USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 550 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=-0.039) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 9 HIS : no HD1:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.65) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.21) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= -0.026 (180deg=-0.026) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 30:sc= 0.0134 USER MOD Single : A 112 HIS : no HD1:sc= -1.04 K(o=-1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.314 51.606 -6.769 1.00 0.00 N ATOM 2 CA MET A 1 -8.852 51.930 -6.748 1.00 0.00 C ATOM 3 C MET A 1 -8.124 51.241 -5.573 1.00 0.00 C ATOM 4 O MET A 1 -7.879 51.857 -4.535 1.00 0.00 O ATOM 5 CB MET A 1 -8.584 53.461 -6.833 1.00 0.00 C ATOM 6 CG MET A 1 -9.287 54.361 -5.798 1.00 0.00 C ATOM 7 SD MET A 1 -8.901 56.127 -5.977 1.00 0.00 S ATOM 8 CE MET A 1 -9.916 56.797 -4.631 1.00 0.00 C ATOM 0 H1 MET A 1 -10.765 52.088 -7.573 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.440 50.578 -6.867 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.753 51.926 -5.882 1.00 0.00 H new ATOM 0 HA MET A 1 -8.416 51.510 -7.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.509 53.621 -6.744 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.875 53.800 -7.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.365 54.224 -5.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.004 54.037 -4.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.801 57.880 -4.593 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.963 56.549 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.595 56.364 -3.683 1.00 0.00 H new ATOM 20 N ARG A 2 -7.791 49.943 -5.716 1.00 0.00 N ATOM 21 CA ARG A 2 -7.048 49.141 -4.706 1.00 0.00 C ATOM 22 C ARG A 2 -5.957 48.249 -5.317 1.00 0.00 C ATOM 23 O ARG A 2 -4.819 48.268 -4.846 1.00 0.00 O ATOM 24 CB ARG A 2 -8.022 48.287 -3.867 1.00 0.00 C ATOM 25 CG ARG A 2 -8.893 49.126 -2.919 1.00 0.00 C ATOM 26 CD ARG A 2 -9.757 48.229 -2.024 1.00 0.00 C ATOM 27 NE ARG A 2 -10.585 49.030 -1.100 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.457 48.573 -0.217 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.689 47.299 -0.065 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.121 49.398 0.541 1.00 0.00 N ATOM 0 H ARG A 2 -8.032 49.407 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.541 49.860 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.667 47.719 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.452 47.564 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.257 49.758 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.533 49.790 -3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.401 47.605 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.117 47.557 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.472 50.043 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.190 46.618 -0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.369 46.983 0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.970 50.403 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.792 49.039 1.220 1.00 0.00 H new ATOM 44 N GLY A 3 -6.291 47.490 -6.361 1.00 0.00 N ATOM 45 CA GLY A 3 -5.377 46.580 -7.065 1.00 0.00 C ATOM 46 C GLY A 3 -6.040 45.847 -8.243 1.00 0.00 C ATOM 47 O GLY A 3 -7.183 46.142 -8.603 1.00 0.00 O ATOM 0 H GLY A 3 -7.232 47.489 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.522 47.147 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.991 45.845 -6.359 1.00 0.00 H new ATOM 51 N SER A 4 -5.319 44.883 -8.825 1.00 0.00 N ATOM 52 CA SER A 4 -5.752 44.088 -9.991 1.00 0.00 C ATOM 53 C SER A 4 -5.603 42.578 -9.749 1.00 0.00 C ATOM 54 O SER A 4 -4.654 42.133 -9.096 1.00 0.00 O ATOM 55 CB SER A 4 -4.960 44.485 -11.246 1.00 0.00 C ATOM 56 OG SER A 4 -5.170 45.854 -11.573 1.00 0.00 O ATOM 0 H SER A 4 -4.391 44.623 -8.492 1.00 0.00 H new ATOM 0 HA SER A 4 -6.809 44.305 -10.143 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.898 44.306 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.262 43.857 -12.084 1.00 0.00 H new ATOM 0 HG SER A 4 -4.654 46.082 -12.374 1.00 0.00 H new ATOM 62 N HIS A 5 -6.528 41.789 -10.305 1.00 0.00 N ATOM 63 CA HIS A 5 -6.632 40.329 -10.129 1.00 0.00 C ATOM 64 C HIS A 5 -7.018 39.615 -11.439 1.00 0.00 C ATOM 65 O HIS A 5 -7.535 40.242 -12.368 1.00 0.00 O ATOM 66 CB HIS A 5 -7.664 40.019 -9.027 1.00 0.00 C ATOM 67 CG HIS A 5 -7.332 40.620 -7.679 1.00 0.00 C ATOM 68 ND1 HIS A 5 -7.905 41.777 -7.136 1.00 0.00 N ATOM 69 CD2 HIS A 5 -6.422 40.122 -6.793 1.00 0.00 C ATOM 70 CE1 HIS A 5 -7.320 41.949 -5.937 1.00 0.00 C ATOM 71 NE2 HIS A 5 -6.427 40.971 -5.706 1.00 0.00 N ATOM 0 H HIS A 5 -7.256 42.161 -10.915 1.00 0.00 H new ATOM 0 HA HIS A 5 -5.652 39.953 -9.835 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.640 40.386 -9.345 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.750 38.938 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.816 39.237 -6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.537 42.759 -5.256 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.851 40.873 -4.870 1.00 0.00 H new ATOM 79 N HIS A 6 -6.794 38.296 -11.495 1.00 0.00 N ATOM 80 CA HIS A 6 -7.119 37.431 -12.645 1.00 0.00 C ATOM 81 C HIS A 6 -8.048 36.272 -12.249 1.00 0.00 C ATOM 82 O HIS A 6 -8.035 35.809 -11.105 1.00 0.00 O ATOM 83 CB HIS A 6 -5.824 36.918 -13.293 1.00 0.00 C ATOM 84 CG HIS A 6 -4.969 38.019 -13.877 1.00 0.00 C ATOM 85 ND1 HIS A 6 -5.158 38.618 -15.128 1.00 0.00 N ATOM 86 CD2 HIS A 6 -3.900 38.605 -13.262 1.00 0.00 C ATOM 87 CE1 HIS A 6 -4.196 39.553 -15.236 1.00 0.00 C ATOM 88 NE2 HIS A 6 -3.429 39.566 -14.132 1.00 0.00 N ATOM 0 H HIS A 6 -6.370 37.783 -10.722 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.665 38.027 -13.376 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.244 36.374 -12.547 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.077 36.208 -14.080 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.502 38.364 -12.287 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.060 40.201 -16.089 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.633 40.182 -13.966 1.00 0.00 H new ATOM 96 N HIS A 7 -8.860 35.805 -13.205 1.00 0.00 N ATOM 97 CA HIS A 7 -9.986 34.878 -12.985 1.00 0.00 C ATOM 98 C HIS A 7 -10.051 33.713 -13.996 1.00 0.00 C ATOM 99 O HIS A 7 -11.097 33.082 -14.157 1.00 0.00 O ATOM 100 CB HIS A 7 -11.290 35.699 -12.964 1.00 0.00 C ATOM 101 CG HIS A 7 -11.624 36.353 -14.289 1.00 0.00 C ATOM 102 ND1 HIS A 7 -11.031 37.513 -14.802 1.00 0.00 N ATOM 103 CD2 HIS A 7 -12.544 35.898 -15.188 1.00 0.00 C ATOM 104 CE1 HIS A 7 -11.609 37.727 -15.997 1.00 0.00 C ATOM 105 NE2 HIS A 7 -12.521 36.773 -16.252 1.00 0.00 N ATOM 0 H HIS A 7 -8.752 36.068 -14.185 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.834 34.384 -12.025 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.114 35.047 -12.674 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.210 36.471 -12.199 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.168 35.023 -15.086 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.374 38.548 -16.658 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.098 36.708 -17.091 1.00 0.00 H new ATOM 113 N HIS A 8 -8.950 33.432 -14.705 1.00 0.00 N ATOM 114 CA HIS A 8 -8.902 32.413 -15.766 1.00 0.00 C ATOM 115 C HIS A 8 -8.668 30.994 -15.215 1.00 0.00 C ATOM 116 O HIS A 8 -7.638 30.714 -14.591 1.00 0.00 O ATOM 117 CB HIS A 8 -7.846 32.800 -16.810 1.00 0.00 C ATOM 118 CG HIS A 8 -7.863 31.895 -18.020 1.00 0.00 C ATOM 119 ND1 HIS A 8 -7.140 30.708 -18.163 1.00 0.00 N ATOM 120 CD2 HIS A 8 -8.614 32.092 -19.143 1.00 0.00 C ATOM 121 CE1 HIS A 8 -7.469 30.218 -19.371 1.00 0.00 C ATOM 122 NE2 HIS A 8 -8.350 31.031 -19.982 1.00 0.00 N ATOM 0 H HIS A 8 -8.060 33.908 -14.559 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.879 32.385 -16.248 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.016 33.829 -17.128 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.858 32.767 -16.351 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.283 32.917 -19.336 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.081 29.302 -19.791 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.753 30.887 -20.908 1.00 0.00 H new ATOM 130 N HIS A 9 -9.621 30.095 -15.479 1.00 0.00 N ATOM 131 CA HIS A 9 -9.550 28.645 -15.237 1.00 0.00 C ATOM 132 C HIS A 9 -10.564 27.892 -16.121 1.00 0.00 C ATOM 133 O HIS A 9 -11.508 28.490 -16.644 1.00 0.00 O ATOM 134 CB HIS A 9 -9.798 28.336 -13.742 1.00 0.00 C ATOM 135 CG HIS A 9 -11.156 28.750 -13.218 1.00 0.00 C ATOM 136 ND1 HIS A 9 -11.435 29.933 -12.527 1.00 0.00 N ATOM 137 CD2 HIS A 9 -12.312 28.029 -13.335 1.00 0.00 C ATOM 138 CE1 HIS A 9 -12.755 29.913 -12.272 1.00 0.00 C ATOM 139 NE2 HIS A 9 -13.304 28.778 -12.740 1.00 0.00 N ATOM 0 H HIS A 9 -10.513 30.371 -15.890 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.550 28.302 -15.501 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.676 27.265 -13.583 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.030 28.836 -13.151 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.425 27.062 -13.802 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.297 30.697 -11.764 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.287 28.516 -12.667 1.00 0.00 H new ATOM 147 N HIS A 10 -10.395 26.568 -16.247 1.00 0.00 N ATOM 148 CA HIS A 10 -11.380 25.660 -16.868 1.00 0.00 C ATOM 149 C HIS A 10 -11.906 24.636 -15.852 1.00 0.00 C ATOM 150 O HIS A 10 -13.071 24.708 -15.456 1.00 0.00 O ATOM 151 CB HIS A 10 -10.794 25.000 -18.127 1.00 0.00 C ATOM 152 CG HIS A 10 -10.564 25.969 -19.265 1.00 0.00 C ATOM 153 ND1 HIS A 10 -11.563 26.522 -20.075 1.00 0.00 N ATOM 154 CD2 HIS A 10 -9.349 26.414 -19.698 1.00 0.00 C ATOM 155 CE1 HIS A 10 -10.924 27.293 -20.972 1.00 0.00 C ATOM 156 NE2 HIS A 10 -9.595 27.242 -20.773 1.00 0.00 N ATOM 0 H HIS A 10 -9.559 26.087 -15.916 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.241 26.247 -17.189 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.848 24.522 -17.870 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.469 24.212 -18.462 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.384 26.166 -19.281 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.410 27.872 -21.744 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.890 27.732 -21.323 1.00 0.00 H new ATOM 164 N GLY A 11 -11.035 23.738 -15.373 1.00 0.00 N ATOM 165 CA GLY A 11 -11.334 22.780 -14.301 1.00 0.00 C ATOM 166 C GLY A 11 -12.374 21.702 -14.647 1.00 0.00 C ATOM 167 O GLY A 11 -12.775 21.536 -15.802 1.00 0.00 O ATOM 0 H GLY A 11 -10.082 23.656 -15.728 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.407 22.286 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.686 23.334 -13.431 1.00 0.00 H new ATOM 171 N SER A 12 -12.799 20.956 -13.619 1.00 0.00 N ATOM 172 CA SER A 12 -13.869 19.934 -13.658 1.00 0.00 C ATOM 173 C SER A 12 -13.678 18.803 -14.694 1.00 0.00 C ATOM 174 O SER A 12 -14.646 18.163 -15.110 1.00 0.00 O ATOM 175 CB SER A 12 -15.254 20.598 -13.764 1.00 0.00 C ATOM 176 OG SER A 12 -15.455 21.536 -12.710 1.00 0.00 O ATOM 0 H SER A 12 -12.390 21.048 -12.689 1.00 0.00 H new ATOM 0 HA SER A 12 -13.798 19.412 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.347 21.102 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.031 19.834 -13.728 1.00 0.00 H new ATOM 0 HG SER A 12 -16.341 21.945 -12.801 1.00 0.00 H new ATOM 182 N GLY A 58 -12.435 18.535 -15.116 1.00 0.00 N ATOM 183 CA GLY A 58 -12.104 17.572 -16.179 1.00 0.00 C ATOM 184 C GLY A 58 -11.938 16.110 -15.731 1.00 0.00 C ATOM 185 O GLY A 58 -11.653 15.253 -16.571 1.00 0.00 O ATOM 0 H GLY A 58 -11.613 18.991 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.886 17.613 -16.937 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.179 17.892 -16.658 1.00 0.00 H new ATOM 189 N ALA A 59 -12.079 15.816 -14.433 1.00 0.00 N ATOM 190 CA ALA A 59 -11.795 14.510 -13.831 1.00 0.00 C ATOM 191 C ALA A 59 -12.717 14.162 -12.636 1.00 0.00 C ATOM 192 O ALA A 59 -13.464 15.008 -12.137 1.00 0.00 O ATOM 193 CB ALA A 59 -10.308 14.499 -13.439 1.00 0.00 C ATOM 0 H ALA A 59 -12.404 16.503 -13.752 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.006 13.729 -14.561 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.058 13.540 -12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.696 14.651 -14.328 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.114 15.299 -12.724 1.00 0.00 H new ATOM 199 N LEU A 60 -12.650 12.905 -12.179 1.00 0.00 N ATOM 200 CA LEU A 60 -13.484 12.304 -11.119 1.00 0.00 C ATOM 201 C LEU A 60 -12.688 11.441 -10.114 1.00 0.00 C ATOM 202 O LEU A 60 -11.646 10.877 -10.451 1.00 0.00 O ATOM 203 CB LEU A 60 -14.580 11.465 -11.791 1.00 0.00 C ATOM 204 CG LEU A 60 -13.997 10.254 -12.555 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.226 8.937 -11.811 1.00 0.00 C ATOM 206 CD2 LEU A 60 -14.666 10.151 -13.921 1.00 0.00 C ATOM 0 H LEU A 60 -11.976 12.239 -12.557 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.910 13.117 -10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.282 11.113 -11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.144 12.092 -12.482 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.923 10.415 -12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.799 8.115 -12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.746 8.983 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.296 8.773 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.257 9.298 -14.463 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.740 10.018 -13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.480 11.064 -14.487 1.00 0.00 H new ATOM 218 N ALA A 61 -13.208 11.290 -8.894 1.00 0.00 N ATOM 219 CA ALA A 61 -12.606 10.464 -7.840 1.00 0.00 C ATOM 220 C ALA A 61 -13.646 9.868 -6.875 1.00 0.00 C ATOM 221 O ALA A 61 -14.688 10.476 -6.621 1.00 0.00 O ATOM 222 CB ALA A 61 -11.598 11.312 -7.058 1.00 0.00 C ATOM 0 H ALA A 61 -14.074 11.745 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.112 9.622 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.145 10.707 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.821 11.669 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.109 12.164 -6.610 1.00 0.00 H new ATOM 228 N ALA A 62 -13.323 8.709 -6.293 1.00 0.00 N ATOM 229 CA ALA A 62 -14.105 8.028 -5.260 1.00 0.00 C ATOM 230 C ALA A 62 -13.365 7.849 -3.921 1.00 0.00 C ATOM 231 O ALA A 62 -12.135 7.832 -3.863 1.00 0.00 O ATOM 232 CB ALA A 62 -14.612 6.690 -5.819 1.00 0.00 C ATOM 0 H ALA A 62 -12.474 8.200 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.949 8.672 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.196 6.175 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.238 6.874 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.762 6.070 -6.106 1.00 0.00 H new ATOM 238 N LEU A 63 -14.140 7.705 -2.839 1.00 0.00 N ATOM 239 CA LEU A 63 -13.662 7.572 -1.458 1.00 0.00 C ATOM 240 C LEU A 63 -14.279 6.357 -0.748 1.00 0.00 C ATOM 241 O LEU A 63 -15.434 5.997 -0.993 1.00 0.00 O ATOM 242 CB LEU A 63 -14.003 8.850 -0.659 1.00 0.00 C ATOM 243 CG LEU A 63 -13.351 10.154 -1.149 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.862 11.327 -0.314 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.832 10.113 -1.015 1.00 0.00 C ATOM 0 H LEU A 63 -15.157 7.677 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.582 7.427 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.085 8.983 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.713 8.692 0.380 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.613 10.272 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.399 12.250 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.945 11.402 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.607 11.166 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.410 11.052 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.563 9.968 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.436 9.289 -1.609 1.00 0.00 H new ATOM 257 N HIS A 64 -13.534 5.774 0.192 1.00 0.00 N ATOM 258 CA HIS A 64 -14.064 4.854 1.205 1.00 0.00 C ATOM 259 C HIS A 64 -14.940 5.624 2.207 1.00 0.00 C ATOM 260 O HIS A 64 -14.520 6.662 2.723 1.00 0.00 O ATOM 261 CB HIS A 64 -12.899 4.181 1.940 1.00 0.00 C ATOM 262 CG HIS A 64 -12.121 3.183 1.121 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.569 1.909 0.766 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.840 3.346 0.674 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.543 1.332 0.116 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.493 2.168 0.049 1.00 0.00 N ATOM 0 H HIS A 64 -12.529 5.929 0.274 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.673 4.093 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.215 4.954 2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.289 3.677 2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.222 4.224 0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.560 0.334 -0.296 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.594 1.966 -0.389 1.00 0.00 H new ATOM 274 N ALA A 65 -16.139 5.117 2.512 1.00 0.00 N