USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 6 THR OG1 : rot 110:sc= 0.0351 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -52:sc= 0.0366 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.0674 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -138:sc= 0.431 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 70 THR OG1 : rot 179:sc= -0.897 USER MOD Single : A 79 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -2.992 8.125 2.109 1.00 0.00 N ATOM 45 CA LEU A 4 -3.127 8.718 0.781 1.00 0.00 C ATOM 46 C LEU A 4 -3.853 7.760 -0.159 1.00 0.00 C ATOM 47 O LEU A 4 -4.949 8.050 -0.636 1.00 0.00 O ATOM 48 CB LEU A 4 -1.751 9.047 0.200 1.00 0.00 C ATOM 49 CG LEU A 4 -1.165 10.256 0.933 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.363 10.227 0.836 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.694 11.542 0.294 1.00 0.00 C ATOM 0 HA LEU A 4 -3.706 9.636 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.087 8.189 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.836 9.260 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.459 10.222 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.777 11.089 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.739 9.311 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.662 10.260 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.278 12.405 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.400 11.575 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.781 11.564 0.367 1.00 0.00 H new ATOM 63 N LEU A 5 -3.228 6.615 -0.422 1.00 0.00 N ATOM 64 CA LEU A 5 -3.825 5.620 -1.308 1.00 0.00 C ATOM 65 C LEU A 5 -4.690 4.650 -0.505 1.00 0.00 C ATOM 66 O LEU A 5 -4.662 4.648 0.725 1.00 0.00 O ATOM 67 CB LEU A 5 -2.732 4.841 -2.052 1.00 0.00 C ATOM 68 CG LEU A 5 -3.110 4.688 -3.530 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.179 6.068 -4.191 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.052 3.840 -4.240 1.00 0.00 C ATOM 0 H LEU A 5 -2.319 6.355 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.449 6.138 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.779 5.362 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.601 3.859 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.082 4.201 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.448 5.955 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.931 6.676 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.208 6.557 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.319 3.730 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.081 4.329 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.001 2.856 -3.774 1.00 0.00 H new ATOM 82 N THR A 6 -5.468 3.835 -1.212 1.00 0.00 N ATOM 83 CA THR A 6 -6.343 2.875 -0.543 1.00 0.00 C ATOM 84 C THR A 6 -6.185 1.476 -1.132 1.00 0.00 C ATOM 85 O THR A 6 -5.655 1.297 -2.232 1.00 0.00 O ATOM 86 CB THR A 6 -7.806 3.305 -0.677 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.000 3.930 -1.938 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.155 4.289 0.441 1.00 0.00 C ATOM 0 H THR A 6 -5.512 3.818 -2.231 1.00 0.00 H new ATOM 0 HA THR A 6 -6.057 2.851 0.509 1.00 0.00 H new ATOM 0 HB THR A 6 -8.451 2.430 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.536 3.346 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.197 4.595 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.006 3.809 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.512 5.166 0.368 1.00 0.00 H new ATOM 96 N THR A 7 -6.665 0.485 -0.382 1.00 0.00 N ATOM 97 CA THR A 7 -6.596 -0.907 -0.819 1.00 0.00 C ATOM 98 C THR A 7 -7.342 -1.080 -2.137 1.00 0.00 C ATOM 99 O THR A 7 -6.853 -1.725 -3.062 1.00 0.00 O ATOM 100 CB THR A 7 -7.215 -1.825 0.240 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.602 -1.576 1.497 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.998 -3.286 -0.155 1.00 0.00 C ATOM 0 H THR A 7 -7.105 0.620 0.528 1.00 0.00 