USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 93 SER OG : rot 125:sc= 0.936 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0.811 USER MOD Set 2.1: A 5 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 34 CYS SG : rot -120:sc= 0.361 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 71:sc= 0.322 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.52 USER MOD Single : A 31 CYS SG : rot 174:sc= 0.181 USER MOD Single : A 33 HIS : no HE2:sc= 0.437 K(o=0.44,f=-7.3!) USER MOD Single : A 35 GLN : amide:sc= 1.11 K(o=1.1,f=-0.066) USER MOD Single : A 38 GLN : amide:sc= 0.0985 X(o=0.099,f=0) USER MOD Single : A 46 SER OG : rot 77:sc= 0.718 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00899 USER MOD Single : A 53 HIS : no HE2:sc= -0.311 K(o=-0.31,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00148 USER MOD Single : A 103 SER OG : rot 32:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.021 -2.249 6.946 1.00 0.00 N ATOM 70 CA TYR A 5 8.459 -3.379 6.191 1.00 0.00 C ATOM 71 C TYR A 5 8.406 -4.705 6.958 1.00 0.00 C ATOM 72 O TYR A 5 9.251 -4.994 7.810 1.00 0.00 O ATOM 73 CB TYR A 5 9.186 -3.536 4.855 1.00 0.00 C ATOM 74 CG TYR A 5 8.633 -2.654 3.763 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.089 -1.334 3.602 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.633 -3.163 2.923 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.559 -0.527 2.577 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.094 -2.359 1.899 1.00 0.00 C ATOM 79 CZ TYR A 5 7.577 -1.046 1.702 1.00 0.00 C ATOM 80 OH TYR A 5 7.097 -0.289 0.680 1.00 0.00 O ATOM 0 HA TYR A 5 7.414 -3.126 6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.242 -3.307 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.125 -4.577 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.845 -0.939 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.275 -4.173 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.903 0.490 2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.311 -2.747 1.264 1.00 0.00 H new ATOM 0 HH TYR A 5 6.619 -0.862 0.045 1.00 0.00 H new ATOM 89 N SER A 6 7.397 -5.515 6.623 1.00 0.00 N ATOM 90 CA SER A 6 7.030 -6.726 7.358 1.00 0.00 C ATOM 91 C SER A 6 7.075 -7.990 6.487 1.00 0.00 C ATOM 92 O SER A 6 6.387 -8.084 5.463 1.00 0.00 O ATOM 93 CB SER A 6 5.613 -6.550 7.920 1.00 0.00 C ATOM 94 OG SER A 6 5.579 -5.530 8.913 1.00 0.00 O ATOM 0 H SER A 6 6.800 -5.342 5.814 1.00 0.00 H new ATOM 0 HA SER A 6 7.760 -6.861 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.926 -6.298 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.269 -7.491 8.349 1.00 0.00 H new ATOM 0 HG SER A 6 4.665 -5.436 9.254 1.00 0.00 H new ATOM 99 N ALA A 7 7.844 -8.993 6.919 1.00 0.00 N ATOM 100 CA ALA A 7 7.858 -10.321 6.295 1.00 0.00 C ATOM 101 C ALA A 7 6.575 -11.126 6.584 1.00 0.00 C ATOM 102 O ALA A 7 6.103 -11.851 5.710 1.00 0.00 O ATOM 103 CB ALA A 7 9.108 -11.065 6.784 1.00 0.00 C ATOM 0 H ALA A 7 8.477 -8.908 7.714 1.00 0.00 H new ATOM 0 HA ALA A 7 7.889 -10.203 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.141 -12.057 6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.999 -10.507 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.073 -11.161 7.869 1.00 0.00 H new ATOM 109 N GLU A 8 5.988 -10.955 7.773 1.00 0.00 N ATOM 110 CA GLU A 8 4.818 -11.685 8.296 1.00 0.00 C ATOM 111 C GLU A 8 3.453 -11.276 7.675 1.00 0.00 C ATOM 112 O GLU A 8 2.413 -11.323 8.332 1.00 0.00 O ATOM 113 CB GLU A 8 4.819 -11.597 9.832 1.00 0.00 C ATOM 114 CG GLU A 8 4.666 -10.171 10.381 1.00 0.00 C ATOM 115 CD GLU A 8 4.616 -10.179 11.918 1.00 0.00 C ATOM 116 OE1 GLU A 8 5.690 -10.148 12.564 1.00 0.00 O ATOM 117 OE2 GLU A 8 3.504 -10.213 12.499 1.00 0.00 O ATOM 0 H GLU A 8 6.334 -10.264 8.439 1.00 0.00 H new ATOM 0 HA GLU A 8 4.925 -12.724 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.008 -12.213 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.750 -12.021 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.500 -9.555 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.756 -9.720 9.986 1.00 0.00 H new ATOM 122 N ALA A 9 3.444 -10.857 6.409 1.00 0.00 N ATOM 123 CA ALA A 9 2.243 -10.476 5.673 1.00 0.00 C ATOM 124 C ALA A 9 1.232 -11.640 5.515 1.00 0.00 C ATOM 125 O ALA A 9 1.637 -12.813 5.503 1.00 0.00 O ATOM 126 CB ALA A 9 2.649 -9.920 4.302 1.00 0.00 C ATOM 0 H ALA A 9 4.296 -10.772 5.854 1.00 0.00 H new ATOM 0 HA ALA A 9 1.729 -9.709 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.756 -9.633 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.288 -9.047 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.192 -10.684 3.746 1.00 0.00 H new ATOM 132 N PRO A 10 -0.066 -11.324 5.340 1.00 0.00 N ATOM 133 CA PRO A 10 -1.121 -12.310 5.132 1.00 0.00 C ATOM 134 C PRO A 10 -1.020 -13.005 3.772 1.00 0.00 C ATOM 135 O PRO A 10 -0.433 -12.478 2.825 1.00 0.00 O ATOM 136 CB PRO A 10 -2.432 -11.526 5.245 1.00 0.00 C ATOM 137 CG PRO A 10 -2.037 -10.129 4.771 1.00 0.00 C ATOM 138 CD PRO A 10 -0.641 -9.983 5.358 1.00 0.00 C ATOM 0 HA PRO A 10 -1.048 -13.112 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.215 -11.957 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.809 -11.514 6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.033 -10.052 3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.719 -9.364 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.039 -9.290 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.682 -9.588 6.373 1.00 0.00 H new ATOM 143 N ALA A 11 -1.667 -14.168 3.662 1.00 0.00 N ATOM 144 CA ALA A 11 -1.942 -14.823 2.383 1.00 0.00 C ATOM 145 C ALA A 11 -3.176 -14.202 1.705 1.00 0.00 C ATOM 146 O ALA A 11 -4.130 -13.814 2.391 1.00 0.00 O ATOM 147 CB ALA A 11 -2.140 -16.324 2.629 1.00 0.00 C ATOM 0 H ALA A 11 -2.018 -14.686 4.468 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.098 -14.678 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.346 -16.824 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.236 -16.743 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.979 -16.474 3.308 1.00 0.00 H new ATOM 153 N ARG A 12 -3.188 -14.150 0.368 1.00 0.00 N ATOM 154 CA ARG A 12 -4.248 -13.498 -0.423 1.00 0.00 C ATOM 155 C ARG A 12 -5.645 -14.086 -0.150 1.00 0.00 C ATOM 156 O ARG A 12 -6.642 -13.378 -0.258 1.00 0.00 O ATOM 157 CB ARG A 12 -3.882 -13.534 -1.928 1.00 0.00 C ATOM 158 CG ARG A 12 -4.046 -12.179 -2.642 1.00 0.00 C ATOM 159 CD ARG A 12 -5.505 -11.718 -2.784 1.00 0.00 C ATOM 160 NE ARG A 12 -5.595 -10.385 -3.408 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.708 -9.687 -3.605 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.892 -10.149 -3.257 1.00 0.00 N ATOM 163 NH2 ARG A 12 -6.643 -8.500 -4.159 1.00 0.00 N ATOM 0 H ARG A 12 -2.454 -14.564 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.307 -12.457 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.849 -13.866 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.507 -14.275 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.488 -11.421 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.599 -12.247 -3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.058 -12.440 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.977 -11.693 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.721 -9.959 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.973 -11.068 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.727 -9.587 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.740 -8.116 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.495 -7.961 -4.312 1.00 0.00 H new ATOM 174 N ASP A 13 -5.728 -15.358 0.247 1.00 0.00 N ATOM 175 CA ASP A 13 -6.983 -16.026 0.623 1.00 0.00 C ATOM 176 C ASP A 13 -7.583 -15.489 1.937 1.00 0.00 C ATOM 177 O ASP A 13 -8.782 -15.239 2.001 1.00 0.00 O ATOM 178 CB ASP A 13 -6.704 -17.528 0.732 1.00 0.00 C ATOM 179 CG ASP A 13 -7.980 -18.344 0.984 1.00 0.00 C ATOM 180 OD1 ASP A 13 -8.829 -18.432 0.070 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.133 -18.891 2.101 1.00 0.00 O ATOM 0 H ASP A 13 -4.912 -15.966 0.319 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.727 -15.821 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.230 -17.874 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.997 -17.705 1.542 1.00 0.00 H new ATOM 185 N GLU A 14 -6.758 -15.265 2.964 1.00 0.00 N ATOM 186 CA GLU A 14 -7.211 -14.693 4.243 1.00 0.00 C ATOM 187 C GLU A 14 -7.451 -13.180 4.130 1.00 0.00 C ATOM 188 O GLU A 14 -8.392 -12.639 4.708 1.00 0.00 O ATOM 189 CB GLU A 14 -6.190 -15.021 5.345 1.00 0.00 C ATOM 190 CG GLU A 14 -6.787 -14.853 6.751 1.00 0.00 C ATOM 191 CD GLU A 14 -7.951 -15.818 7.012 1.00 0.00 C ATOM 192 OE1 GLU A 14 -7.731 -17.050 7.033 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.115 -15.374 7.126 1.00 0.00 O ATOM 0 H GLU A 14 -5.760 -15.473 2.936 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.168 -15.143 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.838 -16.045 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.321 -14.371 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.008 -15.018 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.134 -13.827 6.875 1.00 0.00 H new ATOM 198 N LEU A 15 -6.635 -12.507 3.321 1.00 0.00 N ATOM 199 CA LEU A 15 -6.775 -11.097 2.953 1.00 0.00 C ATOM 200 C LEU A 15 -8.043 -10.825 2.113 1.00 0.00 C ATOM 201 O LEU A 15 -8.472 -9.677 2.032 1.00 0.00 O ATOM 202 CB LEU A 15 -5.441 -10.704 2.297 1.00 0.00 C ATOM 203 CG LEU A 15 -5.375 -9.350 1.565 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.953 -8.786 1.668 1.00 0.00 C ATOM 205 CD2 LEU A 15 -5.731 -9.519 0.081 1.00 0.00 C ATOM 0 H LEU A 15 -5.824 -12.946 2.885 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.947 -10.457 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.674 -10.705 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.175 -11.484 1.584 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.089 -8.670 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.903 -7.828 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.692 -8.646 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.251 -9.483 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.679 -8.551 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.026 -10.207 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.741 -9.919 -0.008 1.00 0.00 H new ATOM 216 N ASP A 16 -8.710 -11.845 1.550 1.00 0.00 N ATOM 217 CA ASP A 16 -9.998 -11.671 0.860 1.00 0.00 C ATOM 218 C ASP A 16 -11.159 -11.431 1.847 1.00 0.00 C ATOM 219 O ASP A 16 -12.194 -10.875 1.478 1.00 0.00 O ATOM 220 CB ASP A 16 -10.272 -12.925 0.008 1.00 0.00 C ATOM 221 CG ASP A 16 -11.430 -12.730 -0.982 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.242 -12.004 -1.986 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.512 -13.327 -0.773 1.00 0.00 O ATOM 0 H ASP A 16 -8.374 -12.808 1.560 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.935 -10.786 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.369 -13.189 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.500 -13.763 0.666 1.00 0.00 H new ATOM 227 N ARG A 17 -10.971 -11.867 3.096 1.00 0.00 N ATOM 228 CA ARG A 17 -11.999 -11.918 4.139 1.00 0.00 C ATOM 229 C ARG A 17 -11.991 -10.706 5.087 1.00 0.00 C ATOM 230 O ARG A 17 -12.862 -10.609 5.961 1.00 0.00 O ATOM 231 CB ARG A 17 -11.810 -13.223 4.921 1.00 0.00 C ATOM 232 CG ARG A 17 -12.026 -14.440 