ATOM 275 CA ALA A 65 -17.108 5.804 3.377 1.00 0.00 C ATOM 276 C ALA A 65 -17.054 5.372 4.860 1.00 0.00 C ATOM 277 O ALA A 65 -17.465 6.135 5.735 1.00 0.00 O ATOM 278 CB ALA A 65 -18.503 5.582 2.779 1.00 0.00 C ATOM 0 H ALA A 65 -16.467 4.216 2.165 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.853 6.863 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.248 6.081 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.536 5.994 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.717 4.514 2.742 1.00 0.00 H new ATOM 284 N GLU A 66 -16.564 4.159 5.148 1.00 0.00 N ATOM 285 CA GLU A 66 -16.606 3.522 6.477 1.00 0.00 C ATOM 286 C GLU A 66 -15.314 2.743 6.800 1.00 0.00 C ATOM 287 O GLU A 66 -14.518 2.425 5.910 1.00 0.00 O ATOM 288 CB GLU A 66 -17.819 2.572 6.567 1.00 0.00 C ATOM 289 CG GLU A 66 -19.173 3.290 6.477 1.00 0.00 C ATOM 290 CD GLU A 66 -20.332 2.305 6.717 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.831 1.691 5.742 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.765 2.138 7.887 1.00 0.00 O ATOM 0 H GLU A 66 -16.114 3.574 4.444 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.699 4.321 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.754 1.837 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.771 2.023 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.214 4.093 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.280 3.752 5.496 1.00 0.00 H new ATOM 299 N GLY A 67 -15.111 2.415 8.084 1.00 0.00 N ATOM 300 CA GLY A 67 -13.969 1.620 8.561 1.00 0.00 C ATOM 301 C GLY A 67 -12.633 2.386 8.609 1.00 0.00 C ATOM 302 O GLY A 67 -12.619 3.616 8.498 1.00 0.00 O ATOM 0 H GLY A 67 -15.744 2.698 8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.195 1.246 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.852 0.751 7.914 1.00 0.00 H new ATOM 306 N PRO A 68 -11.488 1.681 8.758 1.00 0.00 N ATOM 307 CA PRO A 68 -10.159 2.293 8.928 1.00 0.00 C ATOM 308 C PRO A 68 -9.755 3.267 7.811 1.00 0.00 C ATOM 309 O PRO A 68 -8.987 4.202 8.046 1.00 0.00 O ATOM 310 CB PRO A 68 -9.166 1.122 8.971 1.00 0.00 C ATOM 311 CG PRO A 68 -9.938 -0.079 8.430 1.00 0.00 C ATOM 312 CD PRO A 68 -11.376 0.230 8.819 1.00 0.00 C ATOM 0 HA PRO A 68 -10.167 2.898 9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.285 1.330 8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.816 0.940 9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.825 -0.178 7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.592 -1.013 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.079 -0.248 8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.601 -0.140 9.819 1.00 0.00 H new ATOM 320 N LEU A 69 -10.271 3.045 6.598 1.00 0.00 N ATOM 321 CA LEU A 69 -9.957 3.821 5.398 1.00 0.00 C ATOM 322 C LEU A 69 -10.963 4.957 5.120 1.00 0.00 C ATOM 323 O LEU A 69 -10.831 5.650 4.111 1.00 0.00 O ATOM 324 CB LEU A 69 -9.825 2.842 4.219 1.00 0.00 C ATOM 325 CG LEU A 69 -8.738 1.754 4.361 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.731 0.878 3.112 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.346 2.343 4.581 1.00 0.00 C ATOM 0 H LEU A 69 -10.940 2.296 6.421 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.012 4.342 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.786 2.350 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.620 3.417 3.316 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.982 1.161 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.964 0.110 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.706 0.405 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.518 1.493 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.620 1.535 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.080 2.974 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.344 2.940 5.493 1.00 0.00 H new ATOM 339 N ALA A 70 -11.961 5.172 5.986 1.00 0.00 N ATOM 340 CA ALA A 70 -12.970 6.222 5.810 1.00 0.00 C ATOM 341 C ALA A 70 -12.337 7.600 5.504 1.00 0.00 C ATOM 342 O ALA A 70 -11.468 8.081 6.241 1.00 0.00 O ATOM 343 CB ALA A 70 -13.857 6.292 7.056 1.00 0.00 C ATOM 0 H ALA A 70 -12.091 4.619 6.833 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.579 5.962 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.607 7.072 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.353 5.333 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.243 6.521 7.927 1.00 0.00 H new ATOM 349 N GLY A 71 -12.781 8.230 4.412 1.00 0.00 N ATOM 350 CA GLY A 71 -12.262 9.513 3.920 1.00 0.00 C ATOM 351 C GLY A 71 -11.126 9.428 2.898 1.00 0.00 C ATOM 352 O GLY A 71 -10.688 10.473 2.414 1.00 0.00 O ATOM 0 H GLY A 71 -13.530 7.854 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.086 10.068 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.913 10.093 4.774 1.00 0.00 H new ATOM 356 N LEU A 72 -10.634 8.227 2.571 1.00 0.00 N ATOM 357 CA LEU A 72 -9.453 8.027 1.721 1.00 0.00 C ATOM 358 C LEU A 72 -9.817 7.490 0.311 1.00 0.00 C ATOM 359 O LEU A 72 -10.861 6.850 0.167 1.00 0.00 O ATOM 360 CB LEU A 72 -8.486 7.093 2.474 1.00 0.00 C ATOM 361 CG LEU A 72 -8.099 7.495 3.912 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.031 6.524 4.421 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.550 8.919 4.015 1.00 0.00 C ATOM 0 H LEU A 72 -11.051 7.354 2.894 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.970 8.986 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.933 6.100 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.571 7.010 1.888 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.008 7.455 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.747 6.796 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.429 5.509 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.155 6.574 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.298 9.137 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.657 9.010 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.304 9.626 3.669 1.00 0.00 H new ATOM 375 N PRO A 73 -8.984 7.715 -0.734 1.00 0.00 N ATOM 376 CA PRO A 73 -9.202 7.197 -2.099 1.00 0.00 C ATOM 377 C PRO A 73 -9.372 5.679 -2.140 1.00 0.00 C ATOM 378 O PRO A 73 -8.688 4.951 -1.422 1.00 0.00 O ATOM 379 CB PRO A 73 -7.970 7.622 -2.911 1.00 0.00 C ATOM 380 CG PRO A 73 -6.897 7.856 -1.851 1.00 0.00 C ATOM 381 CD PRO A 73 -7.701 8.405 -0.680 1.00 0.00 C ATOM 0 HA PRO A 73 -10.129 7.601 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.671 6.849 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.164 8.525 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.378 6.934 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.140 8.563 -2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.194 8.218 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.831 9.484 -0.764 1.00 0.00 H new ATOM 389 N VAL A 74 -10.236 5.189 -3.029 1.00 0.00 N ATOM 390 CA VAL A 74 -10.376 3.746 -3.279 1.00 0.00 C ATOM 391 C VAL A 74 -9.260 3.241 -4.205 1.00 0.00 C ATOM 392 O VAL A 74 -8.780 2.121 -4.028 1.00 0.00 O ATOM 393 CB VAL A 74 -11.786 3.394 -3.799 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.988 1.882 -3.931 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.872 3.902 -2.840 1.00 0.00 C ATOM 0 H VAL A 74 -10.855 5.771 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.263 3.223 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.869 3.872 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.994 1.680 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.257 1.477 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.858 1.411 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.855 3.640 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.737 3.442 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.796 4.985 -2.745 1.00 0.00 H new ATOM 405 N THR A 75 -8.794 4.076 -5.146 1.00 0.00 N ATOM 406 CA THR A 75 -7.774 3.727 -6.155 1.00 0.00 C ATOM 407 C THR A 75 -6.681 4.793 -6.286 1.00 0.00 C ATOM 408 O THR A 75 -6.857 5.941 -5.870 1.00 0.00 O ATOM 409 CB THR A 75 -8.416 3.465 -7.536 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.590 4.679 -8.239 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.775 2.771 -7.461 1.00 0.00 C ATOM 0 H THR A 75 -9.122 5.038 -5.231 1.00 0.00 H new ATOM 0 HA THR A 75 -7.302 2.811 -5.800 1.00 0.00 H new ATOM 0 HB THR A 75 -7.724 2.800 -8.052 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.996 4.496 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.163 2.621 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.664 1.806 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.469 3.391 -6.894 1.00 0.00 H new ATOM 419 