868 2.971 1.00 0.00 C ATOM 376 CG GLN A 25 -13.983 3.519 4.363 1.00 0.00 C ATOM 377 CD GLN A 25 -15.351 4.108 4.652 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.656 5.238 4.032 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.130 3.548 5.425 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.418 4.600 4.054 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.174 2.178 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.408 4.952 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.216 3.537 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.028 2.435 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.271 3.882 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.857 2.678 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.048 3.954 5.607 1.00 0.00 H new ATOM 388 N ARG A 26 -11.279 4.680 0.874 1.00 0.00 N ATOM 389 CA ARG A 26 -10.881 5.037 -0.479 1.00 0.00 C ATOM 390 C ARG A 26 -9.753 4.127 -0.948 1.00 0.00 C ATOM 391 O ARG A 26 -9.720 3.700 -2.102 1.00 0.00 O ATOM 392 CB ARG A 26 -10.424 6.499 -0.527 1.00 0.00 C ATOM 393 CG ARG A 26 -10.456 7.102 -1.920 1.00 0.00 C ATOM 394 CD ARG A 26 -11.885 7.264 -2.404 1.00 0.00 C ATOM 395 NE ARG A 26 -11.951 7.817 -3.755 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.665 8.894 -4.083 1.00 0.00 C ATOM 397 NH1 ARG A 26 -13.302 9.586 -3.143 1.00 0.00 N ATOM 398 NH2 ARG A 26 -12.716 9.300 -5.346 1.00 0.00 N ATOM 0 H ARG A 26 -11.121 5.414 1.565 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.738 4.912 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.060 7.091 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.409 6.567 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.957 8.071 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.904 6.464 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.385 6.296 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.427 7.916 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.419 7.351 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.245 9.293 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.847 10.410 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.208 8.788 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.263 10.124 -5.595 1.00 0.00 H new ATOM 412 N LEU A 27 -8.835 3.825 -0.037 1.00 0.00 N ATOM 413 CA LEU A 27 -7.732 2.922 -0.329 1.00 0.00 C ATOM 414 C LEU A 27 -8.265 1.517 -0.566 1.00 0.00 C ATOM 415 O LEU A 27 -7.876 0.844 -1.523 1.00 0.00 O ATOM 416 CB LEU A 27 -6.727 2.925 0.830 1.00 0.00 C ATOM 417 CG LEU A 27 -5.977 4.244 1.050 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.108 4.161 2.293 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.131 4.589 -0.163 1.00 0.00 C ATOM 0 H LEU A 27 -8.835 4.195 0.914 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.222 3.261 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.257 2.671 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.995 2.136 0.656 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.713 5.035 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.583 5.106 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.735 3.961 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.382 3.356 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.607 5.528 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.404 3.796 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.773 4.691 -1.038 1.00 0.00 H new ATOM 431 N PHE A 28 -9.174 1.099 0.305 1.00 0.00 N ATOM 432 CA PHE A 28 -9.838 -0.195 0.187 1.00 0.00 C ATOM 433 C PHE A 28 -10.515 -0.321 -1.177 1.00 0.00 C ATOM 434 O PHE A 28 -10.357 -1.328 -1.871 1.00 0.00 O ATOM 435 CB PHE A 28 -10.880 -0.339 1.299 1.00 0.00 C ATOM 436 CG PHE A 28 -11.335 -1.751 1.542 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.227 -2.367 0.681 1.00 0.00 C ATOM 438 CD2 PHE A 28 -10.870 -2.459 2.638 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.648 -3.664 0.908 1.00 0.00 C ATOM 440 CE2 PHE A 28 -11.288 -3.754 2.870 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.176 -4.357 2.003 1.00 0.00 C ATOM 0 H PHE A 28 -9.472 1.646 1.113 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.094 -0.986 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.464 0.061 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.747 0.272 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -12.598 -1.828 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.173 -1.993 3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.345 -4.133 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.920 -4.295 3.729 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.501 -5.371 2.182 1.00 0.00 H new ATOM 451 N SER A 29 -11.255 0.717 -1.555 1.00 0.00 N ATOM 452 CA SER A 29 -11.954 0.747 -2.831 1.00 0.00 C ATOM 453 C SER A 29 -10.976 0.646 -3.996 1.00 0.00 C ATOM 454 O SER A 29 -11.274 0.027 -5.017 1.00 0.00 O ATOM 455 CB SER A 29 -12.767 2.035 -2.953 1.00 0.00 C ATOM 456 OG SER A 29 -13.724 2.137 -1.912 1.00 0.00 O ATOM 0 H SER A 29 -11.385 1.555 -0.988 1.00 0.00 H new ATOM 0 HA SER A 29 -12.624 -0.112 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.098 2.895 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.272 2.059 -3.919 1.00 0.00 H new ATOM 0 HG SER A 29 -13.267 2.322 -1.065 1.00 0.00 H new ATOM 462 N MET A 30 -9.808 1.245 -3.831 1.00 0.00 N ATOM 463 CA MET A 30 -8.803 1.255 -4.886 1.00 0.00 C ATOM 464 C MET A 30 -8.042 -0.069 -4.956 1.00 0.00 C ATOM 465 O MET A 30 -7.363 -0.353 -5.945 1.00 0.00 O ATOM 466 CB MET A 30 -7.832 2.422 -4.694 1.00 0.00 C ATOM 467 CG MET A 30 -8.418 3.767 -5.092 1.00 0.00 C ATOM 468 SD MET A 30 -7.199 5.098 -5.082 1.00 0.00 S ATOM 469 CE MET A 30 -6.761 5.156 -3.345 1.00 0.00 C ATOM 0 H MET A 30 -9.531 1.731 -2.978 1.00 0.00 H new ATOM 0 HA MET A 30 -9.325 1.385 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.526 2.462 -3.649 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.933 2.237 -5.282 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.853 3.687 -6.088 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.230 4.020 -4.410 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.215 6.076 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.667 5.128 -2.740 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.134 4.299 -3.099 1.00 0.00 H new ATOM 479 N GLY A 31 -8.163 -0.878 -3.913 1.00 0.00 N ATOM 480 CA GLY A 31 -7.552 -2.196 -3.932 1.00 0.00 C ATOM 481 C GLY A 31 -6.443 -2.349 -2.914 1.00 0.00 C ATOM 482 O GLY A 31 -5.758 -3.370 -2.883 1.00 0.00 O ATOM 0 H GLY A 31 -8.670 -0.649 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.318 -2.948 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.153 -2.391 -4.927 1.00 0.00 H new ATOM 486 N LEU A 32 -6.268 -1.341 -2.079 1.00 0.00 N ATOM 487 CA LEU A 32 -5.254 -1.386 -1.040 1.00 0.00 C ATOM 488 C LEU A 32 -5.896 -1.751 0.292 1.00 0.00 C ATOM 489 O LEU A 32 -6.305 -0.879 1.057 1.00 0.00 O ATOM 490 CB LEU A 32 -4.527 -0.042 -0.937 1.00 0.00 C ATOM 491 CG LEU A 32 -3.834 0.421 -2.222 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.247 1.810 -2.038 1.00 0.00 C ATOM 493 CD2 LEU A 32 -2.748 -0.567 -2.628 1.00 0.00 C ATOM 0 H LEU A 32 -6.815 -0.480 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.519 -2.148 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.245 0.720 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.782 -0.109 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.577 0.463 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.758 2.124 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.044 2.512 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.517 1.792 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.266 -0.222 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.006 -0.640 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.193 -1.547 -2.800 1.00 0.00 H new ATOM 505 N LEU A 33 -6.013 -3.047 0.544 1.00 0.00 N ATOM 506 CA LEU A 33 -6.660 -3.538 1.748 1.00 0.00 C ATOM 507 C LEU A 33 -5.783 -4.568 2.451 1.00 0.00 C ATOM 508 O LEU A 33 -4.911 -5.179 1.829 1.00 0.00 O ATOM 509 CB LEU A 33 -8.021 -4.160 1.412 1.00 0.00 C ATOM 510 CG LEU A 33 -7.994 -5.412 0.523 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.259 -6.232 0.731 1.00 0.00 C ATOM 512 CD2 LEU A 33 -7.861 -5.033 -0.944 1.00 0.00 C ATOM 0 H LEU A 33 -5.665 -3.780 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.812 -2.691 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.521 -4.414 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.631 -3.403 0.919 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.128 -6.010 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.228 -7.117 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.327 -6.538 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.130 -5.630 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.844 -5.937 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.708 -4.413 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.935 -4.477 -1.094 1.00 0.00 H new ATOM 524 N PRO A 34 -5.997 -4.771 3.761 1.00 0.00 N ATOM 525 CA PRO A 34 -5.264 -5.777 4.532 1.00 0.00 C ATOM 526 C PRO A 34 -5.504 -7.183 3.991 1.00 0.00 C ATOM 527 O PRO A 34 -6.649 -7.633 3.885 1.00 0.00 O ATOM 528 CB PRO A 34 -5.829 -5.643 5.950 1.00 0.00 C ATOM 529 CG PRO A 34 -7.126 -4.924 5.792 1.00 0.00 C ATOM 530 CD PRO A 34 -6.966 -4.037 4.594 1.00 0.00 C ATOM 0 HA PRO A 34 -4.186 -5.623 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.975 -6.621 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.147 -5.087 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.947 -5.627 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.358 -4.339 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.912 -3.887 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.594 -3.050 4.870 1.00 0.00 H new ATOM 538 N GLY A 35 -4.424 -7.868 3.645 1.00 0.00 N ATOM 539 CA GLY A 35 -4.533 -9.185 3.053 1.00 0.00 C ATOM 540 C GLY A 35 -4.092 -9.190 1.602 1.00 0.00 C ATOM 541 O GLY A 35 -3.802 -10.244 1.036 1.00 0.00 O ATOM 0 H GLY A 35 -3.468 -7.532 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.925 -9.890 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.565 -9.529 3.120 1.00 0.00 H new ATOM 545 N ALA A 36 -4.031 -8.005 1.004 1.00 0.00 N ATOM 546 CA ALA A 36 -3.617 -7.866 -0.380 1.00 0.00 C ATOM 547 C ALA A 36 -2.116 -7.628 -0.459 1.00 0.00 C ATOM 548 O ALA A 36 -1.615 -6.600 -0.020 1.00 0.00 O ATOM 549 CB ALA A 36 -4.373 -6.729 -1.052 1.00 0.00 C ATOM 0 H ALA A 36 -4.265 -7.125 1.463 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.851 -8.791 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.049 -6.640 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.443 -6.936 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.169 -5.796 -0.527 1.00 0.00 H new ATOM 555 N ALA A 37 -1.404 -8.606 -0.979 1.00 0.00 N ATOM 556 CA ALA A 37 0.032 -8.493 -1.168 1.00 0.00 C ATOM 557 C ALA A 37 0.354 -7.923 -2.543 1.00 0.00 C ATOM 558 O ALA A 37 -0.162 -8.397 -3.559 1.00 0.00 O ATOM 559 CB ALA A 37 0.693 -9.847 -0.987 1.00 0.00 C ATOM 0 H ALA A 37 -1.798 -9.497 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 37 0.425 -7.808 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.769 -9.749 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.494 -10.218 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.291 -10.549 -1.718 1.00 0.00 H new ATOM 565 N LEU A 38 1.189 -6.894 -2.565 1.00 0.00 N ATOM 566 CA LEU A 38 1.613 -6.271 -3.810 1.00 0.00 C ATOM 567 C LEU A 38 3.034 -6.683 -4.156 1.00 0.00 C ATOM 568 O LEU A 38 3.884 -6.839 -3.279 1.00 0.00 O ATOM 569 CB LEU A 38 1.545 -4.739 -3.720 1.00 0.00 C ATOM 570 CG LEU A 38 0.152 -4.129 -3.526 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.835 -4.696 -4.533 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.347 -4.329 -2.102 1.00 0.00 C ATOM 0 H LEU A 38 1.589 -6.470 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 38 0.931 -6.610 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.177 -4.417 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.976 -4.324 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 38 0.234 -3.056 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.815 -4.247 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.493 -4.472 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.905 -5.776 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.337 -3.885 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.402 -5.395 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.341 -3.850 -1.405 1.00 0.00 H new ATOM 584 N ARG A 39 3.278 -6.856 -5.438 1.00 0.00 N ATOM 585 CA ARG A 39 4.605 -7.177 -5.937 1.00 0.00 C ATOM 586 C ARG A 39 5.209 -5.944 -6.591 1.00 0.00 C ATOM 587 O ARG A 39 4.597 -5.359 -7.476 1.00 0.00 O ATOM 588 CB ARG A 39 4.519 -8.336 -6.937 1.00 0.00 C ATOM 589 CG ARG A 39 5.795 -8.570 -7.731 1.00 0.00 C ATOM 590 CD ARG A 39 5.659 -9.774 -8.651 1.00 0.00 C ATOM 591 NE ARG A 39 5.643 -11.031 -7.904 1.00 0.00 N ATOM 592 CZ ARG A 39 4.729 -11.988 -8.060 1.00 0.00 C ATOM 593 NH1 ARG A 39 3.699 -11.816 -8.882 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.834 -13.111 -7.361 1.00 0.00 N ATOM 0 H ARG A 39 2.566 -6.779 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 39 5.245 -7.485 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.268 -9.249 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.702 -8.142 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.027 -7.683 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.629 -8.725 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.741 -9.685 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.486 -9.784 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 39 6.381 -11.186 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.602 -10.944 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.006 -12.556 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.610 -13.236 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.139 -13.849 -7.474 1.00 0.00 H new ATOM 608 N VAL A 40 6.389 -5.530 -6.148 1.00 0.00 N ATOM 609 CA VAL A 40 7.017 -4.338 -6.704 1.00 0.00 C ATOM 610 C VAL A 40 7.409 -4.574 -8.162 1.00 0.00 C ATOM 611 O VAL A 40 8.066 -5.562 -8.494 1.00 0.00 O ATOM 612 CB VAL A 40 8.243 -3.890 -5.867 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.450 -4.784 -6.098 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.581 -2.438 -6.159 1.00 0.00 C ATOM 0 H VAL A 40 6.925 -5.995 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 40 6.287 -3.529 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 40 7.974 -3.984 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.285 -4.432 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.203 -5.808 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.729 -4.754 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.444 -2.138 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.814 -2.324 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.729 -1.808 -5.905 1.00 0.00 H new ATOM 624 N VAL A 41 6.950 -3.694 -9.040 1.00 0.00 N ATOM 625 CA VAL A 41 7.230 -3.833 -10.463 1.00 0.00 C ATOM 626 C VAL A 41 8.289 -2.833 -10.927 1.00 0.00 C ATOM 627 O VAL A 41 9.152 -3.169 -11.739 1.00 0.00 O ATOM 628 CB VAL A 41 5.951 -3.654 -11.308 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.209 -4.003 -12.757 1.00 0.00 C ATOM 630 CG2 VAL A 41 4.821 -4.501 -10.756 1.00 0.00 C ATOM 0 H VAL A 41 6.385 -2.881 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 41 7.613 -4.843 -10.610 1.00 0.00 H new ATOM 0 HB VAL A 41 5.657 -2.606 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.293 -3.869 -13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.986 -3.351 -13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.534 -5.041 -12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.929 -4.360 -11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.111 -5.552 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.610 -4.201 -9.730 1.00 0.00 H new ATOM 640 N ARG A 42 8.228 -1.608 -10.415 1.00 0.00 N ATOM 641 CA ARG A 42 9.206 -0.584 -10.786 1.00 0.00 C ATOM 642 C ARG A 42 9.278 0.511 -9.723 1.00 0.00 C ATOM 643 O ARG A 42 8.276 1.162 -9.427 1.00 0.00 O ATOM 644 CB ARG A 42 8.848 0.052 -12.133 1.00 0.00 C ATOM 645 CG ARG A 42 9.978 0.884 -12.724 1.00 0.00 C ATOM 646 CD ARG A 42 9.470 1.896 -13.740 1.00 0.00 C ATOM 647 NE ARG A 42 8.677 1.283 -14.808 1.00 0.00 N ATOM 648 CZ ARG A 42 8.098 1.979 -15.790 1.00 0.00 C ATOM 649 NH1 ARG A 42 8.294 3.286 -15.884 1.00 0.00 N ATOM 650 NH2 ARG A 42 7.343 1.368 -16.695 1.00 0.00 N ATOM 0 H ARG A 42 7.520 -1.299 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 42 10.176 -1.075 -10.865 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.578 -0.734 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.969 0.683 -12.007 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.501 1.406 -11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.703 0.224 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.864 2.644 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.319 2.419 -14.180 1.00 0.00 H new ATOM 0 HE ARG A 42 8.561 0.270 -14.801 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.888 3.763 -15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.851 3.815 -16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.201 0.359 -16.644 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.905 1.907 -17.442 1.00 0.00 H new ATOM 664 N ILE A 43 10.462 0.718 -9.163 1.00 0.00 N ATOM 665 CA ILE A 43 10.667 1.758 -8.157 1.00 0.00 C ATOM 666 C ILE A 43 11.241 3.010 -8.810 1.00 0.00 C ATOM 667 O ILE A 43 12.208 2.929 -9.565 1.00 0.00 O ATOM 668 CB ILE A 43 11.638 1.316 -7.030 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.221 -0.024 -6.415 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.722 2.386 -5.944 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.710 -1.234 -7.186 1.00 0.00 C ATOM 0 H ILE A 43 11.299 0.179 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 43 9.691 1.956 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 43 12.622 1.186 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.601 -0.078 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.133 -0.061 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.407 2.058 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.085 3.317 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.733 2.547 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.374 -2.143 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.309 -1.206 