3.995 1.00 0.00 C ATOM 233 CD ARG A 17 -12.042 -15.785 4.716 1.00 0.00 C ATOM 234 NE ARG A 17 -10.696 -16.336 4.969 1.00 0.00 N ATOM 235 CZ ARG A 17 -10.066 -17.219 4.204 1.00 0.00 C ATOM 236 NH1 ARG A 17 -10.531 -17.623 3.039 1.00 0.00 N ATOM 237 NH2 ARG A 17 -8.933 -17.752 4.591 1.00 0.00 N ATOM 0 H ARG A 17 -10.065 -12.207 3.420 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.974 -11.884 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.808 -13.256 5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.513 -13.261 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.970 -14.315 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.237 -14.454 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.564 -15.672 5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.612 -16.499 4.122 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.208 -16.010 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.414 -17.254 2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.007 -18.304 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.526 -17.489 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.458 -18.430 3.995 1.00 0.00 H new ATOM 248 N LEU A 18 -11.017 -9.802 4.936 1.00 0.00 N ATOM 249 CA LEU A 18 -10.957 -8.521 5.661 1.00 0.00 C ATOM 250 C LEU A 18 -12.170 -7.618 5.365 1.00 0.00 C ATOM 251 O LEU A 18 -12.925 -7.875 4.426 1.00 0.00 O ATOM 252 CB LEU A 18 -9.585 -7.853 5.418 1.00 0.00 C ATOM 253 CG LEU A 18 -9.321 -7.149 4.062 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.988 -5.769 3.935 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.804 -6.948 3.894 1.00 0.00 C ATOM 0 H LEU A 18 -10.234 -9.939 4.297 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.033 -8.710 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.434 -7.116 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.819 -8.618 5.546 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.750 -7.794 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.757 -5.341 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.068 -5.876 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.613 -5.110 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.606 -6.453 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.426 -6.331 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.305 -7.917 3.910 1.00 0.00 H new ATOM 266 N ALA A 19 -12.345 -6.536 6.138 1.00 0.00 N ATOM 267 CA ALA A 19 -13.466 -5.596 5.967 1.00 0.00 C ATOM 268 C ALA A 19 -13.083 -4.102 5.987 1.00 0.00 C ATOM 269 O ALA A 19 -13.664 -3.317 5.232 1.00 0.00 O ATOM 270 CB ALA A 19 -14.512 -5.916 7.043 1.00 0.00 C ATOM 0 H ALA A 19 -11.714 -6.287 6.900 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.862 -5.743 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.357 -5.235 6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.857 -6.943 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.066 -5.798 8.031 1.00 0.00 H new ATOM 276 N GLY A 20 -12.108 -3.693 6.807 1.00 0.00 N ATOM 277 CA GLY A 20 -11.753 -2.276 6.981 1.00 0.00 C ATOM 278 C GLY A 20 -10.928 -1.692 5.821 1.00 0.00 C ATOM 279 O GLY A 20 -10.347 -2.462 5.049 1.00 0.00 O ATOM 0 H GLY A 20 -11.543 -4.331 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.668 -1.694 7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.189 -2.164 7.907 1.00 0.00 H new ATOM 283 N PRO A 21 -10.842 -0.354 5.696 1.00 0.00 N ATOM 284 CA PRO A 21 -10.026 0.303 4.680 1.00 0.00 C ATOM 285 C PRO A 21 -8.543 0.008 4.949 1.00 0.00 C ATOM 286 O PRO A 21 -7.972 0.494 5.923 1.00 0.00 O ATOM 287 CB PRO A 21 -10.383 1.794 4.765 1.00 0.00 C ATOM 288 CG PRO A 21 -10.835 1.979 6.210 1.00 0.00 C ATOM 289 CD PRO A 21 -11.495 0.635 6.541 1.00 0.00 C ATOM 0 HA PRO A 21 -10.216 -0.056 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.525 2.425 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.173 2.057 4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.995 2.190 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.535 2.808 6.311 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.371 0.389 7.596 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.567 0.668 6.345 1.00 0.00 H new ATOM 294 N THR A 22 -7.946 -0.829 4.096 1.00 0.00 N ATOM 295 CA THR A 22 -6.589 -1.369 4.254 1.00 0.00 C ATOM 296 C THR A 22 -5.802 -1.141 2.975 1.00 0.00 C ATOM 297 O THR A 22 -6.136 -1.691 1.925 1.00 0.00 O ATOM 298 CB THR A 22 -6.643 -2.871 4.572 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.418 -3.081 5.731 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.246 -3.440 4.851 1.00 0.00 C ATOM 0 H THR A 22 -8.407 -1.161 3.249 1.00 0.00 H new ATOM 0 HA THR A 22 -6.098 -0.857 5.081 1.00 0.00 H new ATOM 0 HB THR A 22 -7.074 -3.370 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.363 -2.918 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.324 -4.505 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.613 -3.297 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.807 -2.924 5.704 1.00 0.00 H new ATOM 308 N LEU A 23 -4.727 -0.365 3.046 1.00 0.00 N ATOM 309 CA LEU A 23 -3.775 -0.211 1.951 1.00 0.00 C ATOM 310 C LEU A 23 -2.724 -1.322 2.010 1.00 0.00 C ATOM 311 O LEU A 23 -2.060 -1.493 3.029 1.00 0.00 O ATOM 312 CB LEU A 23 -3.150 1.194 2.022 1.00 0.00 C ATOM 313 CG LEU A 23 -2.222 1.512 0.834 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.942 1.258 -0.488 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.709 2.935 0.904 1.00 0.00 C ATOM 0 H LEU A 23 -4.489 0.181 3.874 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.281 -0.304 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.947 1.937 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.585 1.286 2.950 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.360 0.847 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.272 1.488 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.243 0.212 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.826 1.893 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.057 3.129 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.551 3.627 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.149 3.075 1.829 1.00 0.00 H new ATOM 326 N VAL A 24 -2.558 -2.067 0.918 1.00 0.00 N ATOM 327 CA VAL A 24 -1.585 -3.163 0.803 1.00 0.00 C ATOM 328 C VAL A 24 -0.434 -2.736 -0.111 1.00 0.00 C ATOM 329 O VAL A 24 -0.642 -2.540 -1.308 1.00 0.00 O ATOM 330 CB VAL A 24 -2.244 -4.471 0.292 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.279 -5.658 0.431 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.550 -4.792 1.042 1.00 0.00 C ATOM 0 H VAL A 24 -3.105 -1.926 0.069 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.193 -3.376 1.797 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.482 -4.311 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.762 -6.564 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.380 -5.466 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.009 -5.787 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.976 -5.716 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.339 -4.911 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.260 -3.977 0.902 1.00 0.00 H new ATOM 342 N GLU A 25 0.752 -2.569 0.475 1.00 0.00 N ATOM 343 CA GLU A 25 1.963 -1.987 -0.115 1.00 0.00 C ATOM 344 C GLU A 25 3.037 -3.061 -0.333 1.00 0.00 C ATOM 345 O GLU A 25 3.402 -3.765 0.611 1.00 0.00 O ATOM 346 CB GLU A 25 2.444 -0.889 0.853 1.00 0.00 C ATOM 347 CG GLU A 25 3.895 -0.405 0.731 1.00 0.00 C ATOM 348 CD GLU A 25 4.138 0.455 -0.513 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.117 -0.098 -1.637 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.370 1.675 -0.364 1.00 0.00 O ATOM 0 H GLU A 25 0.905 -2.856 1.442 1.00 0.00 H new ATOM 0 HA GLU A 25 1.756 -1.562 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.792 -0.024 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.298 -1.253 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.156 0.170 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.559 -1.269 0.704 1.00 0.00 H new ATOM 355 N PHE A 26 3.571 -3.155 -1.555 1.00 0.00 N ATOM 356 CA PHE A 26 4.620 -4.100 -1.944 1.00 0.00 C ATOM 357 C PHE A 26 5.960 -3.368 -2.141 1.00 0.00 C ATOM 358 O PHE A 26 6.081 -2.495 -3.004 1.00 0.00 O ATOM 359 CB PHE A 26 4.199 -4.830 -3.235 1.00 0.00 C ATOM 360 CG PHE A 26 2.771 -5.335 -3.234 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.356 -6.290 -2.290 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.836 -4.780 -4.124 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.997 -6.655 -2.214 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.485 -5.158 -4.058 1.00 0.00 C ATOM 365 CZ PHE A 26 0.062 -6.076 -3.082 1.00 0.00 C ATOM 0 H PHE A 26 3.274 -2.555 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 26 4.755 -4.834 -1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.331 -4.154 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.869 -5.674 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.076 -6.743 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.158 -4.060 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.675 -7.383 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.227 -4.744 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.983 -6.335 -3.001 1.00 0.00 H new ATOM 374 N GLY A 27 6.974 -3.737 -1.356 1.00 0.00 N ATOM 375 CA GLY A 27 8.299 -3.103 -1.384 1.00 0.00 C ATOM 376 C GLY A 27 9.285 -3.696 -0.386 1.00 0.00 C ATOM 377 O GLY A 27 9.069 -4.798 0.117 1.00 0.00 O ATOM 0 H GLY A 27 6.900 -4.492 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.714 -3.194 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.186 -2.038 -1.180 1.00 0.00 H new ATOM 381 N THR A 28 10.365 -2.964 -0.101 1.00 0.00 N ATOM 382 CA THR A 28 11.407 -3.297 0.886 1.00 0.00 C ATOM 383 C THR A 28 11.919 -2.024 1.549 1.00 0.00 C ATOM 384 O THR A 28 11.533 -0.916 1.189 1.00 0.00 O ATOM 385 CB THR A 28 12.569 -4.089 0.254 1.00 0.00 C ATOM 386 OG1 THR A 28 13.132 -3.331 -0.796 1.00 0.00 O ATOM 387 CG2 THR A 28 12.132 -5.469 -0.252 1.00 0.00 C ATOM 0 H THR A 28 10.550 -2.079 -0.573 1.00 0.00 H new ATOM 0 HA THR A 28 10.958 -3.940 1.643 1.00 0.00 H new ATOM 0 HB THR A 28 13.316 -4.265 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.080 -3.561 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.988 -5.985 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.741 -6.054 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.356 -5.350 -1.009 1.00 0.00 H new ATOM 395 N ASP A 29 12.803 -2.167 2.529 1.00 0.00 N ATOM 396 CA ASP A 29 13.428 -1.030 3.211 1.00 0.00 C ATOM 397 C ASP A 29 14.636 -0.463 2.437 1.00 0.00 C ATOM 398 O ASP A 29 15.209 0.547 2.855 1.00 0.00 O ATOM 399 CB ASP A 29 13.801 -1.444 4.645 1.00 0.00 C ATOM 400 CG ASP A 29 14.859 -2.553 4.683 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.500 -3.730 4.444 1.00 0.00 O ATOM 402 OD2 ASP A 29 16.041 -2.253 4.977 1.00 0.00 O ATOM 0 H ASP A 29 13.110 -3.075 2.877 1.00 0.00 H new ATOM 0 HA ASP A 29 12.706 -0.214 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.173 -0.573 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.906 -1.783 5.166 1.00 0.00 H new ATOM 406 N TRP A 30 15.018 -1.087 1.313 1.00 0.00 N ATOM 407 CA TRP A 30 16.301 -0.869 0.630 1.00 0.00 C ATOM 408 C TRP A 30 16.209 -0.492 -0.865 1.00 0.00 C ATOM 409 O TRP A 30 17.193 0.035 -1.387 1.00 0.00 O ATOM 410 CB TRP A 30 17.184 -2.108 0.855 1.00 0.00 C ATOM 411 CG TRP A 30 16.600 -3.454 0.546 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.169 -4.354 1.452 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.422 -4.089 -0.754 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.725 -5.496 0.811 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.844 -5.376 -0.558 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.678 -3.696 -2.088 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.502 -6.215 -1.629 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.341 -4.527 -3.166 1.00 0.00 C ATOM 419 CH2 TRP A 30 15.748 -5.782 -2.942 1.00 0.00 C ATOM 0 H TRP A 30 14.429 -1.774 0.843 1.00 0.00 H new ATOM 0 HA TRP A 30 16.749 0.019 1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.086 -1.989 0.254 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.495 -2.111 1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.170 -4.205 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.358 -6.319 1.288 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.141 -2.739 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.055 -7.181 -1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.539 -4.200 -4.176 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.482 -6.412 -3.778 1.00 0.00 H new ATOM 429 N CYS A 31 15.079 -0.693 -1.556 1.00 0.00 N ATOM 430 CA CYS A 31 14.906 -0.232 -2.942 1.00 0.00 C ATOM 431 C CYS A 31 14.898 1.309 -3.044 1.00 0.00 C ATOM 432 O CYS A 31 14.343 1.984 -2.174 1.00 0.00 O ATOM 433 CB CYS A 31 13.631 -0.839 -3.544 1.00 0.00 C ATOM 434 SG CYS A 31 13.355 -0.187 -5.228 1.00 0.00 S ATOM 0 H CYS A 31 14.265 -1.175 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 31 15.763 -0.577 -3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.717 -1.925 -3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.775 -0.606 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 31 12.344 -0.799 -5.770 1.00 0.00 H new ATOM 439 N GLY A 32 15.481 1.865 -4.112 1.00 0.00 N ATOM 440 CA GLY A 32 15.510 3.301 -4.400 1.00 0.00 C ATOM 441 C GLY A 32 14.145 3.897 -4.762 1.00 0.00 C ATOM 442 O GLY A 32 13.922 5.073 -4.485 1.00 0.00 O ATOM 0 H GLY A 32 15.960 1.310 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.904 3.827 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.202 3.481 -5.222 1.00 0.00 H new ATOM 446 N HIS A 33 13.203 3.107 -5.287 1.00 0.00 N ATOM 447 CA HIS A 33 11.802 3.529 -5.372 1.00 0.00 C ATOM 448 C HIS A 33 11.193 3.659 -3.964 1.00 0.00 C ATOM 449 O HIS A 33 10.557 4.665 -3.632 1.00 0.00 O ATOM 450 CB HIS A 33 10.983 2.511 -6.168 1.00 0.00 C ATOM 451 CG HIS A 33 11.245 2.421 -7.647 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.316 1.255 -8.382 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.117 3.441 -8.546 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.181 1.564 -9.684 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.076 2.899 -9.839 1.00 0.00 N ATOM 0 H HIS A 33 13.385 2.175 -5.658 1.00 0.00 H new ATOM 0 HA HIS A 33 11.774 4.496 -5.875 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.155 1.526 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.927 2.742 -6.026 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.448 0.318 -8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.057 4.491 -8.302 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.160 0.845 -10.490 1.00 0.00 H new ATOM 463 N CYS A 34 11.432 2.665 -3.103 1.00 0.00 N ATOM 464 CA CYS A 34 10.968 2.667 -1.718 1.00 0.00 C ATOM 465 C CYS A 34 11.529 3.829 -0.904 1.00 0.00 C ATOM 466 O CYS A 34 10.820 4.349 -0.049 1.00 0.00 O ATOM 467 CB CYS A 34 11.347 1.334 -1.073 1.00 0.00 C ATOM 468 SG CYS A 34 10.076 0.116 -1.523 1.00 0.00 S ATOM 0 H CYS A 34 11.959 1.829 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 34 9.886 2.797 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.328 1.008 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.409 1.438 0.010 1.00 0.00 H new ATOM 0 HG CYS A 34 9.515 -0.345 -0.444 1.00 0.00 H new ATOM 473 N GLN A 35 12.761 4.274 -1.143 1.00 0.00 N ATOM 474 CA GLN A 35 13.321 5.403 -0.388 1.00 0.00 C ATOM 475 C GLN A 35 12.557 6.712 -0.640 1.00 0.00 C ATOM 476 O GLN A 35 12.564 7.619 0.193 1.00 0.00 O ATOM 477 CB GLN A 35 14.794 5.646 -0.738 1.00 0.00 C ATOM 478 CG GLN A 35 15.725 4.449 -0.534 1.00 0.00 C ATOM 479 CD GLN A 35 15.538 3.687 0.770 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.829 4.161 1.861 1.00 0.00 O ATOM 481 NE2 GLN A 35 15.044 2.474 0.693 1.00 0.00 N ATOM 0 H GLN A 35 13.388 3.879 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 35 13.226 5.123 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.855 5.958 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.161 6.476 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.583 3.756 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.756 4.800 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.801 2.079 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.902 1.926 1.542 1.00 0.00 H new ATOM 488 N ALA A 36 11.897 6.805 -1.800 1.00 0.00 N ATOM 489 CA ALA A 36 11.075 7.933 -2.221 1.00 0.00 C ATOM 490 C ALA A 36 9.595 7.772 -1.832 1.00 0.00 C ATOM 491 O ALA A 36 8.955 8.746 -1.440 1.00 0.00 O ATOM 492 CB ALA A 36 11.234 8.096 -3.741 1.00 0.00 C ATOM 0 H ALA A 36 11.926 6.061 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 36 11.417 8.829 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.628 8.935 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.281 8.284 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.906 7.185 -4.241 1.00 0.00 H new ATOM 498 N ALA A 37 9.054 6.546 -1.911 1.00 0.00 N ATOM 499 CA ALA A 37 7.644 6.258 -1.633 1.00 0.00 C ATOM 500 C ALA A 37 7.348 6.091 -0.135 1.00 0.00 C ATOM 501 O ALA A 37 6.256 6.433 0.312 1.00 0.00 O ATOM 502 CB ALA A 37 7.224 5.024 -2.425 1.00 0.00 C ATOM 0 H ALA A 37 9.592 5.720 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 37 7.055 7.118 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.176 4.802 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.357 5.213 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.838 4.174 -2.127 1.00 0.00 H new ATOM 508 N GLN A 38 8.313 5.618 0.662 1.00 0.00 N ATOM 509 CA GLN A 38 8.152 5.481 2.115 1.00 0.00 C ATOM 510 C GLN A 38 7.821 6.811 2.816 1.00 0.00 C ATOM 511 O GLN A 38 6.788 6.860 3.492 1.00 0.00 O ATOM 512 CB GLN A 38 9.402 4.844 2.732 1.00 0.00 C ATOM 513 CG GLN A 38 9.424 3.318 2.568 1.00 0.00 C ATOM 514 CD GLN A 38 10.732 2.717 3.087 1.00 0.00 C ATOM 515 OE1 GLN A 38 10.798 2.047 4.114 1.00 0.00 O ATOM 516 NE2 GLN A 38 11.830 2.961 2.405 1.00 0.00 N ATOM 0 H GLN A 38 9.226 5.320 0.319 1.00 0.00 H new ATOM 0 HA GLN A 38 7.295 4.827 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.291 5.269 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.448 5.093 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.583 2.881 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.297 3.062 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.787 3.516 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.725 2.595 2.731 1.00 0.00 H new ATOM 523 N PRO A 39 8.608 7.900 2.654 1.00 0.00 N ATOM 524 CA PRO A 39 8.262 9.192 3.246 1.00 0.00 C ATOM 525 C PRO A 39 7.027 9.816 2.583 1.00 0.00 C ATOM 526 O PRO A 39 6.397 10.679 3.184 1.00 0.00 O ATOM 527 CB PRO A 39 9.500 10.074 3.078 1.00 0.00 C ATOM 528 CG PRO A 39 10.160 9.507 1.826 1.00 0.00 C ATOM 529 CD PRO A 39 9.881 8.009 1.952 1.00 0.00 C ATOM 0 HA PRO A 39 7.994 9.081 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.234 11.124 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.159 10.013 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.729 9.925 0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.229 9.720 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.828 7.537 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.676 7.508 2.504 1.00 0.00 H new ATOM 534 N LEU A 40 6.651 9.365 1.377 1.00 0.00 N ATOM 535 CA LEU A 40 5.443 9.818 0.693 1.00 0.00 C ATOM 536 C LEU A 40 4.224 9.321 1.456 1.00 0.00 C ATOM 537 O LEU A 40 3.423 10.134 1.931 1.00 0.00 O ATOM 538 CB LEU A 40 5.420 9.285 -0.755 1.00 0.00 C ATOM 539 CG LEU A 40 5.003 10.258 -1.859 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.772 11.088 -1.482 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.170 11.167 -2.263 1.00 0.00 C ATOM 0 H LEU A 40 7.183 8.672 0.851 1.00 0.00 H new ATOM 0 HA LEU A 40 5.431 10.907 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.417 8.914 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.745 8.430 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 40 4.722 9.650 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.522 11.761 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.930 10.423 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.987 11.672 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.845 11.848 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.500 11.742 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.996 10.557 -2.629 1.00 0.00 H new ATOM 552 N LEU A 41 4.125 7.996 1.622 1.00 0.00 N ATOM 553 CA LEU A 41 3.024 7.336 2.319 1.00 0.00 C ATOM 554 C LEU A 41 2.932 7.859 3.744 1.00 0.00 C ATOM 555 O LEU A 41 1.846 8.182 4.196 1.00 0.00 O ATOM 556 CB LEU A 41 3.152 5.799 2.312 1.00 0.00 C ATOM 557 CG LEU A 41 2.477 5.045 1.139 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.030 5.458 0.889 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.336 5.151 -0.122 1.00 0.00 C ATOM 0 H LEU A 41 4.824 7.344 1.267 1.00 0.00 H new ATOM 0 HA LEU A 41 2.106 7.573 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.212 5.547 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.734 5.419 3.244 1.00 0.00 H new ATOM 0 HG LEU A 41 2.415 3.997 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.628 4.886 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.436 5.262 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.991 6.521 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.851 4.617 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.455 6.200 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.316 4.712 0.067 1.00 0.00 H new ATOM 570 N ALA A 42 4.070 8.032 4.417 1.00 0.00 N ATOM 571 CA ALA A 42 4.144 8.582 5.771 1.00 0.00 C ATOM 572 C ALA A 42 3.521 9.986 5.882 1.00 0.00 C ATOM 573 O ALA A 42 2.823 10.275 6.857 1.00 0.00 O ATOM 574 CB ALA A 42 5.609 8.573 6.224 1.00 0.00 C ATOM 0 H ALA A 42 4.982 7.790 4.030 1.00 0.00 H new ATOM 0 HA ALA A 42 3.550 7.953 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.681 8.980 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.985 7.550 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.204 9.182 5.544 1.00 0.00 H new ATOM 580 N GLU A 43 3.731 10.840 4.874 1.00 0.00 N ATOM 581 CA GLU A 43 3.166 12.197 4.844 1.00 0.00 C ATOM 582 C GLU A 43 1.656 12.185 4.583 1.00 0.00 C ATOM 583 O GLU A 43 0.921 12.858 5.306 1.00 0.00 O ATOM 584 CB GLU A 43 3.873 13.053 3.786 1.00 0.00 C ATOM 585 CG GLU A 43 5.268 13.511 4.226 1.00 0.00 C ATOM 586 CD GLU A 43 5.211 14.700 5.200 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.030 15.852 4.740 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.362 14.489 6.425 1.00 0.00 O ATOM 0 H GLU A 43 4.296 10.612 4.056 1.00 0.00 H new ATOM 0 HA GLU A 43 3.330 12.634 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.958 