N ARG A 76 -5.544 4.454 -6.916 1.00 0.00 N ATOM 420 CA ARG A 76 -4.487 5.449 -7.208 1.00 0.00 C ATOM 421 C ARG A 76 -4.936 6.517 -8.212 1.00 0.00 C ATOM 422 O ARG A 76 -4.464 7.645 -8.143 1.00 0.00 O ATOM 423 CB ARG A 76 -3.160 4.758 -7.591 1.00 0.00 C ATOM 424 CG ARG A 76 -3.141 4.116 -8.990 1.00 0.00 C ATOM 425 CD ARG A 76 -1.769 3.504 -9.301 1.00 0.00 C ATOM 426 NE ARG A 76 -1.533 2.244 -8.567 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.389 1.582 -8.509 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.726 2.074 -8.965 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.344 0.392 -7.982 1.00 0.00 N ATOM 0 H ARG A 76 -5.330 3.508 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.295 6.000 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.356 5.492 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.942 3.988 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.908 3.344 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.386 4.867 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.692 3.317 -10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.989 4.221 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.324 1.848 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.739 3.003 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.587 1.531 -8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.193 -0.034 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.541 -0.114 -7.940 1.00 0.00 H new ATOM 443 N SER A 77 -5.906 6.199 -9.076 1.00 0.00 N ATOM 444 CA SER A 77 -6.559 7.180 -9.955 1.00 0.00 C ATOM 445 C SER A 77 -7.412 8.166 -9.145 1.00 0.00 C ATOM 446 O SER A 77 -7.266 9.377 -9.322 1.00 0.00 O ATOM 447 CB SER A 77 -7.398 6.462 -11.019 1.00 0.00 C ATOM 448 OG SER A 77 -7.855 7.389 -11.992 1.00 0.00 O ATOM 0 H SER A 77 -6.263 5.250 -9.187 1.00 0.00 H new ATOM 0 HA SER A 77 -5.786 7.758 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.803 5.685 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.249 5.968 -10.549 1.00 0.00 H new ATOM 0 HG SER A 77 -8.388 6.919 -12.667 1.00 0.00 H new ATOM 454 N ASP A 78 -8.195 7.687 -8.165 1.00 0.00 N ATOM 455 CA ASP A 78 -8.908 8.582 -7.239 1.00 0.00 C ATOM 456 C ASP A 78 -7.921 9.473 -6.483 1.00 0.00 C ATOM 457 O ASP A 78 -8.135 10.673 -6.387 1.00 0.00 O ATOM 458 CB ASP A 78 -9.747 7.828 -6.200 1.00 0.00 C ATOM 459 CG ASP A 78 -10.755 6.837 -6.777 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.422 7.166 -7.786 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.945 5.783 -6.132 1.00 0.00 O ATOM 0 H ASP A 78 -8.350 6.693 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.577 9.176 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.073 7.290 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.284 8.556 -5.592 1.00 0.00 H new ATOM 466 N ALA A 79 -6.810 8.913 -5.993 1.00 0.00 N ATOM 467 CA ALA A 79 -5.785 9.658 -5.264 1.00 0.00 C ATOM 468 C ALA A 79 -5.129 10.761 -6.122 1.00 0.00 C ATOM 469 O ALA A 79 -5.058 11.912 -5.694 1.00 0.00 O ATOM 470 CB ALA A 79 -4.761 8.646 -4.739 1.00 0.00 C ATOM 0 H ALA A 79 -6.598 7.920 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.244 10.191 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.980 9.171 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.257 7.936 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.316 8.110 -5.577 1.00 0.00 H new ATOM 476 N ARG A 80 -4.718 10.443 -7.359 1.00 0.00 N ATOM 477 CA ARG A 80 -4.184 11.421 -8.334 1.00 0.00 C ATOM 478 C ARG A 80 -5.188 12.533 -8.634 1.00 0.00 C ATOM 479 O ARG A 80 -4.821 13.706 -8.608 1.00 0.00 O ATOM 480 CB ARG A 80 -3.764 10.687 -9.624 1.00 0.00 C ATOM 481 CG ARG A 80 -2.431 9.945 -9.430 1.00 0.00 C ATOM 482 CD ARG A 80 -2.068 9.004 -10.585 1.00 0.00 C ATOM 483 NE ARG A 80 -2.012 9.686 -11.896 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.965 10.258 -12.468 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.153 10.485 -11.838 1.00 0.00 N ATOM 486 NH2 ARG A 80 -1.024 10.626 -13.716 1.00 0.00 N ATOM 0 H ARG A 80 -4.745 9.489 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.309 11.901 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.540 9.978 -9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.669 11.404 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.633 10.678 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.479 9.368 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.101 8.544 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.801 8.198 -10.633 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.885 9.719 -12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.250 10.218 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.932 10.929 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.878 10.473 -14.253 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.217 11.067 -14.156 1.00 0.00 H new ATOM 500 N VAL A 81 -6.460 12.191 -8.833 1.00 0.00 N ATOM 501 CA VAL A 81 -7.517 13.178 -9.109 1.00 0.00 C ATOM 502 C VAL A 81 -7.914 13.979 -7.861 1.00 0.00 C ATOM 503 O VAL A 81 -8.197 15.166 -7.990 1.00 0.00 O ATOM 504 CB VAL A 81 -8.725 12.521 -9.802 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.855 13.536 -10.021 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.338 11.979 -11.186 1.00 0.00 C ATOM 0 H VAL A 81 -6.792 11.227 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.105 13.907 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.055 11.713 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.695 13.045 -10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.179 13.933 -9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.495 14.352 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.209 11.520 -11.654 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.980 12.798 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.550 11.234 -11.078 1.00 0.00 H new ATOM 516 N LEU A 82 -7.859 13.421 -6.646 1.00 0.00 N ATOM 517 CA LEU A 82 -8.052 14.189 -5.408 1.00 0.00 C ATOM 518 C LEU A 82 -6.923 15.211 -5.198 1.00 0.00 C ATOM 519 O LEU A 82 -7.208 16.367 -4.889 1.00 0.00 O ATOM 520 CB LEU A 82 -8.163 13.228 -4.210 1.00 0.00 C ATOM 521 CG LEU A 82 -9.508 12.477 -4.157 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.368 11.247 -3.267 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.646 13.341 -3.617 1.00 0.00 C ATOM 0 H LEU A 82 -7.680 12.429 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.981 14.753 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.351 12.503 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.033 13.792 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.757 12.198 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.319 10.715 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.600 10.589 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.085 11.556 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.568 12.760 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.406 13.667 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.776 14.213 -4.258 1.00 0.00 H new ATOM 535 N ILE A 83 -5.661 14.831 -5.446 1.00 0.00 N ATOM 536 CA ILE A 83 -4.527 15.775 -5.416 1.00 0.00 C ATOM 537 C ILE A 83 -4.691 16.849 -6.505 1.00 0.00 C ATOM 538 O ILE A 83 -4.475 18.030 -6.234 1.00 0.00 O ATOM 539 CB ILE A 83 -3.172 15.039 -5.539 1.00 0.00 C ATOM 540 CG1 ILE A 83 -2.937 14.067 -4.354 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.029 16.077 -5.596 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.879 12.995 -4.638 1.00 0.00 C ATOM 0 H ILE A 83 -5.396 13.872 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.528 16.275 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.189 14.448 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.634 14.642 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.879 13.578 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.073 15.561 -5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.170 16.727 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.036 16.677 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.769 12.352 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.190 12.395 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.925 13.474 -4.858 1.00 0.00 H new ATOM 554 N PHE A 84 -5.123 16.471 -7.715 1.00 0.00 N ATOM 555 CA PHE A 84 -5.426 17.429 -8.785 1.00 0.00 C ATOM 556 C PHE A 84 -6.533 18.415 -8.388 1.00 0.00 C ATOM 557 O PHE A 84 -6.345 19.618 -8.518 1.00 0.00 O ATOM 558 CB PHE A 84 -5.825 16.683 -10.066 1.00 0.00 C ATOM 559 CG PHE A 84 -6.290 17.563 -11.219 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.675 