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.799 -1.224 -7.227 1.00 0.00 H new ATOM 683 N ALA A 44 10.640 4.157 -8.531 1.00 0.00 N ATOM 684 CA ALA A 44 11.172 5.421 -9.010 1.00 0.00 C ATOM 685 C ALA A 44 12.392 5.814 -8.182 1.00 0.00 C ATOM 686 O ALA A 44 12.360 5.744 -6.952 1.00 0.00 O ATOM 687 CB ALA A 44 10.109 6.511 -8.953 1.00 0.00 C ATOM 0 H ALA A 44 9.787 4.237 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 44 11.474 5.303 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.530 7.449 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.262 6.227 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.773 6.639 -7.924 1.00 0.00 H new ATOM 693 N PRO A 45 13.478 6.256 -8.844 1.00 0.00 N ATOM 694 CA PRO A 45 14.755 6.565 -8.179 1.00 0.00 C ATOM 695 C PRO A 45 14.660 7.730 -7.190 1.00 0.00 C ATOM 696 O PRO A 45 15.628 8.052 -6.505 1.00 0.00 O ATOM 697 CB PRO A 45 15.691 6.938 -9.338 1.00 0.00 C ATOM 698 CG PRO A 45 15.033 6.406 -10.564 1.00 0.00 C ATOM 699 CD PRO A 45 13.559 6.472 -10.296 1.00 0.00 C ATOM 0 HA PRO A 45 15.096 5.719 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.827 8.018 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.680 6.500 -9.201 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.299 6.999 -11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.349 5.382 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.139 7.435 -10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.013 5.707 -10.849 1.00 0.00 H new ATOM 707 N LEU A 46 13.497 8.360 -7.121 1.00 0.00 N ATOM 708 CA LEU A 46 13.293 9.496 -6.229 1.00 0.00 C ATOM 709 C LEU A 46 12.719 9.046 -4.888 1.00 0.00 C ATOM 710 O LEU A 46 12.833 9.756 -3.884 1.00 0.00 O ATOM 711 CB LEU A 46 12.347 10.527 -6.864 1.00 0.00 C ATOM 712 CG LEU A 46 12.902 11.312 -8.059 1.00 0.00 C ATOM 713 CD1 LEU A 46 12.999 10.437 -9.300 1.00 0.00 C ATOM 714 CD2 LEU A 46 12.033 12.527 -8.338 1.00 0.00 C ATOM 0 H LEU A 46 12.678 8.105 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 46 14.267 9.956 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.443 10.010 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.051 11.240 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 46 13.908 11.644 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.396 11.024 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.662 9.595 -9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.008 10.064 -9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.437 13.076 -9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.017 12.203 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.020 13.174 -7.461 1.00 0.00 H new ATOM 726 N GLY A 47 12.111 7.867 -4.873 1.00 0.00 N ATOM 727 CA GLY A 47 11.393 7.415 -3.694 1.00 0.00 C ATOM 728 C GLY A 47 9.918 7.731 -3.810 1.00 0.00 C ATOM 729 O GLY A 47 9.088 7.196 -3.075 1.00 0.00 O ATOM 0 H GLY A 47 12.101 7.214 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.531 6.341 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.804 7.895 -2.806 1.00 0.00 H new ATOM 733 N ASP A 48 9.615 8.633 -4.734 1.00 0.00 N ATOM 734 CA ASP A 48 8.248 8.945 -5.121 1.00 0.00 C ATOM 735 C ASP A 48 7.646 7.761 -5.873 1.00 0.00 C ATOM 736 O ASP A 48 8.379 6.835 -6.213 1.00 0.00 O ATOM 737 CB ASP A 48 8.212 10.245 -5.930 1.00 0.00 C ATOM 738 CG ASP A 48 7.662 11.398 -5.108 1.00 0.00 C ATOM 739 OD1 ASP A 48 6.422 11.537 -5.026 1.00 0.00 O ATOM 740 OD2 ASP A 48 8.458 12.168 -4.535 1.00 0.00 O ATOM 0 H ASP A 48 10.318 9.172 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 48 7.635 9.111 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.217 10.489 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.597 10.105 -6.819 1.00 0.00 H new ATOM 745 N PRO A 49 6.311 7.779 -6.137 1.00 0.00 N ATOM 746 CA PRO A 49 5.487 6.589 -6.370 1.00 0.00 C ATOM 747 C PRO A 49 6.168 5.406 -7.048 1.00 0.00 C ATOM 748 O PRO A 49 7.012 5.545 -7.935 1.00 0.00 O ATOM 749 CB PRO A 49 4.345 7.098 -7.261 1.00 0.00 C ATOM 750 CG PRO A 49 4.579 8.563 -7.432 1.00 0.00 C ATOM 751 CD PRO A 49 5.480 8.969 -6.304 1.00 0.00 C ATOM 0 HA PRO A 49 5.191 6.180 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.344 6.588 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.376 6.909 -6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.041 8.775 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.640 9.115 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.073 9.849 -6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.920 9.206 -5.399 1.00 0.00 H new ATOM 759 N ILE A 50 5.673 4.238 -6.696 1.00 0.00 N ATOM 760 CA ILE A 50 6.260 2.988 -7.117 1.00 0.00 C ATOM 761 C ILE A 50 5.217 2.149 -7.825 1.00 0.00 C ATOM 762 O ILE A 50 4.081 2.044 -7.364 1.00 0.00 O ATOM 763 CB ILE A 50 6.822 2.205 -5.906 1.00 0.00 C ATOM 764 CG1 ILE A 50 7.875 3.040 -5.169 1.00 0.00 C ATOM 765 CG2 ILE A 50 7.414 0.878 -6.350 1.00 0.00 C ATOM 766 CD1 ILE A 50 8.429 2.370 -3.927 1.00 0.00 C ATOM 0 H ILE A 50 4.848 4.131 -6.106 1.00 0.00 H new ATOM 0 HA ILE A 50 7.082 3.206 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 50 5.999 2.001 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.697 3.255 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.435 3.997 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.803 0.345 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.641 0.277 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.223 1.059 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.168 3.022 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.618 2.179 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.900 1.426 -4.202 1.00 0.00 H new ATOM 778 N GLN A 51 5.596 1.583 -8.956 1.00 0.00 N ATOM 779 CA GLN A 51 4.711 0.719 -9.701 1.00 0.00 C ATOM 780 C GLN A 51 4.680 -0.658 -9.055 1.00 0.00 C ATOM 781 O GLN A 51 5.717 -1.307 -8.919 1.00 0.00 O ATOM 782 CB GLN A 51 5.162 0.611 -11.160 1.00 0.00 C ATOM 783 CG GLN A 51 4.850 1.839 -12.007 1.00 0.00 C ATOM 784 CD GLN A 51 5.708 3.046 -11.664 1.00 0.00 C ATOM 785 OE1 GLN A 51 6.798 3.224 -12.206 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.215 3.894 -10.772 1.00 0.00 N ATOM 0 H GLN A 51 6.516 1.710 -9.377 1.00 0.00 H new ATOM 0 HA GLN A 51 3.708 