12.482 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.261 13.928 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.788 12.679 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.850 13.791 3.348 1.00 0.00 H new ATOM 593 N VAL A 44 1.172 11.410 3.598 1.00 0.00 N ATOM 594 CA VAL A 44 -0.276 11.287 3.335 1.00 0.00 C ATOM 595 C VAL A 44 -1.026 10.626 4.507 1.00 0.00 C ATOM 596 O VAL A 44 -2.001 11.195 4.993 1.00 0.00 O ATOM 597 CB VAL A 44 -0.590 10.622 1.977 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.110 9.312 1.687 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.081 10.356 1.809 1.00 0.00 C ATOM 0 H VAL A 44 1.759 10.860 2.971 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.657 12.305 3.257 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.210 11.364 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.193 8.947 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.189 9.465 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.161 8.579 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.260 9.888 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.424 9.692 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.627 11.298 1.863 1.00 0.00 H new ATOM 609 N PHE A 45 -0.564 9.471 5.002 1.00 0.00 N ATOM 610 CA PHE A 45 -1.209 8.717 6.100 1.00 0.00 C ATOM 611 C PHE A 45 -1.382 9.529 7.391 1.00 0.00 C ATOM 612 O PHE A 45 -2.285 9.233 8.176 1.00 0.00 O ATOM 613 CB PHE A 45 -0.417 7.436 6.434 1.00 0.00 C ATOM 614 CG PHE A 45 -0.975 6.147 5.863 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.170 5.618 6.393 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.270 5.420 4.882 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.649 4.380 5.940 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.743 4.169 4.452 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.949 3.663 4.960 1.00 0.00 C ATOM 0 H PHE A 45 0.281 9.022 4.650 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.202 8.470 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.604 7.559 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.363 7.337 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.716 6.166 7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.637 5.826 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.563 3.976 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.178 3.597 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.337 2.723 4.597 1.00 0.00 H new ATOM 628 N SER A 46 -0.558 10.551 7.626 1.00 0.00 N ATOM 629 CA SER A 46 -0.677 11.437 8.793 1.00 0.00 C ATOM 630 C SER A 46 -2.003 12.236 8.821 1.00 0.00 C ATOM 631 O SER A 46 -2.410 12.694 9.893 1.00 0.00 O ATOM 632 CB SER A 46 0.519 12.398 8.851 1.00 0.00 C ATOM 633 OG SER A 46 1.731 11.717 9.133 1.00 0.00 O ATOM 0 H SER A 46 0.218 10.792 7.009 1.00 0.00 H new ATOM 0 HA SER A 46 -0.681 10.794 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.610 12.922 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.341 13.154 9.616 1.00 0.00 H new ATOM 0 HG SER A 46 2.041 11.253 8.327 1.00 0.00 H new ATOM 638 N ASP A 47 -2.698 12.380 7.685 1.00 0.00 N ATOM 639 CA ASP A 47 -4.035 12.996 7.596 1.00 0.00 C ATOM 640 C ASP A 47 -5.180 11.964 7.498 1.00 0.00 C ATOM 641 O ASP A 47 -6.349 12.344 7.588 1.00 0.00 O ATOM 642 CB ASP A 47 -4.041 13.955 6.393 1.00 0.00 C ATOM 643 CG ASP A 47 -5.207 14.964 6.447 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.333 15.679 7.473 1.00 0.00 O ATOM 645 OD2 ASP A 47 -5.962 15.089 5.454 1.00 0.00 O ATOM 0 H ASP A 47 -2.342 12.066 6.782 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.225 13.541 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.096 14.498 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.108 13.376 5.472 1.00 0.00 H new ATOM 649 N TYR A 48 -4.857 10.669 7.351 1.00 0.00 N ATOM 650 CA TYR A 48 -5.825 9.559 7.240 1.00 0.00 C ATOM 651 C TYR A 48 -5.557 8.377 8.216 1.00 0.00 C ATOM 652 O TYR A 48 -5.517 7.214 7.776 1.00 0.00 O ATOM 653 CB TYR A 48 -5.909 9.097 5.775 1.00 0.00 C ATOM 654 CG TYR A 48 -6.140 10.225 4.786 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.421 10.781 4.612 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.046 10.758 4.078 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.607 11.872 3.745 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.215 11.887 3.261 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.497 12.450 3.089 1.00 0.00 C ATOM 660 OH TYR A 48 -6.664 13.560 2.314 1.00 0.00 O ATOM 0 H TYR A 48 -3.888 10.353 7.304 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.795 9.946 7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.985 8.581 5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.717 8.372 5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.264 10.368 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.073 10.297 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.598 12.268 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.362 12.325 2.763 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.800 13.829 1.937 1.00 0.00 H new ATOM 669 N PRO A 49 -5.359 8.621 9.534 1.00 0.00 N ATOM 670 CA PRO A 49 -4.962 7.593 10.504 1.00 0.00 C ATOM 671 C PRO A 49 -6.003 6.473 10.705 1.00 0.00 C ATOM 672 O PRO A 49 -5.647 5.426 11.247 1.00 0.00 O ATOM 673 CB PRO A 49 -4.694 8.349 11.810 1.00 0.00 C ATOM 674 CG PRO A 49 -5.587 9.579 11.699 1.00 0.00 C ATOM 675 CD PRO A 49 -5.521 9.900 10.208 1.00 0.00 C ATOM 0 HA PRO A 49 -4.084 7.061 10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.948 7.746 12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.643 8.623 11.907 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.606 9.372 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.219 10.404 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.428 10.405 9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.687 10.566 9.988 1.00 0.00 H new ATOM 680 N GLU A 50 -7.255 6.656 10.262 1.00 0.00 N ATOM 681 CA GLU A 50 -8.280 5.602 10.269 1.00 0.00 C ATOM 682 C GLU A 50 -8.070 4.530 9.177 1.00 0.00 C ATOM 683 O GLU A 50 -8.686 3.465 9.255 1.00 0.00 O ATOM 684 CB GLU A 50 -9.693 6.191 10.218 1.00 0.00 C ATOM 685 CG GLU A 50 -10.057 6.920 8.922 1.00 0.00 C ATOM 686 CD GLU A 50 -9.705 8.411 8.977 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.497 8.736 8.878 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.629 9.244 9.141 1.00 0.00 O ATOM 0 H GLU A 50 -7.587 7.544 9.887 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.166 5.082 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.410 5.385 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.808 6.886 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.533 6.455 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.124 6.807 8.731 1.00 0.00 H new ATOM 693 N VAL A 51 -7.214 4.779 8.180 1.00 0.00 N ATOM 694 CA VAL A 51 -6.814 3.783 7.170 1.00 0.00 C ATOM 695 C VAL A 51 -5.686 2.920 7.755 1.00 0.00 C ATOM 696 O VAL A 51 -4.785 3.435 8.423 1.00 0.00 O ATOM 697 CB VAL A 51 -6.378 4.446 5.839 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.036 3.418 4.745 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.484 5.354 5.284 1.00 0.00 C ATOM 0 H VAL A 51 -6.772 5.688 8.047 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.674 3.157 6.931 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.486 5.023 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.737 3.940 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.217 2.784 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.911 2.801 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.150 5.805 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.382 4.764 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.707 6.139 6.007 1.00 0.00 H new ATOM 709 N GLY A 52 -5.719 1.609 7.498 1.00 0.00 N ATOM 710 CA GLY A 52 -4.657 0.665 7.869 1.00 0.00 C ATOM 711 C GLY A 52 -3.617 0.502 6.753 1.00 0.00 C ATOM 712 O GLY A 52 -3.940 0.662 5.579 1.00 0.00 O ATOM 0 H GLY A 52 -6.500 1.164 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.163 1.013 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.098 -0.305 8.098 1.00 0.00 H new ATOM 716 N HIS A 53 -2.378 0.144 7.095 1.00 0.00 N ATOM 717 CA HIS A 53 -1.314 -0.107 6.122 1.00 0.00 C ATOM 718 C HIS A 53 -0.670 -1.483 6.354 1.00 0.00 C ATOM 719 O HIS A 53 -0.341 -1.830 7.491 1.00 0.00 O ATOM 720 CB HIS A 53 -0.241 0.994 6.248 1.00 0.00 C ATOM 721 CG HIS A 53 0.649 1.193 5.037 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.844 1.883 5.034 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.383 0.866 3.731 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.276 1.969 3.762 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.415 1.360 2.935 1.00 0.00 N ATOM 0 H HIS A 53 -2.083 0.019 8.063 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.746 -0.096 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.741 1.938 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.391 0.762 7.105 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.318 2.262 5.854 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.479 0.319 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.187 2.459 3.452 1.00 0.00 H new ATOM 733 N LEU A 54 -0.445 -2.237 5.274 1.00 0.00 N ATOM 734 CA LEU A 54 0.329 -3.478 5.293 1.00 0.00 C ATOM 735 C LEU A 54 1.537 -3.320 4.364 1.00 0.00 C ATOM 736 O LEU A 54 1.441 -3.487 3.152 1.00 0.00 O ATOM 737 CB LEU A 54 -0.583 -4.670 4.912 1.00 0.00 C ATOM 738 CG LEU A 54 -0.161 -6.049 5.475 1.00 0.00 C ATOM 739 CD1 LEU A 54 1.330 -6.372 5.296 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.536 -6.170 6.956 1.00 0.00 C ATOM 0 H LEU A 54 -0.802 -1.997 4.349 1.00 0.00 H new ATOM 0 HA LEU A 54 0.710 -3.688 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.595 -4.453 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.623 -4.739 3.825 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.712 -6.780 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.542 -7.355 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.578 -6.371 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.929 -5.620 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.230 -7.147 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.031 -5.389 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.615 -6.060 7.068 1.00 0.00 H new ATOM 751 N LYS A 55 2.700 -3.020 4.946 1.00 0.00 N ATOM 752 CA LYS A 55 3.994 -2.991 4.264 1.00 0.00 C ATOM 753 C LYS A 55 4.509 -4.423 4.026 1.00 0.00 C ATOM 754 O LYS A 55 5.247 -4.954 4.857 1.00 0.00 O ATOM 755 CB LYS A 55 4.978 -2.159 5.109 1.00 0.00 C ATOM 756 CG LYS A 55 4.927 -0.666 4.789 1.00 0.00 C ATOM 757 CD LYS A 55 5.692 0.221 5.788 1.00 0.00 C ATOM 758 CE LYS A 55 5.117 0.161 7.217 1.00 0.00 C ATOM 759 NZ LYS A 55 5.607 1.298 8.048 1.00 0.00 N ATOM 0 H LYS A 55 2.768 -2.783 5.936 1.00 0.00 H new ATOM 0 HA LYS A 55 3.893 -2.524 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.755 -2.306 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.991 -2.526 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.336 -0.506 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.885 -0.347 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.737 -0.087 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.671 1.253 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.028 0.182 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.399 -0.782 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.202 1.229 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.645 1.262 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.316 2.197 7.613 1.00 0.00 H new ATOM 769 N VAL A 56 4.132 -5.046 2.912 1.00 0.00 N ATOM 770 CA VAL A 56 4.587 -6.387 2.515 1.00 0.00 C ATOM 771 C VAL A 56 6.026 -6.301 2.067 1.00 0.00 C ATOM 772 O VAL A 56 6.339 -5.619 1.092 1.00 0.00 O ATOM 773 CB VAL A 56 3.750 -6.994 1.364 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.212 -8.431 1.062 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.245 -6.997 1.660 1.00 0.00 C ATOM 0 H VAL A 56 3.487 -4.628 2.241 1.00 0.00 H new ATOM 0 HA VAL A 56 4.471 -7.036 3.383 1.00 0.00 H new ATOM 0 HB VAL A 56 3.914 -6.357 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.613 -8.843 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.262 -8.422 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.089 -9.047 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.709 -7.434 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.052 -7.585 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.903 -5.974 1.816 1.00 0.00 H new ATOM 785 N GLU A 57 6.887 -7.031 2.775 1.00 0.00 N ATOM 786 CA GLU A 57 8.250 -7.268 2.335 1.00 0.00 C ATOM 787 C GLU A 57 8.218 -8.206 1.119 1.00 0.00 C ATOM 788 O GLU A 57 7.990 -9.412 1.244 1.00 0.00 O ATOM 789 CB GLU A 57 9.093 -7.793 3.499 1.00 0.00 C ATOM 790 CG GLU A 57 10.548 -7.468 3.216 1.00 0.00 C ATOM 791 CD GLU A 57 11.479 -8.072 4.275 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.567 -7.522 5.399 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.124 -9.109 3.990 1.00 0.00 O ATOM 0 H GLU A 57 6.655 -7.471 3.666 1.00 0.00 H new ATOM 0 HA GLU A 57 8.729 -6.342 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.776 -7.333 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.959 -8.869 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.821 -7.848 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.681 -6.386 3.188 1.00 0.00 H new ATOM 894 N GLY A 65 2.529 -8.986 -4.494 1.00 0.00 N ATOM 895 CA GLY A 65 2.257 -8.194 -5.708 1.00 0.00 C ATOM 896 C GLY A 65 2.051 -9.031 -6.977 1.00 0.00 C ATOM 897 O GLY A 65 1.341 -8.597 -7.885 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.368 -7.587 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.086 -7.506 -5.872 1.00 0.00 H new ATOM 901 N ARG A 66 2.595 -10.251 -7.027 1.00 0.00 N ATOM 902 CA ARG A 66 2.338 -11.226 -8.098 1.00 0.00 C ATOM 903 C ARG A 66 0.867 -11.663 -8.108 1.00 0.00 C ATOM 904 O ARG A 66 0.213 -11.621 -9.146 1.00 0.00 O ATOM 905 CB ARG A 66 3.257 -12.445 -7.903 1.00 0.00 C ATOM 906 CG ARG A 66 3.366 -13.345 -9.142 1.00 0.00 C ATOM 907 CD ARG A 66 4.425 -14.429 -8.899 1.00 0.00 C ATOM 908 NE ARG A 66 4.578 -15.315 -10.072 1.00 0.00 N ATOM 909 CZ ARG A 66 5.626 -15.401 -10.886 1.00 0.00 C ATOM 910 NH1 ARG A 66 6.712 -14.667 -10.748 1.00 0.00 N ATOM 911 NH2 ARG A 66 5.587 -16.257 -11.886 1.00 0.00 N ATOM 0 H ARG A 66 3.237 -10.597 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 66 2.550 -10.757 -9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.253 -12.097 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.886 -13.038 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.402 -13.806 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.634 -12.749 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.382 -13.959 -8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.146 -15.022 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 66 3.791 -15.930 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.778 -13.991 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.487 -14.775 -11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.762 -16.840 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.382 -16.337 -12.520 1.00 0.00 H new ATOM 922 N SER A 67 0.315 -11.984 -6.940 1.00 0.00 N ATOM 923 CA SER A 67 -1.076 -12.426 -6.776 1.00 0.00 C ATOM 924 C SER A 67 -2.069 -11.278 -7.005 1.00 0.00 C ATOM 925 O SER A 67 -3.181 -11.497 -7.474 1.00 0.00 O ATOM 926 CB SER A 67 -1.276 -13.001 -5.363 1.00 0.00 C ATOM 927 OG SER A 67 -0.266 -13.948 -5.027 1.00 0.00 O ATOM 0 H SER A 67 0.830 -11.945 -6.060 1.00 0.00 H new ATOM 0 HA SER A 67 -1.270 -13.194 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.268 -12.189 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.255 -13.476 -5.300 1.00 0.00 H new ATOM 0 HG SER A 67 -0.426 -14.289 -4.122 1.00 0.00 H new ATOM 932 N PHE A 68 -1.649 -10.033 -6.740 1.00 0.00 N ATOM 933 CA PHE A 68 -2.371 -8.796 -7.045 1.00 0.00 C ATOM 934 C PHE A 68 -2.246 -8.352 -8.519 1.00 0.00 C ATOM 935 O PHE A 68 -2.865 -7.364 -8.915 1.00 0.00 O ATOM 936 CB PHE A 68 -1.869 -7.699 -6.109 1.00 0.00 C ATOM 937 CG PHE A 68 -2.572 -7.683 -4.770 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.216 -8.596 -3.764 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.570 -6.728 -4.527 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.786 -8.500 -2.489 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.141 -6.624 -3.249 1.00 0.00 C ATOM 942 CZ PHE A 68 -3.727 -7.494 -2.220 1.00 0.00 C ATOM 0 H PHE A 68 -0.753 -9.856 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.433 -8.986 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.799 -7.831 -5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.001 -6.731 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.499 -9.376 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.898 -6.074 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.503 -9.198 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.897 -5.878 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.134 -7.387 -1.225 1.00 0.00 H new ATOM 951 N GLN A 69 -1.446 -9.067 -9.320 1.00 0.00 N ATOM 952 CA GLN A 69 -1.233 -8.850 -10.757 1.00 0.00 C ATOM 953 C GLN A 69 -0.539 -7.497 -11.025 1.00 0.00 C ATOM 954 O GLN A 69 -0.847 -6.808 -11.996 1.00 0.00 O ATOM 955 CB GLN A 69 -2.543 -9.003 -11.564 1.00 0.00 C ATOM 956 CG GLN A 69 -3.357 -10.289 -11.294 1.00 0.00 C ATOM 957 CD GLN A 69 -4.692 -9.990 -10.612 1.00 0.00 C ATOM 958 OE1 GLN A 69 -5.660 -9.576 -11.236 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.802 -10.151 -9.312 1.00 0.00 N ATOM 0 H GLN A 69 -0.902 -9.853 -8.965 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.559 -9.632 -11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.179 -8.143 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.299 -8.967 -12.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.539 -10.807 -12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.773 -10.963 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.008 -10.495 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.681 -9.932 -8.844 1.00 0.00 H new ATOM 966 N VAL A 70 0.360 -7.069 -10.131 1.00 0.00 N ATOM 967 CA VAL A 70 1.033 -5.759 -10.189 1.00 0.00 C ATOM 968 C VAL A 70 1.983 -5.687 -11.398 1.00 0.00 C ATOM 969 O VAL A 70 2.860 -6.536 -11.570 1.00 0.00 O ATOM 970 CB VAL A 70 1.759 -5.466 -8.859 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.686 -4.242 -8.926 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.738 -5.244 -7.731 1.00 0.00 C ATOM 0 H VAL A 70 0.648 -7.632 -9.330 1.00 0.00 H new ATOM 0 HA VAL A 70 0.281 -4.982 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 70 2.378 -6.341 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.164 -4.094 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.450 -4.405 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.103 -3.357 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.264 -5.038 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.098 -4.398 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.126 -6.138 -7.613 1.00 0.00 H new ATOM 982 N LYS A 71 1.809 -4.656 -12.228 1.00 0.00 N ATOM 983 CA LYS A 71 2.557 -4.451 -13.481 1.00 0.00 C ATOM 984 C LYS A 71 3.996 -3.946 -13.253 1.00 0.00 C ATOM 985 O LYS A 71 4.935 -4.438 -13.882 1.00 0.00 O ATOM 986 CB LYS A 71 1.790 -3.445 -14.364 1.00 0.00 C ATOM 987 CG LYS A 71 0.909 -4.110 -15.430 1.00 0.00 C ATOM 988 CD LYS A 71 -0.214 -5.023 -14.914 1.00 0.00 C ATOM 989 CE LYS A 71 -1.257 -4.284 -14.064 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.149 -3.419 -14.882 1.00 0.00 N ATOM 0 H LYS A 71 1.128 -3.919 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 71 2.640 -5.421 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.165 -2.818 -13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.506 -2.786 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.459 -3.326 -16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.551 -4.696 -16.087 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.713 -5.489 -15.764 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.224 -5.826 -14.321 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.860 -5.012 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.747 -3.673 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.835 -2.943 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.579 -2.706 -15.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.658 -4.003 -15.576 1.00 0.00 H new ATOM 1000 N LEU A 72 4.155 -2.978 -12.346 1.00 0.00 N ATOM 1001 CA LEU A 72 5.445 -2.417 -11.933 1.00 0.00 C ATOM 1002 C LEU A 72 5.958 -3.213 -10.712 1.00 0.00 C ATOM 1003 O LEU A 72 5.958 -4.443 -10.746 1.00 0.00 O ATOM 1004 CB LEU A 72 5.247 -0.899 -11.699 1.00 0.00 C ATOM 1005 CG LEU A 72 6.555 -0.075 -11.681 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.173 0.053 -13.078 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.274 1.328 -11.140 1.00 0.00 C ATOM 0 H LEU A 72 3.365 -2.550 -11.864 1.00 0.00 H new ATOM 0 HA LEU A 72 6.222 -2.512 -12.691 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.596 -0.506 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.729 -0.755 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 72 7.261 -0.602 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.090 0.639 -13.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.402 -0.939 -13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.467 0.550 -13.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.198 1.906 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.543 1.825 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.880 1.255 -10.126 1.00 0.00 H new ATOM 1018 N TRP A 73 6.351 -2.535 -9.630 1.00 0.00 N ATOM 1019 CA TRP A 73 6.605 -3.146 -8.324 1.00 0.00 C ATOM 1020 C TRP A 73 6.326 -2.195 -7.140 1.00 0.00 C ATOM 1021 O TRP A 73 5.585 -2.622 -6.252 1.00 0.00 O ATOM 1022 CB TRP A 73 8.031 -3.693 -8.278 1.00 0.00 C ATOM 1023 CG TRP A 73 8.352 -4.486 -7.049 1.00 0.00 C ATOM 1024 CD1 TRP A 73 7.864 -5.706 -6.739 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.214 -4.109 -5.944 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.408 -6.130 -5.544 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.278 -5.191 -5.024 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.950 -2.949 -5.644 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.104 -5.153 -3.889 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.753 -2.886 -4.493 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.855 -3.992 -3.634 1.00 0.00 C ATOM 0 H TRP A 73 6.504 -1.527 -9.638 1.00 0.00 H new ATOM 0 HA TRP A 73 5.899 -3.969 -8.208 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.194 -4.321 -9.154 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.729 -2.859 -8.350 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.157 -6.264 -7.335 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.195 -7.024 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.897 -2.097 -6.