18.804 -11.482 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.362 17.140 -12.030 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.105 19.599 -12.556 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.799 17.939 -13.101 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.167 19.166 -13.370 1.00 0.00 C ATOM 0 H PHE A 84 -5.272 15.497 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.521 18.009 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.972 16.093 -10.403 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.622 15.981 -9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.867 19.146 -10.852 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.850 16.198 -11.828 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.620 20.543 -12.757 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.622 17.610 -13.718 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.496 19.774 -14.199 1.00 0.00 H new ATOM 574 N ASN A 85 -7.670 17.934 -7.880 1.00 0.00 N ATOM 575 CA ASN A 85 -8.796 18.793 -7.512 1.00 0.00 C ATOM 576 C ASN A 85 -8.457 19.708 -6.315 1.00 0.00 C ATOM 577 O ASN A 85 -8.844 20.879 -6.309 1.00 0.00 O ATOM 578 CB ASN A 85 -10.016 17.903 -7.233 1.00 0.00 C ATOM 579 CG ASN A 85 -11.237 18.726 -6.854 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.614 18.818 -5.695 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.886 19.355 -7.809 1.00 0.00 N ATOM 0 H ASN A 85 -7.835 16.941 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.024 19.466 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.240 17.305 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.782 17.207 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.704 19.920 -7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.571 19.278 -8.776 1.00 0.00 H new ATOM 588 N GLU A 86 -7.682 19.206 -5.344 1.00 0.00 N ATOM 589 CA GLU A 86 -7.111 20.034 -4.278 1.00 0.00 C ATOM 590 C GLU A 86 -6.216 21.132 -4.865 1.00 0.00 C ATOM 591 O GLU A 86 -6.471 22.304 -4.599 1.00 0.00 O ATOM 592 CB GLU A 86 -6.355 19.175 -3.247 1.00 0.00 C ATOM 593 CG GLU A 86 -5.751 20.060 -2.143 1.00 0.00 C ATOM 594 CD GLU A 86 -5.096 19.279 -0.992 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.607 18.142 -1.191 1.00 0.00 O ATOM 596 OE2 GLU A 86 -5.011 19.857 0.122 1.00 0.00 O ATOM 0 H GLU A 86 -7.435 18.219 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.931 20.521 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.034 18.446 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.564 18.613 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.006 20.719 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.536 20.696 -1.734 1.00 0.00 H new ATOM 603 N TRP A 87 -5.220 20.790 -5.699 1.00 0.00 N ATOM 604 CA TRP A 87 -4.409 21.785 -6.400 1.00 0.00 C ATOM 605 C TRP A 87 -5.275 22.799 -7.154 1.00 0.00 C ATOM 606 O TRP A 87 -5.010 23.990 -7.064 1.00 0.00 O ATOM 607 CB TRP A 87 -3.441 21.110 -7.378 1.00 0.00 C ATOM 608 CG TRP A 87 -2.746 22.082 -8.285 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.619 22.756 -7.972 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.169 22.595 -9.594 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.294 23.622 -8.996 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.211 23.562 -10.022 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.281 22.382 -10.445 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.323 24.252 -11.237 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.415 23.084 -11.659 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.435 24.012 -12.060 1.00 0.00 C ATOM 0 H TRP A 87 -4.960 19.825 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.839 22.320 -5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.694 20.552 -6.813 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.990 20.387 -7.982 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.057 22.636 -7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.476 24.231 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.040 21.669 -10.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.564 24.959 -11.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.276 22.909 -12.287 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.538 24.538 -12.998 1.00 0.00 H new ATOM 627 N GLU A 88 -6.318 22.353 -7.852 1.00 0.00 N ATOM 628 CA GLU A 88 -7.174 23.207 -8.669 1.00 0.00 C ATOM 629 C GLU A 88 -7.891 24.268 -7.819 1.00 0.00 C ATOM 630 O GLU A 88 -7.817 25.459 -8.129 1.00 0.00 O ATOM 631 CB GLU A 88 -8.180 22.328 -9.432 1.00 0.00 C ATOM 632 CG GLU A 88 -8.731 23.030 -10.673 1.00 0.00 C ATOM 633 CD GLU A 88 -10.176 22.573 -10.959 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.385 21.403 -11.359 1.00 0.00 O ATOM 635 OE2 GLU A 88 -11.116 23.389 -10.786 1.00 0.00 O ATOM 0 H GLU A 88 -6.595 21.372 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.555 23.748 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.696 21.397 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.004 22.063 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.708 24.110 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.098 22.811 -11.533 1.00 0.00 H new ATOM 642 N GLU A 89 -8.515 23.873 -6.705 1.00 0.00 N ATOM 643 CA GLU A 89 -9.177 24.812 -5.789 1.00 0.00 C ATOM 644 C GLU A 89 -8.176 25.739 -5.078 1.00 0.00 C ATOM 645 O GLU A 89 -8.380 26.960 -5.040 1.00 0.00 O ATOM 646 CB GLU A 89 -10.025 24.037 -4.767 1.00 0.00 C ATOM 647 CG GLU A 89 -11.300 23.430 -5.374 1.00 0.00 C ATOM 648 CD GLU A 89 -12.362 24.512 -5.662 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.312 25.154 -6.739 1.00 0.00 O ATOM 650 OE2 GLU A 89 -13.253 24.735 -4.806 1.00 0.00 O ATOM 0 H GLU A 89 -8.576 22.898 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.828 25.452 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.421 23.239 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.301 24.706 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.051 22.908 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.712 22.688 -4.690 1.00 0.00 H new ATOM 657 N ARG A 90 -7.058 25.190 -4.578 1.00 0.00 N ATOM 658 CA ARG A 90 -5.977 25.975 -3.956 1.00 0.00 C ATOM 659 C ARG A 90 -5.449 27.021 -4.935 1.00 0.00 C ATOM 660 O ARG A 90 -5.402 28.193 -4.591 1.00 0.00 O ATOM 661 CB ARG A 90 -4.810 25.071 -3.544 1.00 0.00 C ATOM 662 CG ARG A 90 -5.126 23.996 -2.501 1.00 0.00 C ATOM 663 CD ARG A 90 -4.865 24.409 -1.048 1.00 0.00 C ATOM 664 NE ARG A 90 -4.991 23.236 -0.158 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.132 23.223 1.155 1.00 0.00 C ATOM 666 NH1 ARG A 90 -5.193 24.315 1.863 1.00 0.00 N ATOM 667 NH2 ARG A 90 -5.212 22.084 1.776 1.00 0.00 N ATOM 0 H ARG A 90 -6.876 24.186 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.392 26.461 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.425 24.579 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.009 25.700 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.174 23.712 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.533 23.109 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.868 24.839 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.574 25.181 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.966 22.324 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.131 25.224 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.302 24.261 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.166 21.212 1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.321 22.062 2.790 1.00 0.00 H new ATOM 681 N LYS A 91 -5.123 26.609 -6.163 1.00 0.00 N ATOM 682 CA LYS A 91 -4.642 27.469 -7.266 1.00 0.00 C ATOM 683 C LYS A 91 -5.652 28.559 -7.637 1.00 0.00 C ATOM 684 O LYS A 91 -5.253 29.706 -7.837 1.00 0.00 O ATOM 685 CB LYS A 91 -4.230 26.598 -8.472 1.00 0.00 C ATOM 686 CG LYS A 91 -3.559 27.373 -9.622 1.00 0.00 C ATOM 687 CD LYS A 91 -4.533 27.823 -10.725 1.00 0.00 C ATOM 688 CE LYS A 91 -3.760 28.560 -11.831 1.00 0.00 C ATOM 689 NZ LYS A 91 -4.654 29.004 -12.940 1.00 0.00 N ATOM 0 H LYS A 91 -5.187 25.628 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.757 28.004 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.547 25.822 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.116 26.094 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.060 28.251 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.787 26.746 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.049 26.958 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.297 28.477 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.255 29.426 