H new ATOM 0 HA THR A 7 -5.549 -1.175 -0.959 1.00 0.00 H new ATOM 0 HB THR A 7 -8.285 -1.627 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.998 -2.161 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.439 -3.936 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.470 -3.476 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.929 -3.488 -0.228 1.00 0.00 H new ATOM 110 N ASP A 8 -8.526 -0.479 -2.220 1.00 0.00 N ATOM 111 CA ASP A 8 -9.320 -0.558 -3.443 1.00 0.00 C ATOM 112 C ASP A 8 -8.540 0.044 -4.612 1.00 0.00 C ATOM 113 O ASP A 8 -8.705 -0.360 -5.764 1.00 0.00 O ATOM 114 CB ASP A 8 -10.640 0.200 -3.278 1.00 0.00 C ATOM 115 CG ASP A 8 -10.354 1.627 -2.822 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.005 2.438 -3.663 1.00 0.00 O ATOM 117 OD2 ASP A 8 -10.490 1.887 -1.637 1.00 0.00 O ATOM 0 H ASP A 8 -8.952 0.061 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.534 -1.608 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.186 0.211 -4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.273 -0.306 -2.549 1.00 0.00 H new ATOM 122 N ASP A 9 -7.681 1.013 -4.296 1.00 0.00 N ATOM 123 CA ASP A 9 -6.869 1.665 -5.316 1.00 0.00 C ATOM 124 C ASP A 9 -5.913 0.662 -5.955 1.00 0.00 C ATOM 125 O ASP A 9 -5.807 0.583 -7.179 1.00 0.00 O ATOM 126 CB ASP A 9 -6.058 2.808 -4.706 1.00 0.00 C ATOM 127 CG ASP A 9 -5.842 3.895 -5.755 1.00 0.00 C ATOM 128 OD1 ASP A 9 -6.824 4.474 -6.189 1.00 0.00 O ATOM 129 OD2 ASP A 9 -4.699 4.131 -6.107 1.00 0.00 O ATOM 0 H ASP A 9 -7.532 1.360 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.540 2.064 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.582 3.219 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.098 2.436 -4.349 1.00 0.00 H new ATOM 134 N LEU A 10 -5.215 -0.109 -5.118 1.00 0.00 N ATOM 135 CA LEU A 10 -4.272 -1.101 -5.637 1.00 0.00 C ATOM 136 C LEU A 10 -5.015 -2.138 -6.491 1.00 0.00 C ATOM 137 O LEU A 10 -4.473 -2.673 -7.458 1.00 0.00 O ATOM 138 CB LEU A 10 -3.485 -1.781 -4.481 1.00 0.00 C ATOM 139 CG LEU A 10 -4.210 -3.025 -3.930 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.724 -4.266 -4.681 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.901 -3.190 -2.443 1.00 0.00 C ATOM 0 H LEU A 10 -5.282 -0.068 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.545 -0.592 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.496 -2.068 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.337 -1.063 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.285 -2.903 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.234 -5.148 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.942 -4.157 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.649 -4.378 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.416 -4.071 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.826 -3.310 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.240 -2.307 -1.901 1.00 0.00 H new ATOM 153 N ARG A 11 -6.260 -2.413 -6.107 1.00 0.00 N ATOM 154 CA ARG A 11 -7.079 -3.386 -6.824 1.00 0.00 C ATOM 155 C ARG A 11 -7.260 -2.971 -8.280 1.00 0.00 C ATOM 156 O ARG A 11 -7.032 -3.759 -9.192 1.00 0.00 O ATOM 157 CB ARG A 11 -8.458 -3.508 -6.167 1.00 0.00 C ATOM 158 CG ARG A 11 -8.927 -4.966 -6.217 1.00 0.00 C ATOM 159 CD ARG A 11 -10.438 -5.011 -6.452 1.00 0.00 C ATOM 160 NE ARG A 11 -10.759 -4.622 -7.822 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.996 -4.272 -8.165 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.619 -3.340 -7.495 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.587 -4.859 -9.169 1.00 0.00 N ATOM 0 H ARG A 11 -6.721 -1.978 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.567 -4.347 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.410 -3.167 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.174 -2.868 -6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.409 -5.498 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.679 -5.471 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.812 -6.016 -6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.940 -4.343 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.023 -4.618 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.157 -2.881 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.567 -3.071 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.101 -5.587 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.535 -4.590 -9.431 1.00 0.00 H new ATOM 177 N ARG A 12 -7.682 -1.726 -8.482 1.00 0.00 N ATOM 178 CA ARG A 12 -7.902 -1.213 -9.834 1.00 0.00 C ATOM 179 C ARG A 12 -6.613 -1.258 -10.653 1.00 0.00 C ATOM 180 O ARG A 12 -6.618 -1.647 -11.822 1.00 0.00 O ATOM 181 CB ARG A 12 -8.410 0.231 -9.782 1.00 0.00 C ATOM 182 CG ARG A 12 -9.941 0.233 -9.758 1.00 0.00 C ATOM 183 CD ARG A 12 -10.457 1.597 -10.222 1.00 0.00 C ATOM 184 NE ARG A 12 -10.201 1.787 -11.647 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.124 2.321 -12.443 1.00 0.00 C ATOM 186 NH1 ARG A 12 -12.032 1.562 -12.991 1.00 0.00 N ATOM 187 NH2 ARG A 12 -11.118 3.605 -12.676 1.00 0.00 N ATOM 0 H ARG A 12 -7.877 -1.058 -7.736 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.649 -1.848 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.021 0.733 -8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.048 0.786 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.326 -0.553 -10.407 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.300 0.020 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.527 1.673 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.972 2.389 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.302 1.506 -12.038 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.035 0.558 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.739 1.972 -13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.407 4.198 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.825 4.016 -13.286 1.00 0.00 H new ATOM 201 N ALA A 13 -5.510 -0.851 -10.031 1.00 0.00 N ATOM 202 CA ALA A 13 -4.217 -0.843 -10.716 1.00 0.00 C ATOM 203 C ALA A 13 -3.834 -2.248 -11.176 1.00 0.00 C ATOM 204 O ALA A 13 -3.145 -2.419 -12.181 1.00 0.00 O ATOM 205 CB ALA A 13 -3.124 -0.310 -9.788 1.00 0.00 C ATOM 0 H ALA A 13 -5.483 -0.525 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.309 -0.194 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.169 -0.311 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.370 0.707 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.054 -0.946 -8.906 1.00 0.00 H new ATOM 211 N LEU A 14 -4.285 -3.250 -10.427 1.00 0.00 N ATOM 212 CA LEU A 14 -3.978 -4.640 -10.765 1.00 0.00 C ATOM 213 C LEU A 14 -4.977 -5.196 -11.783 1.00 0.00 C ATOM 214 O LEU A 14 -4.688 -6.163 -12.486 1.00 0.00 O ATOM 215 CB LEU A 14 -4.008 -5.512 -9.506 1.00 0.00 C ATOM 216 CG LEU A 14 -2.612 -5.547 -8.874 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.737 -5.564 -7.348 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.872 -6.804 -9.340 1.00 0.00 C ATOM 0 H LEU A 14 -4.858 -3.130 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.980 -4.660 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.731 -5.116 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.330 -6.522 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.055 -4.662 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.743 -5.589 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.261 -4.668 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.296 -6.447 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.879 -6.829 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.431 -7.689 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.779 -6.790 -10.426 1.00 0.00 H new ATOM 230 N VAL A 15 -6.156 -4.576 -11.860 1.00 0.00 N ATOM 231 CA VAL A 15 -7.180 -5.026 -12.801 1.00 0.00 C ATOM 232 C VAL A 15 -6.805 -4.635 -14.229 1.00 0.00 C ATOM 233 O VAL