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.161 -6.001 -3.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.296 -1.980 -4.267 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.511 -3.951 -2.777 1.00 0.00 H new ATOM 1041 N PRO A 74 6.826 -0.931 -7.110 1.00 0.00 N ATOM 1042 CA PRO A 74 6.437 0.024 -6.086 1.00 0.00 C ATOM 1043 C PRO A 74 4.996 0.468 -6.359 1.00 0.00 C ATOM 1044 O PRO A 74 4.718 1.305 -7.216 1.00 0.00 O ATOM 1045 CB PRO A 74 7.435 1.188 -6.176 1.00 0.00 C ATOM 1046 CG PRO A 74 7.790 1.184 -7.656 1.00 0.00 C ATOM 1047 CD PRO A 74 7.823 -0.306 -7.974 1.00 0.00 C ATOM 0 HA PRO A 74 6.462 -0.393 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.989 2.133 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.309 1.026 -5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.047 1.712 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.751 1.662 -7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.594 -0.485 -9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.814 -0.721 -7.789 1.00 0.00 H new ATOM 1052 N THR A 75 4.061 -0.174 -5.667 1.00 0.00 N ATOM 1053 CA THR A 75 2.628 -0.139 -5.959 1.00 0.00 C ATOM 1054 C THR A 75 1.894 -0.556 -4.701 1.00 0.00 C ATOM 1055 O THR A 75 2.264 -1.529 -4.046 1.00 0.00 O ATOM 1056 CB THR A 75 2.284 -1.104 -7.106 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.852 -0.626 -8.303 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.784 -1.277 -7.333 1.00 0.00 C ATOM 0 H THR A 75 4.285 -0.754 -4.859 1.00 0.00 H new ATOM 0 HA THR A 75 2.334 0.865 -6.267 1.00 0.00 H new ATOM 0 HB THR A 75 2.688 -2.075 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.636 -1.240 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.618 -1.971 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.322 -1.671 -6.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.339 -0.312 -7.577 1.00 0.00 H new ATOM 1066 N PHE A 76 0.829 0.174 -4.400 1.00 0.00 N ATOM 1067 CA PHE A 76 0.009 -0.046 -3.222 1.00 0.00 C ATOM 1068 C PHE A 76 -1.469 -0.039 -3.612 1.00 0.00 C ATOM 1069 O PHE A 76 -1.957 0.875 -4.284 1.00 0.00 O ATOM 1070 CB PHE A 76 0.352 0.965 -2.114 1.00 0.00 C ATOM 1071 CG PHE A 76 0.816 2.317 -2.592 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.161 2.514 -2.965 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.101 3.369 -2.677 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.585 3.752 -3.454 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.335 4.613 -3.133 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.659 4.803 -3.554 1.00 0.00 C ATOM 0 H PHE A 76 0.507 0.949 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 76 0.226 -1.029 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.529 1.103 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.129 0.536 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.868 1.703 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.133 3.220 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.613 3.899 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.357 5.442 -3.162 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.967 5.757 -3.955 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.152 -1.107 -3.212 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.527 -1.443 -3.594 1.00 0.00 C ATOM 1087 C VAL A 77 -4.450 -1.179 -2.410 1.00 0.00 C ATOM 1088 O VAL A 77 -4.268 -1.743 -1.327 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.630 -2.906 -4.076 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.044 -3.229 -4.574 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.622 -3.184 -5.207 1.00 0.00 C ATOM 0 H VAL A 77 -1.745 -1.798 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.833 -0.814 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.400 -3.543 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.085 -4.266 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.758 -3.079 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.296 -2.571 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.714 -4.221 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.828 -2.523 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.610 -3.005 -4.844 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.432 -0.308 -2.616 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.404 0.086 -1.598 1.00 0.00 C ATOM 1103 C PHE A 78 -7.534 -0.954 -1.583 1.00 0.00 C ATOM 1104 O PHE A 78 -8.270 -1.109 -2.567 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.928 1.516 -1.855 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.898 2.638 -1.783 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.977 2.808 -2.835 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.815 3.493 -0.659 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.965 3.777 -2.752 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.818 4.488 -0.592 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.896 4.630 -1.645 1.00 0.00 C ATOM 0 H PHE A 78 -5.579 0.154 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.932 0.110 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.389 1.539 -2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.715 1.727 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.050 2.186 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.519 3.383 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.237 3.865 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.762 5.140 0.267 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.136 5.396 -1.599 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.666 -1.687 -0.474 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.733 -2.652 -0.220 1.00 0.00 C ATOM 1122 C LEU A 79 -9.740 -2.086 0.793 1.00 0.00 C ATOM 1123 O LEU A 79 -9.381 -1.284 1.655 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.148 -3.988 0.284 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.964 -5.032 -0.827 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.953 -4.615 -1.885 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.569 -6.382 -0.218 1.00 0.00 C ATOM 0 H LEU A 79 -7.005 -1.620 0.300 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.257 -2.840 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.185 -3.799 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.805 -4.397 1.051 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.924 -5.120 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.872 -5.398 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.281 -3.689 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.981 -4.459 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.441 -7.116 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.633 -6.274 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.352 -6.717 0.462 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.998 -2.531 0.705 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.111 -2.185 1.602 1.00 0.00 C ATOM 1140 C ARG A 80 -13.277 -3.148 1.333 1.00 0.00 C ATOM 1141 O ARG A 80 -13.562 -3.474 0.178 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.535 -0.719 1.365 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.383 -0.134 2.495 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.734 1.329 2.201 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.720 1.425 1.105 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.843 2.393 0.205 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.029 3.429 0.143 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -15.810 2.317 -0.678 1.00 0.00 N ATOM 0 H ARG A 80 -11.284 -3.176 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.804 -2.282 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.642 -0.107 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.096 -0.659 0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.297 -0.717 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.840 -0.201 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.136 1.798 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.831 1.877 1.932 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.386 0.656 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.260 3.514 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.169 4.145 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.451 1.524 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.921 3.051 -1.378 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.918 -3.642 2.389 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.983 -4.666 2.338 1.00 0.00 C ATOM 1161 C ASP A 81 -14.495 -6.011 1.742 1.00 0.00 C ATOM 1162 O ASP A 81 -15.271 -6.777 1.173 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.238 -4.098 1.638 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.512 -4.908 1.928 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.801 -5.174 3.119 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.253 -5.234 0.968 1.00 0.00 O ATOM 0 H ASP A 81 -13.711 -3.337 3.340 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.267 -4.911 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.390 -3.067 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.067 -4.075 0.562 1.00 0.00 H new ATOM 1170 N GLY A 82 -13.181 -6.260 1.816 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.495 -7.437 1.266 1.00 0.00 C ATOM 1172 C GLY A 82 -12.157 -7.347 -0.225 1.00 0.00 C ATOM 1173 O GLY A 82 -11.408 -8.192 -0.711 1.00 0.00 O ATOM 0 H GLY A 82 -12.539 -5.619 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.572 -7.596 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.121 -8.314 1.430 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.668 -6.337 -0.945 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.446 -6.100 -2.368 1.00 0.00 C ATOM 1179 C ARG A 83 -11.407 -4.990 -2.563 1.00 0.00 C ATOM 1180 O ARG A 83 -11.285 -4.085 -1.735 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.783 -5.713 -3.026 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.846 -6.132 -4.501 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.907 -5.346 -5.280 1.00 0.00 C ATOM 1184 NE ARG A 83 -14.426 -3.984 -5.551 1.00 0.00 N ATOM 1185 CZ ARG A 83 -15.115 -2.935 -5.970 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -16.411 -2.982 -6.203 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.468 -1.805 -6.157 1.00 0.00 N ATOM 0 H ARG A 83 -13.275 -5.633 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.064 -7.007 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.603 -6.182 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.925 -4.635 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.871 -5.979 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.065 -7.198 -4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.132 -5.854 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.834 -5.306 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.430 -3.827 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.923 -3.852 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.902 -2.148 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.465 -1.756 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.970 -0.977 -6.480 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.678 -5.020 -3.674 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.904 -3.863 -4.146 1.00 0.00 C ATOM 1200 C GLU A 84 -10.878 -2.739 -4.534 1.00 0.00 C ATOM 1201 O GLU A 84 -11.790 -2.942 -5.334 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.976 -4.255 -5.309 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.360 -3.058 -6.051 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.376 -3.457 -7.164 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.078 -4.661 -7.337 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.878 -2.563 -7.881 1.00 0.00 O ATOM 0 H GLU A 84 -10.603 -5.841 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.256 -3.502 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.172 -4.882 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.538 -4.860 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.161 -2.460 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.842 -2.424 -5.331 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.671 -1.550 -3.971 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.418 -0.326 -4.318 1.00 0.00 C ATOM 1213 C VAL A 85 -10.634 0.591 -5.261 1.00 0.00 C ATOM 1214 O VAL A 85 -11.249 1.355 -6.008 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.864 0.459 -3.064 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.000 -0.300 -2.365 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.723 0.722 -2.057 1.00 0.00 C ATOM 0 H VAL A 85 -9.968 -1.400 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.310 -0.665 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.201 1.436 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.316 0.252 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.843 -0.403 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.649 -1.289 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.112 1.277 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.313 -0.228 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.938 1.303 -2.541 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.303 0.485 -5.258 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.372 1.232 -6.109 1.00 0.00 C ATOM 1229 C ALA A 86 -6.946 0.685 -5.972 1.00 0.00 C ATOM 1230 O ALA A 86 -6.679 -0.168 -5.127 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.398 2.708 -5.697 1.00 0.00 C ATOM 0 H ALA A 86 -8.820 -0.157 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.680 1.125 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.708 3.273 -6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.407 3.102 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.097 2.800 -4.653 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.000 1.277 -6.702 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.569 1.169 -6.435 1.00 0.00 C ATOM 1239 C ARG A 87 -3.819 2.377 -6.994 1.00 0.00 C ATOM 1240 O ARG A 87 -4.292 3.029 -7.924 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.011 -0.154 -6.963 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.069 -0.310 -8.485 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.331 -1.594 -8.864 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.139 -2.800 -8.607 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.740 -4.058 -8.754 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.539 -4.379 -9.187 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.555 -5.044 -8.454 1.00 0.00 N ATOM 0 H ARG A 87 -6.214 1.857 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.418 1.169 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.974 -0.250 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.564 -0.974 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.104 -0.353 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.610 0.550 -8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.062 -1.558 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.400 -1.656 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.096 -2.654 -8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.870 -3.647 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.277 -5.360 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.493 -4.843 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.249 -6.011 -8.567 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.651 2.662 -6.428 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.734 3.709 -6.914 1.00 0.00 C ATOM 1260 C VAL A 88 -0.398 3.053 -7.280 1.00 0.00 C ATOM 1261 O VAL A 88 0.150 2.296 -6.482 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.557 4.805 -5.841 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.437 5.805 -6.183 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.840 5.601 -5.528 1.00 0.00 C ATOM 0 H VAL A 88 -2.302 2.170 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.145 4.192 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.284 4.237 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.361 6.551 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.510 5.273 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.667 6.300 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.627 6.349 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.191 6.096 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.610 4.921 -5.164 1.00 0.00 H new ATOM 1274 N VAL A 89 0.105 3.342 -8.482 1.00 0.00 N ATOM 1275 CA VAL A 89 1.372 2.822 -9.029 1.00 0.00 C ATOM 1276 C VAL A 89 2.364 3.985 -9.156 1.00 0.00 C ATOM 1277 O VAL A 89 2.018 5.018 -9.732 1.00 0.00 O ATOM 1278 CB VAL A 89 1.145 2.172 -10.421 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.457 1.712 -11.081 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.188 0.970 -10.339 1.00 0.00 C ATOM 0 H VAL A 89 -0.373 3.968 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 89 1.767 2.059 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 89 0.700 2.954 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.239 1.265 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.116 2.569 -11.216 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.946 0.975 -10.444 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.055 0.543 -11.333 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.607 0.216 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.777 1.299 -9.953 1.00 0.00 H new ATOM 1290 N ARG A 90 3.582 3.797 -8.635 1.00 0.00 N ATOM 1291 CA ARG A 90 4.734 4.724 -8.738 1.00 0.00 C ATOM 1292 C ARG A 90 4.385 6.191 -8.329 1.00 0.00 C ATOM 1293 O ARG A 90 4.155 7.019 -9.223 1.00 0.00 O ATOM 1294 CB ARG A 90 5.357 4.636 -10.148 1.00 0.00 C ATOM 1295 CG ARG A 90 6.868 4.889 -10.076 1.00 0.00 C ATOM 1296 CD ARG A 90 7.530 4.860 -11.461 1.00 0.00 C ATOM 1297 NE ARG A 90 9.002 4.748 -11.344 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.922 5.499 -11.935 1.00 0.00 C ATOM 1299 NH1 ARG A 90 9.625 6.505 -12.736 1.00 0.00 N ATOM 1300 NH2 ARG A 90 11.184 5.231 -11.700 1.00 0.00 N ATOM 0 H ARG A 90 3.810 2.957 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 90 5.480 4.403 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.166 3.653 -10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.889 5.368 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.050 5.857 -9.609 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.330 4.135 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.142 4.019 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.273 5.766 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 90 9.350 4.006 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.650 6.736 -12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.371 7.052 -13.166 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.435 4.463 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.915 5.791 -12.140 1.00 0.00 H new ATOM 1311 N PRO A 91 4.296 6.530 -7.028 1.00 0.00 N ATOM 1312 CA PRO A 91 3.828 7.842 -6.568 1.00 0.00 C ATOM 1313 C PRO A 91 4.724 8.976 -7.088 1.00 0.00 C ATOM 1314 O PRO A 91 5.939 8.951 -6.890 1.00 0.00 O ATOM 1315 CB PRO A 91 3.831 7.788 -5.041 1.00 0.00 C ATOM 1316 CG PRO A 91 4.775 6.630 -4.703 1.00 0.00 C ATOM 1317 CD PRO A 91 4.626 5.683 -5.895 1.00 0.00 C ATOM 0 HA PRO A 91 2.830 8.053 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.183 8.726 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.830 7.612 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.804 6.972 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.495 6.145 -3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.548 5.130 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.843 4.946 -5.715 1.00 0.00 H new ATOM 1322 N GLY A 92 4.109 9.981 -7.724 1.00 0.00 N ATOM 1323 CA GLY A 92 4.807 11.145 -8.280 1.00 0.00 C ATOM 1324 C GLY A 92 4.987 12.294 -7.281 1.00 0.00 C ATOM 1325 O GLY A 92 5.962 13.040 -7.363 1.00 0.00 O ATOM 0 H GLY A 92 3.100 10.008 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.787 10.832 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.253 11.511 -9.144 1.00 0.00 H new ATOM 1329 N SER A 93 4.069 12.430 -6.325 1.00 0.00 N ATOM 1330 CA SER A 93 3.983 13.541 -5.376 1.00 0.00 C ATOM 1331 C SER A 93 2.885 13.278 -4.332 1.00 0.00 C ATOM 1332 O SER A 93 1.937 12.528 -4.590 1.00 0.00 O ATOM 1333 CB SER A 93 3.645 14.847 -6.107 1.00 0.00 C ATOM 1334 OG SER A 93 2.407 14.746 -6.799 1.00 0.00 O ATOM 0 H SER A 93 3.332 11.739 -6.184 1.00 0.00 H new ATOM 0 HA SER A 93 4.951 13.628 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.597 15.666 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.440 15.088 -6.813 1.00 0.00 H new ATOM 0 HG SER A 93 1.815 15.475 -6.518 1.00 0.00 H new ATOM 1339 N ALA A 94 2.949 13.949 -3.172 1.00 0.00 N ATOM 1340 CA ALA A 94 1.875 13.898 -2.180 1.00 0.00 C ATOM 1341 C ALA A 94 0.544 14.384 -2.764 1.00 0.00 C ATOM 1342 O ALA A 94 -0.489 13.807 -2.466 1.00 0.00 O ATOM 1343 CB ALA A 94 2.310 14.671 -0.927 1.00 0.00 C ATOM 0 H ALA A 94 3.739 14.535 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 94 1.695 12.864 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.514 14.637 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.211 14.218 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.514 15.708 -1.192 1.00 0.00 H new ATOM 1349 N SER A 95 0.552 15.343 -3.686 1.00 0.00 N ATOM 1350 CA SER A 95 -0.666 15.803 -4.368 1.00 0.00 C ATOM 1351 C SER A 95 -1.336 14.716 -5.241 1.00 0.00 C ATOM 1352 O SER A 95 -2.541 14.798 -5.459 1.00 0.00 O ATOM 1353 CB SER A 95 -0.372 17.072 -5.178 1.00 0.00 C ATOM 1354 OG SER A 95 0.770 16.937 -6.019 1.00 0.00 O ATOM 0 H SER A 95 1.399 15.826 -3.985 1.00 0.00 H new ATOM 0 HA SER A 95 -1.393 16.036 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.241 17.317 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.218 17.907 -4.494 1.00 0.00 H new ATOM 0 HG SER A 95 0.912 17.771 -6.514 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.610 13.674 -5.674 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.173 12.477 -6.341 1.00 0.00 C ATOM 1361 C VAL A 96 -1.559 11.396 -5.320 1.00 0.00 C ATOM 1362 O VAL A 96 -2.616 10.783 -5.452 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.182 11.926 -7.396 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.600 10.554 -7.956 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.043 12.901 -8.582 1.00 0.00 C ATOM 0 H VAL A 96 0.404 13.633 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.086 