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.986 27.905 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.092 29.496 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.117 28.176 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.377 29.650 -12.565 1.00 0.00 H new ATOM 703 N LYS A 92 -6.951 28.243 -7.683 1.00 0.00 N ATOM 704 CA LYS A 92 -8.025 29.230 -7.918 1.00 0.00 C ATOM 705 C LYS A 92 -8.123 30.275 -6.791 1.00 0.00 C ATOM 706 O LYS A 92 -8.408 31.439 -7.083 1.00 0.00 O ATOM 707 CB LYS A 92 -9.363 28.503 -8.151 1.00 0.00 C ATOM 708 CG LYS A 92 -9.424 27.877 -9.559 1.00 0.00 C ATOM 709 CD LYS A 92 -10.512 26.806 -9.750 1.00 0.00 C ATOM 710 CE LYS A 92 -11.962 27.316 -9.730 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.548 27.378 -8.360 1.00 0.00 N ATOM 0 H LYS A 92 -7.295 27.291 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.775 29.792 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.492 27.725 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.187 29.205 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.587 28.672 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.455 27.432 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.337 26.302 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.399 26.057 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.996 28.309 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.577 26.665 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.569 27.564 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.393 26.471 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.092 28.142 -7.821 1.00 0.00 H new ATOM 725 N SER A 93 -7.831 29.906 -5.539 1.00 0.00 N ATOM 726 CA SER A 93 -7.736 30.864 -4.414 1.00 0.00 C ATOM 727 C SER A 93 -6.381 31.600 -4.308 1.00 0.00 C ATOM 728 O SER A 93 -6.346 32.774 -3.934 1.00 0.00 O ATOM 729 CB SER A 93 -8.019 30.152 -3.087 1.00 0.00 C ATOM 730 OG SER A 93 -9.359 29.672 -3.059 1.00 0.00 O ATOM 0 H SER A 93 -7.653 28.938 -5.270 1.00 0.00 H new ATOM 0 HA SER A 93 -8.488 31.625 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.325 29.321 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.854 30.838 -2.256 1.00 0.00 H new ATOM 0 HG SER A 93 -9.526 29.218 -2.207 1.00 0.00 H new ATOM 736 N ASP A 94 -5.272 30.930 -4.634 1.00 0.00 N ATOM 737 CA ASP A 94 -3.880 31.331 -4.403 1.00 0.00 C ATOM 738 C ASP A 94 -2.967 30.714 -5.500 1.00 0.00 C ATOM 739 O ASP A 94 -2.648 29.522 -5.444 1.00 0.00 O ATOM 740 CB ASP A 94 -3.427 30.855 -3.010 1.00 0.00 C ATOM 741 CG ASP A 94 -4.057 31.679 -1.872 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.603 32.826 -1.642 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.971 31.171 -1.179 1.00 0.00 O ATOM 0 H ASP A 94 -5.327 30.025 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.805 32.417 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.692 29.805 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.341 30.920 -2.943 1.00 0.00 H new ATOM 748 N PRO A 95 -2.528 31.487 -6.511 1.00 0.00 N ATOM 749 CA PRO A 95 -2.061 30.968 -7.810 1.00 0.00 C ATOM 750 C PRO A 95 -0.681 30.281 -7.828 1.00 0.00 C ATOM 751 O PRO A 95 -0.337 29.639 -8.822 1.00 0.00 O ATOM 752 CB PRO A 95 -2.081 32.188 -8.742 1.00 0.00 C ATOM 753 CG PRO A 95 -1.859 33.354 -7.781 1.00 0.00 C ATOM 754 CD PRO A 95 -2.696 32.927 -6.584 1.00 0.00 C ATOM 0 HA PRO A 95 -2.718 30.153 -8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.297 32.132 -9.498 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.029 32.276 -9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.807 33.478 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.197 34.301 -8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.355 33.412 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.744 33.197 -6.717 1.00 0.00 H new ATOM 762 N TRP A 96 0.119 30.415 -6.767 1.00 0.00 N ATOM 763 CA TRP A 96 1.516 29.948 -6.709 1.00 0.00 C ATOM 764 C TRP A 96 1.705 28.417 -6.766 1.00 0.00 C ATOM 765 O TRP A 96 2.789 27.953 -7.130 1.00 0.00 O ATOM 766 CB TRP A 96 2.149 30.460 -5.406 1.00 0.00 C ATOM 767 CG TRP A 96 1.679 29.753 -4.167 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.455 29.876 -3.612 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.371 28.738 -3.372 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.343 29.036 -2.521 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.494 28.302 -2.331 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.641 28.124 -3.438 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.861 27.318 -1.400 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.020 27.134 -2.510 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.136 26.732 -1.492 1.00 0.00 C ATOM 0 H TRP A 96 -0.189 30.860 -5.903 1.00 0.00 H new ATOM 0 HA TRP A 96 1.995 30.344 -7.604 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.232 30.359 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.934 31.524 -5.306 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.323 30.535 -3.969 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.486 28.968 -1.931 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.333 28.418 -4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.174 27.015 -0.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.997 26.680 -2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.436 25.975 -0.783 1.00 0.00 H new ATOM 786 N LEU A 97 0.699 27.632 -6.350 1.00 0.00 N ATOM 787 CA LEU A 97 0.886 26.225 -5.987 1.00 0.00 C ATOM 788 C LEU A 97 1.252 25.324 -7.190 1.00 0.00 C ATOM 789 O LEU A 97 0.733 25.505 -8.295 1.00 0.00 O ATOM 790 CB LEU A 97 -0.384 25.737 -5.260 1.00 0.00 C ATOM 791 CG LEU A 97 -0.249 24.360 -4.583 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.742 24.361 -3.420 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.608 23.938 -4.046 1.00 0.00 C ATOM 0 H LEU A 97 -0.263 27.957 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 97 1.745 26.151 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.659 26.473 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.204 25.695 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 97 0.124 23.669 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.793 23.363 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.729 24.649 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.412 25.071 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.522 22.964 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.956 24.672 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.321 23.875 -4.868 1.00 0.00 H new ATOM 805 N ARG A 98 2.089 24.299 -6.964 1.00 0.00 N ATOM 806 CA ARG A 98 2.452 23.253 -7.948 1.00 0.00 C ATOM 807 C ARG A 98 1.697 21.933 -7.709 1.00 0.00 C ATOM 808 O ARG A 98 1.357 21.603 -6.573 1.00 0.00 O ATOM 809 CB ARG A 98 3.979 23.025 -7.930 1.00 0.00 C ATOM 810 CG ARG A 98 4.824 24.250 -8.321 1.00 0.00 C ATOM 811 CD ARG A 98 4.604 24.694 -9.774 1.00 0.00 C ATOM 812 NE ARG A 98 5.544 25.765 -10.155 1.00 0.00 N ATOM 813 CZ ARG A 98 5.763 26.232 -11.372 1.00 0.00 C ATOM 814 NH1 ARG A 98 5.126 25.782 -12.418 1.00 0.00 N ATOM 815 NH2 ARG A 98 6.642 27.174 -11.569 1.00 0.00 N ATOM 0 H ARG A 98 2.550 24.166 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 98 2.151 23.608 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.272 22.705 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.217 22.206 -8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.583 25.078 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.879 24.018 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.732 23.841 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.580 25.045 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 98 6.082 26.190 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.430 25.043 -12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.324 26.169 -13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.166 27.555 -10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.806 27.530 -12.511 1.00 0.00 H new ATOM 829 N LEU A 99 1.438 21.186 -8.785 1.00 0.00 N ATOM 830 CA LEU A 99 0.722 19.898 -8.788 1.00 0.00 C ATOM 831 C LEU A 99 1.748 18.746 -8.907 1.00 0.00 C ATOM 832 O LEU A 99 2.423 18.624 -9.931 1.00 0.00 O ATOM 833 CB LEU A 99 -0.295 19.930 -9.954 1.00 0.00 C ATOM 834 CG LEU A 99 -1.456 18.907 -9.957 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.115 18.917 -11.338 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.037 17.479 -9.665 1.00 0.00 C ATOM 0 H LEU A 99 1.732 21.470 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 99 0.172 19.730 