1.146 -9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.237 0.432 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.684 -0.258 -11.612 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.991 1.590 -13.059 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.800 2.102 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.307 3.713 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.743 4.727 -10.514 1.00 0.00 H new ATOM 795 N VAL A 52 3.500 -1.085 -8.642 1.00 0.00 N ATOM 796 CA VAL A 52 3.333 -2.364 -7.969 1.00 0.00 C ATOM 797 C VAL A 52 2.236 -3.184 -8.637 1.00 0.00 C ATOM 798 O VAL A 52 1.380 -2.643 -9.331 1.00 0.00 O ATOM 799 CB VAL A 52 3.002 -2.192 -6.469 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.156 -1.530 -5.733 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.717 -1.392 -6.286 1.00 0.00 C ATOM 0 H VAL A 52 2.634 -0.560 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 52 4.285 -2.889 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 52 2.850 -3.183 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.900 -1.419 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.049 -2.148 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.347 -0.548 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.504 -1.284 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.835 -0.406 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.891 -1.914 -6.770 1.00 0.00 H new ATOM 811 N GLU A 53 2.259 -4.481 -8.404 1.00 0.00 N ATOM 812 CA GLU A 53 1.372 -5.410 -9.081 1.00 0.00 C ATOM 813 C GLU A 53 0.376 -6.008 -8.106 1.00 0.00 C ATOM 814 O GLU A 53 0.753 -6.479 -7.032 1.00 0.00 O ATOM 815 CB GLU A 53 2.203 -6.520 -9.724 1.00 0.00 C ATOM 816 CG GLU A 53 1.381 -7.639 -10.330 1.00 0.00 C ATOM 817 CD GLU A 53 2.252 -8.721 -10.918 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.610 -9.672 -10.182 1.00 0.00 O ATOM 819 OE2 GLU A 53 2.596 -8.620 -12.112 1.00 0.00 O ATOM 0 H GLU A 53 2.894 -4.923 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 53 0.816 -4.873 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.832 -6.084 -10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.871 -6.941 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.734 -8.069 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.732 -7.234 -11.106 1.00 0.00 H new ATOM 826 N THR A 54 -0.896 -5.982 -8.479 1.00 0.00 N ATOM 827 CA THR A 54 -1.929 -6.594 -7.663 1.00 0.00 C ATOM 828 C THR A 54 -2.367 -7.919 -8.283 1.00 0.00 C ATOM 829 O THR A 54 -2.675 -8.878 -7.573 1.00 0.00 O ATOM 830 CB THR A 54 -3.145 -5.654 -7.473 1.00 0.00 C ATOM 831 OG1 THR A 54 -4.126 -6.269 -6.625 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.783 -5.287 -8.808 1.00 0.00 C ATOM 0 H THR A 54 -1.234 -5.546 -9.337 1.00 0.00 H new ATOM 0 HA THR A 54 -1.508 -6.782 -6.675 1.00 0.00 H new ATOM 0 HB THR A 54 -2.781 -4.740 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.888 -5.663 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.633 -4.627 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.050 -4.779 -9.434 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.123 -6.193 -9.310 1.00 0.00 H new ATOM 840 N ARG A 55 -2.363 -7.965 -9.611 1.00 0.00 N ATOM 841 CA ARG A 55 -2.707 -9.172 -10.351 1.00 0.00 C ATOM 842 C ARG A 55 -2.024 -9.177 -11.711 1.00 0.00 C ATOM 843 O ARG A 55 -0.913 -9.680 -11.856 1.00 0.00 O ATOM 844 CB ARG A 55 -4.217 -9.306 -10.561 1.00 0.00 C ATOM 845 CG ARG A 55 -4.969 -9.933 -9.402 1.00 0.00 C ATOM 846 CD ARG A 55 -6.322 -10.446 -9.862 1.00 0.00 C ATOM 847 NE ARG A 55 -6.182 -11.330 -11.021 1.00 0.00 N ATOM 848 CZ ARG A 55 -7.174 -11.652 -11.848 1.00 0.00 C ATOM 849 NH1 ARG A 55 -8.413 -11.262 -11.587 1.00 0.00 N ATOM 850 NH2 ARG A 55 -6.925 -12.387 -12.922 1.00 0.00 N ATOM 0 H ARG A 55 -2.122 -7.169 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.362 -10.015 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.632 -8.316 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.393 -9.903 -11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.386 -10.753 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.103 -9.199 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.807 -10.983 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.966 -9.605 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.261 -11.726 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.609 -10.713 -10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.171 -11.511 -12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.975 -12.705 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.683 -12.635 -13.557 1.00 0.00 H new ATOM 864 N GLN A 56 -2.702 -8.606 -12.702 1.00 0.00 N ATOM 865 CA GLN A 56 -2.199 -8.568 -14.070 1.00 0.00 C ATOM 866 C GLN A 56 -1.874 -7.134 -14.480 1.00 0.00 C ATOM 867 O GLN A 56 -1.454 -6.877 -15.610 1.00 0.00 O ATOM 868 CB GLN A 56 -3.242 -9.146 -15.035 1.00 0.00 C ATOM 869 CG GLN A 56 -3.131 -10.649 -15.287 1.00 0.00 C ATOM 870 CD GLN A 56 -3.180 -11.491 -14.026 1.00 0.00 C ATOM 871 OE1 GLN A 56 -4.254 -11.858 -13.546 1.00 0.00 O ATOM 872 NE2 GLN A 56 -2.016 -11.831 -13.503 1.00 0.00 N ATOM 0 H GLN A 56 -3.611 -8.159 -12.580 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.290 -9.168 -14.115 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.236 -8.932 -14.642 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.158 -8.626 -15.989 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.940 -10.957 -15.949 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.197 -10.851 -15.811 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.150 -11.506 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.983 -12.419 -12.670 1.00 0.00 H new ATOM 881 N THR A 57 -2.076 -6.201 -13.564 1.00 0.00 N ATOM 882 CA THR A 57 -1.855 -4.798 -13.858 1.00 0.00 C ATOM 883 C THR A 57 -1.043 -4.130 -12.748 1.00 0.00 C ATOM 884 O THR A 57 -1.048 -4.584 -11.596 1.00 0.00 O ATOM 885 CB THR A 57 -3.192 -4.048 -14.062 1.00 0.00 C ATOM 886 OG1 THR A 57 -2.944 -2.709 -14.510 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.009 -4.010 -12.776 1.00 0.00 C ATOM 0 H THR A 57 -2.392 -6.391 -12.613 1.00 0.00 H new ATOM 0 HA THR A 57 -1.288 -4.745 -14.788 1.00 