12.776 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 96 0.768 11.814 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.134 10.222 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.653 9.830 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.577 10.638 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.658 12.492 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.015 13.040 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.327 13.861 -8.222 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.736 11.165 -4.289 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.001 10.130 -3.286 1.00 0.00 C ATOM 1377 C LEU A 97 -2.191 10.497 -2.383 1.00 0.00 C ATOM 1378 O LEU A 97 -3.132 9.717 -2.264 1.00 0.00 O ATOM 1379 CB LEU A 97 0.295 9.836 -2.491 1.00 0.00 C ATOM 1380 CG LEU A 97 0.651 8.330 -2.483 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.960 8.060 -1.760 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.498 7.551 -1.846 1.00 0.00 C ATOM 0 H LEU A 97 0.126 11.687 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.298 9.211 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.121 10.400 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.176 10.184 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 97 0.791 7.999 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.172 6.991 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.767 8.598 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.881 8.397 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.256 6.488 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.650 7.898 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.409 7.710 -2.423 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.200 11.701 -1.816 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.317 12.255 -1.035 1.00 0.00 C ATOM 1395 C GLU A 98 -4.640 12.282 -1.817 1.00 0.00 C ATOM 1396 O GLU A 98 -5.689 11.985 -1.251 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.000 13.681 -0.558 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.829 13.809 0.432 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.658 15.275 0.867 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -0.954 16.050 0.179 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.233 15.660 1.914 1.00 0.00 O ATOM 0 H GLU A 98 -1.409 12.342 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.440 11.589 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.782 14.296 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.894 14.095 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.011 13.182 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.910 13.450 -0.032 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.599 12.589 -3.120 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.774 12.601 -4.008 1.00 0.00 C ATOM 1408 C GLU A 99 -6.449 11.227 -4.116 1.00 0.00 C ATOM 1409 O GLU A 99 -7.673 11.137 -4.219 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.340 13.074 -5.405 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.410 12.897 -6.487 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.112 13.750 -7.728 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.567 14.919 -7.789 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.439 13.256 -8.666 1.00 0.00 O ATOM 0 H GLU A 99 -3.734 12.841 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.507 13.283 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.065 14.127 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.446 12.526 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.468 11.847 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.384 13.171 -6.083 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.670 10.150 -4.076 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.214 8.802 -3.985 1.00 0.00 C ATOM 1421 C ALA A 100 -6.679 8.483 -2.562 1.00 0.00 C ATOM 1422 O ALA A 100 -7.789 7.981 -2.392 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.156 7.829 -4.501 1.00 0.00 C ATOM 0 H ALA A 100 -4.651 10.188 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.106 8.708 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.539 6.810 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.916 8.068 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.256 7.913 -3.891 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.900 8.816 -1.531 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.263 8.525 -0.143 1.00 0.00 C ATOM 1431 C PHE A 101 -7.619 9.122 0.248 1.00 0.00 C ATOM 1432 O PHE A 101 -8.478 8.390 0.740 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.170 9.017 0.799 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.188 7.938 1.216 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.238 7.417 0.307 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.218 7.463 2.537 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.312 6.463 0.743 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.289 6.500 2.963 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.327 6.010 2.062 1.00 0.00 C ATOM 0 H PHE A 101 -5.004 9.293 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.358 7.443 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.623 9.825 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.634 9.437 1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.227 7.754 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.958 7.840 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.579 6.074 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.313 6.137 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.600 5.283 2.391 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.854 10.409 -0.033 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.150 11.052 0.208 1.00 0.00 C ATOM 1450 C GLU A 102 -10.297 10.382 -0.553 1.00 0.00 C ATOM 1451 O GLU A 102 -11.413 10.265 -0.046 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.132 12.556 -0.112 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.750 12.934 -1.546 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.956 13.366 -2.396 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.382 14.540 -2.272 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.463 12.558 -3.207 1.00 0.00 O ATOM 0 H GLU A 102 -7.153 11.032 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.329 10.927 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.121 12.964 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.434 13.044 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.022 13.745 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.263 12.083 -2.022 1.00 0.00 H new ATOM 1461 N SER A 103 -10.023 9.882 -1.751 1.00 0.00 N ATOM 1462 CA SER A 103 -11.024 9.223 -2.579 1.00 0.00 C ATOM 1463 C SER A 103 -11.392 7.818 -2.062 1.00 0.00 C ATOM 1464 O SER A 103 -12.522 7.366 -2.273 1.00 0.00 O ATOM 1465 CB SER A 103 -10.531 9.191 -4.028 1.00 0.00 C ATOM 1466 OG SER A 103 -10.927 10.372 -4.716 1.00 0.00 O ATOM 0 H SER A 103 -9.097 9.922 -2.177 1.00 0.00 H new ATOM 0 HA SER A 103 -11.948 9.799 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.445 9.099 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.934 8.315 -4.536 1.00 0.00 H new ATOM 0 HG SER A 103 -10.949 11.124 -4.088 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.488 7.142 -1.330 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.714 5.789 -0.800 1.00 0.00 C ATOM 1473 C LEU A 104 -11.041 5.759 0.699 1.00 0.00 C ATOM 1474 O LEU A 104 -11.711 4.829 1.153 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.513 4.878 -1.132 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.423 4.397 -2.598 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.790 3.976 -3.162 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.781 5.410 -3.548 1.00 0.00 C ATOM 0 H LEU A 104 -9.574 7.524 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.604 5.405 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.596 5.413 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.554 4.003 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.767 3.528 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.672 3.647 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.194 3.159 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.474 4.824 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.755 4.997 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.365 6.330 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.765 5.625 -3.218 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.638 6.783 1.451 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.073 7.008 2.836 1.00 0.00 C ATOM 1491 C VAL A 105 -12.559 7.418 2.897 1.00 0.00 C ATOM 1492 O VAL A 105 -13.219 7.206 3.912 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.170 8.060 3.531 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.649 9.497 3.317 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.067 7.805 5.032 1.00 0.00 C ATOM 0 H VAL A 105 -9.989 7.493 1.112 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.972 6.067 3.377 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.192 7.949 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.975 10.185 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.658 9.723 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.656 9.609 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.427 8.561 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.060 7.855 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.640 6.817 5.205 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.066 8.001 1.801 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.446 8.460 1.616 1.00 0.00 C ATOM 1507 C GLY A 106 -14.644 9.974 1.726 1.00 0.00 C ATOM 1508 O GLY A 106 -15.733 10.462 1.429 1.00 0.00 O ATOM 0 H GLY A 106 -12.491 8.173 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.793 8.133 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.078 7.971 2.357 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.605 10.729 2.088 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.649 12.195 2.214 1.00 0.00 C ATOM 1514 C GLU A 107 -13.958 12.871 0.870 1.00 0.00 C ATOM 1515 O GLU A 107 -14.774 13.791 0.807 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.323 12.703 2.822 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.297 12.626 4.352 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.244 13.644 5.009 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.904 14.850 5.052 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.317 13.244 5.516 1.00 0.00 O ATOM 0 H GLU A 107 -12.690 10.335 2.307 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.464 12.464 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.497 12.116 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.160 13.736 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.575 11.620 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.280 12.800 4.704 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.378 12.365 -0.224 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.620 12.845 -1.592 1.00 0.00 C ATOM 1527 C GLY A 108 -15.000 12.478 -2.153 1.00 0.00 C ATOM 1528 O GLY A 108 -15.420 13.032 -3.165 1.00 0.00 O ATOM 0 H GLY A 108 -12.712 11.593 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.510 13.929 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.853 12.436 -2.249 1.00 0.00 H new