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.734 20.927 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.262 19.800 -10.882 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.129 19.216 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.936 18.200 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.500 19.914 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.379 18.644 -12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.913 16.831 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.322 17.148 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.574 17.430 -8.679 1.00 0.00 H new ATOM 848 N ASP A 100 1.849 17.885 -7.887 1.00 0.00 N ATOM 849 CA ASP A 100 2.740 16.710 -7.867 1.00 0.00 C ATOM 850 C ASP A 100 2.013 15.465 -7.322 1.00 0.00 C ATOM 851 O ASP A 100 1.567 15.452 -6.173 1.00 0.00 O ATOM 852 CB ASP A 100 3.993 17.012 -7.031 1.00 0.00 C ATOM 853 CG ASP A 100 4.932 18.012 -7.727 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.684 17.593 -8.643 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.956 19.207 -7.339 1.00 0.00 O ATOM 0 H ASP A 100 1.303 17.985 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 100 3.042 16.495 -8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.693 17.412 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.532 16.084 -6.839 1.00 0.00 H new ATOM 860 N MET A 101 1.876 14.418 -8.154 1.00 0.00 N ATOM 861 CA MET A 101 1.110 13.197 -7.831 1.00 0.00 C ATOM 862 C MET A 101 1.609 11.940 -8.566 1.00 0.00 C ATOM 863 O MET A 101 0.842 11.184 -9.163 1.00 0.00 O ATOM 864 CB MET A 101 -0.408 13.464 -7.940 1.00 0.00 C ATOM 865 CG MET A 101 -0.929 14.263 -9.137 1.00 0.00 C ATOM 866 SD MET A 101 -1.235 13.361 -10.672 1.00 0.00 S ATOM 867 CE MET A 101 -2.303 14.579 -11.489 1.00 0.00 C ATOM 0 H MET A 101 2.299 14.394 -9.082 1.00 0.00 H new ATOM 0 HA MET A 101 1.300 12.948 -6.787 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.914 12.499 -7.941 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.718 13.985 -7.034 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.860 14.746 -8.840 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.212 15.056 -9.350 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.603 14.202 -12.467 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.190 14.753 -10.879 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.759 15.515 -11.613 1.00 0.00 H new ATOM 877 N SER A 102 2.917 11.692 -8.476 1.00 0.00 N ATOM 878 CA SER A 102 3.516 10.389 -8.809 1.00 0.00 C ATOM 879 C SER A 102 3.075 9.302 -7.816 1.00 0.00 C ATOM 880 O SER A 102 2.680 9.598 -6.685 1.00 0.00 O ATOM 881 CB SER A 102 5.044 10.529 -8.846 1.00 0.00 C ATOM 882 OG SER A 102 5.653 9.327 -9.293 1.00 0.00 O ATOM 0 H SER A 102 3.596 12.388 -8.170 1.00 0.00 H new ATOM 0 HA SER A 102 3.166 10.077 -9.793 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.322 11.350 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.414 10.781 -7.852 1.00 0.00 H new ATOM 0 HG SER A 102 6.626 9.440 -9.310 1.00 0.00 H new ATOM 888 N ASP A 103 3.180 8.029 -8.201 1.00 0.00 N ATOM 889 CA ASP A 103 2.785 6.870 -7.386 1.00 0.00 C ATOM 890 C ASP A 103 3.381 6.922 -5.967 1.00 0.00 C ATOM 891 O ASP A 103 2.680 6.663 -4.990 1.00 0.00 O ATOM 892 CB ASP A 103 3.220 5.582 -8.100 1.00 0.00 C ATOM 893 CG ASP A 103 2.505 5.383 -9.449 1.00 0.00 C ATOM 894 OD1 ASP A 103 3.012 5.884 -10.484 1.00 0.00 O ATOM 895 OD2 ASP A 103 1.451 4.704 -9.481 1.00 0.00 O ATOM 0 H ASP A 103 3.552 7.764 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 103 1.701 6.890 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.297 5.608 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.016 4.727 -7.455 1.00 0.00 H new ATOM 900 N LYS A 104 4.635 7.381 -5.831 1.00 0.00 N ATOM 901 CA LYS A 104 5.300 7.600 -4.532 1.00 0.00 C ATOM 902 C LYS A 104 4.599 8.658 -3.670 1.00 0.00 C ATOM 903 O LYS A 104 4.441 8.449 -2.470 1.00 0.00 O ATOM 904 CB LYS A 104 6.781 7.963 -4.753 1.00 0.00 C ATOM 905 CG LYS A 104 7.579 6.805 -5.372 1.00 0.00 C ATOM 906 CD LYS A 104 9.066 7.178 -5.505 1.00 0.00 C ATOM 907 CE LYS A 104 9.930 6.020 -6.034 1.00 0.00 C ATOM 908 NZ LYS A 104 9.685 5.720 -7.475 1.00 0.00 N ATOM 0 H LYS A 104 5.225 7.614 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 104 5.235 6.665 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.846 8.835 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.230 8.243 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.477 5.914 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.172 6.560 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.162 8.032 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.445 7.492 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.983 6.266 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.730 5.126 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.295 4.932 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.688 5.457 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.901 6.562 -8.046 1.00 0.00 H new ATOM 922 N ALA A 105 4.106 9.751 -4.267 1.00 0.00 N ATOM 923 CA ALA A 105 3.292 10.755 -3.574 1.00 0.00 C ATOM 924 C ALA A 105 1.946 10.177 -3.123 1.00 0.00 C ATOM 925 O ALA A 105 1.490 10.456 -2.012 1.00 0.00 O ATOM 926 CB ALA A 105 3.132 11.988 -4.473 1.00 0.00 C ATOM 0 H ALA A 105 4.263 9.964 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 105 3.802 11.063 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.527 12.736 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.114 12.406 -4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.641 11.699 -5.402 1.00 0.00 H new ATOM 932 N ILE A 106 1.349 9.301 -3.941 1.00 0.00 N ATOM 933 CA ILE A 106 0.087 8.632 -3.580 1.00 0.00 C ATOM 934 C ILE A 106 0.308 7.692 -2.404 1.00 0.00 C ATOM 935 O ILE A 106 -0.427 7.783 -1.428 1.00 0.00 O ATOM 936 CB ILE A 106 -0.570 7.939 -4.799 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.345 8.974 -5.633 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.562 6.828 -4.403 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.463 10.033 -6.281 1.00 0.00 C ATOM 0 H ILE A 106 1.716 9.038 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.628 9.389 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 106 0.245 7.489 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.902 8.454 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.076 9.467 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.987 6.383 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.040 6.061 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.361 7.253 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.084 10.724 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.075 10.581 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.252 9.552 -6.949 1.00 0.00 H new ATOM 951 N PHE A 107 1.340 6.851 -2.440 1.00 0.00 N ATOM 952 CA PHE A 107 1.605 5.925 -1.327 1.00 0.00 C ATOM 953 C PHE A 107 2.025 6.665 -0.040 1.00 0.00 C ATOM 954 O PHE A 107 1.698 6.222 1.059 1.00 0.00 O ATOM 955 CB PHE A 107 2.640 4.860 -1.713 1.00 0.00 C ATOM 956 CG PHE A 107 2.402 4.149 -3.029 1.00 0.00 C ATOM 957 CD1 PHE A 107 1.096 3.797 -3.418 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.488 3.809 -3.858 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.872 3.132 -4.631 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.266 3.127 -5.069 1.00 0.00 C ATOM 961 CZ PHE A 107 1.956 2.790 -5.456 1.00 0.00 C ATOM 0 H PHE A 107 2.001 6.787 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 107 0.665 5.416 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.622 5.333 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.676 4.113 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.261 4.041 -2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.493 4.072 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.135 2.882 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.101 2.862 -5.701 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.784 2.269 -6.386 1.00 0.00 H new ATOM 971 N ARG A 108 2.700 7.822 -0.162 1.00 0.00 N ATOM 972 CA ARG A 108 3.086 8.680 0.976 1.00 0.00 C ATOM 973 C ARG A 108 1.880 9.347 1.654 1.00 0.00 C ATOM 974 O ARG A 108 1.817 9.355 2.884 1.00 0.00 O ATOM 975 CB ARG A 108 4.145 9.693 0.508 1.00 0.00 C ATOM 976 CG ARG A 108 4.726 10.524 1.665 1.00 0.00 C ATOM 977 CD ARG A 108 5.901 11.402 1.216 1.00 0.00 C ATOM 978 NE ARG A 108 7.093 10.597 0.868 1.00 0.00 N ATOM 979 CZ ARG A 108 8.227 11.043 0.356 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.420 12.303 0.088 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.204 