0.00 H new ATOM 0 HB THR A 57 -3.763 -4.588 -14.817 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.797 -2.244 -14.638 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.942 -3.476 -12.954 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.229 -5.028 -12.454 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.441 -3.499 -11.999 1.00 0.00 H new ATOM 895 N SER A 58 -0.348 -3.061 -13.105 1.00 0.00 N ATOM 896 CA SER A 58 0.488 -2.339 -12.165 1.00 0.00 C ATOM 897 C SER A 58 -0.177 -1.027 -11.749 1.00 0.00 C ATOM 898 O SER A 58 -0.778 -0.331 -12.571 1.00 0.00 O ATOM 899 CB SER A 58 1.851 -2.057 -12.791 1.00 0.00 C ATOM 900 OG SER A 58 2.384 -3.221 -13.403 1.00 0.00 O ATOM 0 H SER A 58 -0.349 -2.673 -14.048 1.00 0.00 H new ATOM 0 HA SER A 58 0.622 -2.956 -11.276 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.757 -1.264 -13.532 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.539 -1.698 -12.025 1.00 0.00 H new ATOM 0 HG SER A 58 3.256 -3.013 -13.798 1.00 0.00 H new ATOM 906 N LEU A 59 -0.076 -0.707 -10.471 1.00 0.00 N ATOM 907 CA LEU A 59 -0.621 0.532 -9.933 1.00 0.00 C ATOM 908 C LEU A 59 0.501 1.388 -9.362 1.00 0.00 C ATOM 909 O LEU A 59 1.645 0.943 -9.277 1.00 0.00 O ATOM 910 CB LEU A 59 -1.663 0.260 -8.838 1.00 0.00 C ATOM 911 CG LEU A 59 -3.020 -0.290 -9.308 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.914 -1.747 -9.730 1.00 0.00 C ATOM 913 CD2 LEU A 59 -4.064 -0.128 -8.209 1.00 0.00 C ATOM 0 H LEU A 59 0.384 -1.295 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.113 1.061 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.235 -0.447 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.840 1.189 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.331 0.285 -10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.891 -2.103 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.202 -1.837 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.573 -2.346 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.020 -0.521 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.746 -0.675 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.173 0.928 -7.964 1.00 0.00 H new ATOM 925 N ALA A 60 0.173 2.606 -8.962 1.00 0.00 N ATOM 926 CA ALA A 60 1.162 3.518 -8.409 1.00 0.00 C ATOM 927 C ALA A 60 0.566 4.336 -7.274 1.00 0.00 C ATOM 928 O ALA A 60 -0.598 4.735 -7.331 1.00 0.00 O ATOM 929 CB ALA A 60 1.696 4.437 -9.494 1.00 0.00 C ATOM 0 H ALA A 60 -0.772 2.987 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 60 1.987 2.927 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.435 5.114 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.161 3.841 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.875 5.016 -9.917 1.00 0.00 H new ATOM 935 N LEU A 61 1.363 4.568 -6.244 1.00 0.00 N ATOM 936 CA LEU A 61 0.939 5.361 -5.098 1.00 0.00 C ATOM 937 C LEU A 61 2.115 6.181 -4.581 1.00 0.00 C ATOM 938 O LEU A 61 3.265 5.766 -4.722 1.00 0.00 O ATOM 939 CB LEU A 61 0.374 4.447 -3.997 1.00 0.00 C ATOM 940 CG LEU A 61 1.256 3.256 -3.607 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.264 3.638 -2.534 1.00 0.00 C ATOM 942 CD2 LEU A 61 0.407 2.082 -3.148 1.00 0.00 C ATOM 0 H LEU A 61 2.318 4.215 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 61 0.147 6.045 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.194 5.050 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.593 4.067 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 61 1.812 2.954 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.873 2.770 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.907 4.436 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.736 3.982 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.055 1.249 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.186 2.378 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.258 1.776 -3.956 1.00 0.00 H new ATOM 954 N ARG A 62 1.831 7.336 -3.988 1.00 0.00 N ATOM 955 CA ARG A 62 2.885 8.232 -3.519 1.00 0.00 C ATOM 956 C ARG A 62 3.544 7.693 -2.268 1.00 0.00 C ATOM 957 O ARG A 62 3.093 6.711 -1.678 1.00 0.00 O ATOM 958 CB ARG A 62 2.338 9.626 -3.213 1.00 0.00 C ATOM 959 CG ARG A 62 1.940 10.424 -4.435 1.00 0.00 C ATOM 960 CD ARG A 62 3.140 11.008 -5.168 1.00 0.00 C ATOM 961 NE ARG A 62 2.732 11.777 -6.344 1.00 0.00 N ATOM 962 CZ ARG A 62 3.541 12.566 -7.051 1.00 0.00 C ATOM 963 NH1 ARG A 62 4.818 12.705 -6.718 1.00 0.00 N ATOM 964 NH2 ARG A 62 3.063 13.221 -8.100 1.00 0.00 N ATOM 0 H ARG A 62 0.883 7.674 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 62 3.618 8.298 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.471 9.527 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.092 10.185 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.379 9.784 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.273 11.232 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.704 11.650 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.808 10.202 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 62 1.760 11.704 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.192 12.205 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.425 13.312 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.082 13.119 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.676 13.827 -8.646 1.00 0.00 H new ATOM 978 N ARG A 63 4.588 8.377 -1.842 1.00 0.00 N ATOM 979 CA ARG A 63 5.317 7.983 -0.642 1.00 0.00 C ATOM 980 C ARG A 63 4.464 8.245 0.592 1.00 0.00 C ATOM 981 O ARG A 63 4.523 7.506 1.575 1.00 0.00 O ATOM 982 CB ARG A 63 6.662 8.706 -0.551 1.00 0.00 C ATOM 983 CG ARG A 63 6.573 10.221 -0.536 1.00 0.00 C ATOM 984 CD ARG A 63 7.958 10.836 -0.436 1.00 0.00 C ATOM 985 NE ARG A 63 7.927 12.296 -0.456 1.00 0.00 N ATOM 986 CZ ARG A 63 8.653 13.062 0.356 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.400 12.504 1.302 1.00 0.00 N ATOM 988 NH2 ARG A 63 8.617 14.383 0.238 1.00 0.00 N ATOM 0 H ARG A 63 4.954 9.209 -2.306 1.00 0.00 H new ATOM 0 HA ARG A 63 5.528 6.915 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.174 8.378 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.280 8.401 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.078 10.571 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.963 10.547 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.436 10.499 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.571 10.478 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 63 7.314 12.755 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.417 11.489 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.956 13.090 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.032 14.815 -0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.175 14.966 0.862 1.00 0.00 H new ATOM 1002 N LYS A 64 3.669 9.304 0.517 1.00 0.00 N ATOM 1003 CA LYS A 64 2.698 9.624 1.558 1.00 0.00 C ATOM 1004 C LYS A 64 1.741 8.452 1.760 1.00 0.00 C ATOM 1005 O LYS A 64 1.494 8.026 2.887 1.00 0.00 O ATOM 1006 CB LYS A 64 1.923 10.899 1.173 1.00 0.00 C ATOM 1007 CG LYS A 64 1.004 11.444 2.267 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.346 10.724 2.329 1.00 0.00 C ATOM 1009 CE LYS A 64 -1.389 11.351 1.405 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.095 11.139 -0.040 1.00 0.00 N ATOM 0 H LYS A 64 3.677 9.963 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 64 3.222 9.804 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.639 11.674 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.325 10.690 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.503 11.352 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.835 12.507 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.208 9.677 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.716 10.742 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.368 10.932 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.446 12.421 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.901 11.466 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.244 11.676 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.934 10.127 -0.217 1.00 0.00 H new ATOM 1024 N ASP A 65 1.224 7.926 0.656 1.00 0.00 N ATOM 1025 CA ASP A 65 0.261 6.836 0.698 1.00 0.00 C ATOM 1026 C ASP A 65 0.935 5.567 1.195 1.00 0.00 C ATOM 1027 O ASP A 65 0.350 4.788 1.946 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.328 6.600 -0.695 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.811 7.881 -1.344 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.620 8.602 -0.726 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.351 8.187 -2.463 1.00 0.00 O ATOM 0 H ASP A 65 1.459 8.241 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.544 7.104 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.426 6.136 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.159 5.898 -0.621 1.00 0.00 H new ATOM 1036 N LEU A 66 2.179 5.382 0.775 1.00 0.00 N ATOM 1037 CA LEU A 66 2.984 4.246 1.204 1.00 0.00 C ATOM 1038 C LEU A 66 3.148 4.239 2.719 1.00 0.00 C ATOM 1039 O LEU A 66 3.105 3.186 3.351 1.00 0.00 O ATOM 1040 CB LEU A 66 4.357 4.301 0.530 1.00 0.00 C ATOM 1041 CG LEU A 66 5.274 3.108 0.799 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.724 1.853 0.138 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.684 3.398 0.308 1.00 0.00 C ATOM 0 H LEU A 66 2.657 6.012 0.130 1.00 0.00 H new ATOM 0 HA LEU A 66 2.473 3.329 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.210 4.388 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.866 5.208 0.856 1.00 0.00 H new ATOM 0 HG LEU A 66 5.314 2.939 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.390 1.014 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.734 1.635 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.654 2.010 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.323 2.538 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.663 3.593 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.078 4.271 0.828 1.00 0.00 H new ATOM 1055 N ALA A 67 3.321 5.420 3.295 1.00 0.00 N ATOM 1056 CA ALA A 67 3.514 5.548 4.730 1.00 0.00 C ATOM 1057 C ALA A 67 2.233 5.224 5.488 1.00 0.00 C ATOM 1058 O ALA A 67 2.277 4.799 6.645 1.00 0.00 O ATOM 1059 CB ALA A 67 3.991 6.949 5.069 1.00 0.00 C ATOM 0 H ALA A 67 3.331 6.305 2.788 1.00 0.00 H new ATOM 0 HA ALA A 67 4.275 4.830 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.133 7.034 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.936 7.144 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.247 7.676 4.742 1.00 0.00 H new ATOM 1065 N LEU A 68 1.096 5.404 4.826 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.199 5.176 5.454 1.00 0.00 C ATOM 1067 C LEU A 68 -0.588 3.703 5.398 1.00 0.00 C ATOM 1068 O LEU A 68 -1.570 3.289 6.014 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.281 6.025 4.786 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.103 7.537 4.930 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.246 8.271 4.253 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.015 7.931 6.396 1.00 0.00 C ATOM 0 H LEU A 68 1.045 5.707 3.854 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.113 5.470 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.311 5.778 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.248 5.748 5.205 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.170 7.820 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.105 9.346 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.266 8.015 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.190 7.979 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.889 9.011 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.930 7.634 6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.163 7.431 6.857 1.00 0.00 H new ATOM 1084 N LEU A 69 0.180 2.913 4.663 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.075 1.485 4.574 1.00 0.00 C ATOM 1086 C LEU A 69 0.927 0.716 5.427 1.00 0.00 C ATOM 1087 O LEU A 69 2.128 0.980 5.373 1.00 0.00 O ATOM 1088 CB LEU A 69 0.012 1.018 3.119 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.010 1.641 2.167 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -0.757 1.176 0.741 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.427 1.289 2.599 1.00 0.00 C ATOM 0 H LEU A 69 0.982 3.236 4.122 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.081 1.290 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.012 1.236 