10.219 0.102 1.00 0.00 N ATOM 0 H ARG A 108 2.997 8.193 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 108 3.525 8.053 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.954 9.161 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.700 10.363 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.943 11.155 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.057 9.855 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.600 11.996 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.156 12.102 2.012 1.00 0.00 H new ATOM 0 HE ARG A 108 7.033 9.594 1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.682 12.983 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.309 12.610 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.096 9.224 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.077 10.569 -0.293 1.00 0.00 H new ATOM 995 N ARG A 109 0.905 9.856 0.884 1.00 0.00 N ATOM 996 CA ARG A 109 -0.374 10.359 1.437 1.00 0.00 C ATOM 997 C ARG A 109 -1.289 9.231 1.940 1.00 0.00 C ATOM 998 O ARG A 109 -1.909 9.362 2.996 1.00 0.00 O ATOM 999 CB ARG A 109 -1.145 11.172 0.387 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.685 12.631 0.244 1.00 0.00 C ATOM 1001 CD ARG A 109 -1.721 13.382 -0.604 1.00 0.00 C ATOM 1002 NE ARG A 109 -1.481 14.837 -0.631 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.397 15.779 -0.790 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.661 15.535 -0.976 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -2.090 17.038 -0.777 1.00 0.00 N ATOM 0 H ARG A 109 0.974 9.933 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.103 10.990 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.048 10.678 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.204 11.162 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.588 13.096 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.296 12.675 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.701 12.995 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.718 13.189 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.516 15.147 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.996 14.572 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.318 16.307 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.121 17.325 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.818 17.742 -0.902 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.379 8.153 1.165 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.413 7.122 1.242 1.00 0.00 C ATOM 1021 C TYR A 110 -1.759 5.718 1.267 1.00 0.00 C ATOM 1022 O TYR A 110 -1.654 5.054 0.230 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.380 7.322 0.056 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.890 8.738 -0.161 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.730 9.348 0.789 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.528 9.442 -1.326 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.216 10.654 0.570 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.014 10.747 -1.551 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.858 11.358 -0.602 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.290 12.635 -0.809 1.00 0.00 O ATOM 0 H TYR A 110 -0.699 7.965 0.429 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.989 7.204 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.878 6.995 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.239 6.666 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.003 8.815 1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.875 8.980 -2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.863 11.117 1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.739 11.278 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.405 13.085 0.054 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.277 5.249 2.437 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.412 4.066 2.534 1.00 0.00 C ATOM 1042 C PRO A 111 -1.105 2.739 2.188 1.00 0.00 C ATOM 1043 O PRO A 111 -0.425 1.742 1.933 1.00 0.00 O ATOM 1044 CB PRO A 111 0.128 4.079 3.971 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.950 4.827 4.754 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.424 5.873 3.746 1.00 0.00 C ATOM 0 HA PRO A 111 0.382 4.123 1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.273 3.069 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.092 4.585 4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.759 4.166 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.550 5.286 5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.460 6.155 3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.828 6.783 3.816 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.441 2.713 2.124 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.226 1.541 1.723 1.00 0.00 C ATOM 1056 C HIS A 112 -3.199 1.256 0.205 1.00 0.00 C ATOM 1057 O HIS A 112 -3.644 0.180 -0.206 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.648 1.687 2.270 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.463 2.777 1.628 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.235 4.152 1.752 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.537 2.571 0.816 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.197 4.737 1.017 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.001 3.816 0.464 1.00 0.00 N ATOM 0 H HIS A 112 -3.018 3.522 2.354 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.758 0.659 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.170 0.739 2.142 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.592 1.878 3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.943 1.618 0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.308 5.804 0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.817 4.007 -0.118 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.672 2.171 -0.632 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.597 1.976 -2.092 1.00 0.00 C ATOM 1073 C LEU A 113 -1.361 1.169 -2.549 1.00 0.00 C ATOM 1074 O LEU A 113 -1.438 0.525 -3.600 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.679 3.326 -2.851 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.072 3.960 -3.036 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.076 3.057 -3.749 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.700 4.321 -1.710 1.00 0.00 C ATOM 0 H LEU A 113 -2.288 3.062 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.469 1.374 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.050 4.045 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.242 3.182 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.877 4.841 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.031 3.575 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.701 2.809 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.214 2.141 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.681 4.765 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.809 3.423 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.064 5.036 -1.189 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.247 1.187 -1.792 1.00 0.00 N ATOM 1091 CA ARG A 114 0.968 0.400 -2.091 1.00 0.00 C ATOM 1092 C ARG A 114 0.684 -1.118 -2.059 1.00 0.00 C ATOM 1093 O ARG A 114 0.915 -1.798 -3.085 1.00 0.00 O ATOM 1094 CB ARG A 114 2.104 0.808 -1.128 1.00 0.00 C ATOM 1095 CG ARG A 114 3.527 0.683 -1.705 1.00 0.00 C ATOM 1096 CD ARG A 114 3.889 -0.718 -2.207 1.00 0.00 C ATOM 1097 NE ARG A 114 5.304 -0.815 -2.607 1.00 0.00 N ATOM 1098 CZ ARG A 114 5.846 -1.773 -3.335 1.00 0.00 C ATOM 1099 NH1 ARG A 114 5.147 -2.779 -3.786 1.00 0.00 N ATOM 1100 NH2 ARG A 114 7.112 -1.744 -3.629 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.231 -1.633 -1.009 1.00 0.00 O ATOM 0 H ARG A 114 -0.163 1.753 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 114 1.292 0.623 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.944 1.841 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.037 0.193 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.635 1.389 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.243 0.976 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.683 -1.448 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.254 -0.974 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 114 5.924 -0.070 -2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.150 -2.841 -3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.598 -3.503 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.695 -0.976 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.522 -2.489 -4.192 1.00 0.00 H new TER 1115 ARG A 114