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.108 -0.065 3.095 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.900 2.725 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.492 1.628 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.244 1.476 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.842 0.090 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.140 1.741 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.551 0.206 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.605 1.668 3.606 1.00 0.00 H new ATOM 1103 N THR A 70 0.442 -0.223 6.225 1.00 0.00 N ATOM 1104 CA THR A 70 1.332 -1.070 6.992 1.00 0.00 C ATOM 1105 C THR A 70 1.693 -2.300 6.171 1.00 0.00 C ATOM 1106 O THR A 70 0.840 -3.136 5.863 1.00 0.00 O ATOM 1107 CB THR A 70 0.705 -1.504 8.320 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.135 -0.366 8.980 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.744 -2.144 9.227 1.00 0.00 C ATOM 0 H THR A 70 -0.551 -0.414 6.355 1.00 0.00 H new ATOM 0 HA THR A 70 2.228 -0.493 7.222 1.00 0.00 H new ATOM 0 HB THR A 70 -0.073 -2.238 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.267 -0.647 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.274 -2.444 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.165 -3.021 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.539 -1.427 9.433 1.00 0.00 H new ATOM 1117 N LEU A 71 2.958 -2.399 5.818 1.00 0.00 N ATOM 1118 CA LEU A 71 3.416 -3.441 4.918 1.00 0.00 C ATOM 1119 C LEU A 71 4.437 -4.338 5.598 1.00 0.00 C ATOM 1120 O LEU A 71 5.383 -3.857 6.229 1.00 0.00 O ATOM 1121 CB LEU A 71 4.044 -2.820 3.666 1.00 0.00 C ATOM 1122 CG LEU A 71 3.155 -1.846 2.892 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.923 -1.244 1.728 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.903 -2.547 2.393 1.00 0.00 C ATOM 0 H LEU A 71 3.691 -1.768 6.142 1.00 0.00 H new ATOM 0 HA LEU A 71 2.552 -4.042 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.954 -2.297 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.341 -3.625 2.994 1.00 0.00 H new ATOM 0 HG LEU A 71 2.854 -1.043 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.278 -0.553 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.794 -0.708 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.249 -2.039 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.283 -1.838 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.184 -3.368 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.342 -2.938 3.242 1.00 0.00 H new ATOM 1136 N VAL A 72 4.244 -5.635 5.470 1.00 0.00 N ATOM 1137 CA VAL A 72 5.218 -6.597 5.958 1.00 0.00 C ATOM 1138 C VAL A 72 5.681 -7.483 4.810 1.00 0.00 C ATOM 1139 O VAL A 72 4.867 -7.968 4.025 1.00 0.00 O ATOM 1140 CB VAL A 72 4.664 -7.471 7.109 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.343 -6.621 8.328 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.436 -8.251 6.665 1.00 0.00 C ATOM 0 H VAL A 72 3.422 -6.050 5.032 1.00 0.00 H new ATOM 0 HA VAL A 72 6.060 -6.033 6.361 1.00 0.00 H new ATOM 0 HB VAL A 72 5.438 -8.187 7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.955 -7.257 9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.249 -6.121 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.595 -5.874 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.069 -8.856 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.657 -7.556 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.700 -8.901 5.831 1.00 0.00 H new ATOM 1152 N PRO A 73 6.993 -7.685 4.666 1.00 0.00 N ATOM 1153 CA PRO A 73 7.536 -8.461 3.553 1.00 0.00 C ATOM 1154 C PRO A 73 7.204 -9.945 3.662 1.00 0.00 C ATOM 1155 O PRO A 73 6.824 -10.436 4.726 1.00 0.00 O ATOM 1156 CB PRO A 73 9.048 -8.244 3.675 1.00 0.00 C ATOM 1157 CG PRO A 73 9.272 -7.917 5.111 1.00 0.00 C ATOM 1158 CD PRO A 73 8.046 -7.178 5.564 1.00 0.00 C ATOM 0 HA PRO A 73 7.119 -8.146 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.600 -9.137 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.385 -7.434 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.421 -8.823 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.165 -7.305 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.816 -7.383 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.169 -6.099 5.470 1.00 0.00 H new ATOM 1166 N LEU A 74 7.353 -10.654 2.553 1.00 0.00 N ATOM 1167 CA LEU A 74 7.216 -12.104 2.542 1.00 0.00 C ATOM 1168 C LEU A 74 8.346 -12.761 3.338 1.00 0.00 C ATOM 1169 O LEU A 74 8.263 -13.943 3.683 1.00 0.00 O ATOM 1170 CB LEU A 74 7.231 -12.623 1.103 1.00 0.00 C ATOM 1171 CG LEU A 74 6.093 -12.131 0.208 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.211 -12.743 -1.177 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.745 -12.466 0.822 1.00 0.00 C ATOM 0 H LEU A 74 7.570 -10.246 1.644 1.00 0.00 H new ATOM 0 HA LEU A 74 6.265 -12.360 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.178 -12.339 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.203 -13.712 1.129 1.00 0.00 H new ATOM 0 HG LEU A 74 6.168 -11.047 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.395 -12.384 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.164 -12.455 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.160 -13.829 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.949 -12.107 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.658 -13.546 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.660 -11.985 1.797 1.00 0.00 H new ATOM 1185 N ASP A 75 9.385 -11.970 3.616 1.00 0.00 N ATOM 1186 CA ASP A 75 10.581 -12.418 4.334 1.00 0.00 C ATOM 1187 C ASP A 75 11.388 -13.377 3.470 1.00 0.00 C ATOM 1188 O ASP A 75 11.286 -14.610 3.661 1.00 0.00 O ATOM 1189 CB ASP A 75 10.229 -13.056 5.684 1.00 0.00 C ATOM 1190 CG ASP A 75 11.462 -13.504 6.449 1.00 0.00 C ATOM 1191 OD1 ASP A 75 12.471 -12.766 6.456 1.00 0.00 O ATOM 1192 OD2 ASP A 75 11.429 -14.596 7.057 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.108 -12.888 2.569 1.00 0.00 O ATOM 0 H ASP A 75 9.420 -10.987 3.345 1.00 0.00 H new ATOM 0 HA ASP A 75 11.192 -11.541 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.670 -12.340 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.575 -13.913 5.519 1.00 0.00 H new