A 15 -7.196 -5.299 -15.189 1.00 0.00 O ATOM 234 CB VAL A 15 -8.540 -4.408 -12.447 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.625 -4.997 -13.355 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.879 -4.709 -10.977 1.00 0.00 C ATOM 0 H VAL A 15 -6.422 -3.773 -11.291 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.248 -6.112 -12.733 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.493 -3.329 -12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.590 -4.557 -13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.387 -4.777 -14.396 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.671 -6.077 -13.214 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.845 -4.269 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.922 -5.788 -10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.110 -4.284 -10.332 1.00 0.00 H new ATOM 246 N GLU A 16 -6.042 -3.549 -14.363 1.00 0.00 N ATOM 247 CA GLU A 16 -5.620 -3.078 -15.683 1.00 0.00 C ATOM 248 C GLU A 16 -4.881 -4.178 -16.443 1.00 0.00 C ATOM 249 O GLU A 16 -4.939 -4.250 -17.671 1.00 0.00 O ATOM 250 CB GLU A 16 -4.700 -1.863 -15.547 1.00 0.00 C ATOM 251 CG GLU A 16 -5.545 -0.591 -15.451 1.00 0.00 C ATOM 252 CD GLU A 16 -4.685 0.619 -15.799 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.810 0.944 -15.013 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.914 1.203 -16.845 1.00 0.00 O ATOM 0 H GLU A 16 -5.707 -2.984 -13.583 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.516 -2.799 -16.238 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.075 -1.965 -14.660 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.030 -1.803 -16.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.395 -0.654 -16.131 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.949 -0.486 -14.444 1.00 0.00 H new ATOM 261 N CYS A 17 -4.192 -5.038 -15.697 1.00 0.00 N ATOM 262 CA CYS A 17 -3.449 -6.135 -16.310 1.00 0.00 C ATOM 263 C CYS A 17 -4.399 -7.267 -16.691 1.00 0.00 C ATOM 264 O CYS A 17 -4.280 -7.865 -17.761 1.00 0.00 O ATOM 265 CB CYS A 17 -2.395 -6.676 -15.342 1.00 0.00 C ATOM 266 SG CYS A 17 -1.147 -5.401 -15.036 1.00 0.00 S ATOM 0 H CYS A 17 -4.133 -4.998 -14.680 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.956 -5.752 -17.204 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.865 -6.973 -14.404 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.926 -7.567 -15.759 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.252 -5.859 -14.212 1.00 0.00 H new ATOM 272 N ALA A 18 -5.346 -7.551 -15.801 1.00 0.00 N ATOM 273 CA ALA A 18 -6.320 -8.611 -16.048 1.00 0.00 C ATOM 274 C ALA A 18 -7.715 -8.156 -15.634 1.00 0.00 C ATOM 275 O ALA A 18 -8.143 -8.372 -14.500 1.00 0.00 O ATOM 276 CB ALA A 18 -5.953 -9.871 -15.262 1.00 0.00 C ATOM 0 H ALA A 18 -5.460 -7.067 -14.910 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.311 -8.835 -17.115 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.690 -10.650 -15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.967 -10.218 -15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.940 -9.644 -14.196 1.00 0.00 H new ATOM 400 N ASP A 29 -11.125 -11.022 1.072 1.00 0.00 N ATOM 401 CA ASP A 29 -9.773 -10.475 0.971 1.00 0.00 C ATOM 402 C ASP A 29 -9.150 -10.838 -0.374 1.00 0.00 C ATOM 403 O ASP A 29 -9.629 -11.726 -1.076 1.00 0.00 O ATOM 404 CB ASP A 29 -8.887 -11.025 2.092 1.00 0.00 C ATOM 405 CG ASP A 29 -7.839 -9.984 2.469 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.226 -8.922 2.928 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.665 -10.263 2.293 1.00 0.00 O ATOM 0 HA ASP A 29 -9.842 -9.391 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.495 -11.275 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.401 -11.945 1.768 1.00 0.00 H new ATOM 412 N PHE A 30 -8.073 -10.140 -0.720 1.00 0.00 N ATOM 413 CA PHE A 30 -7.385 -10.396 -1.983 1.00 0.00 C ATOM 414 C PHE A 30 -5.880 -10.134 -1.854 1.00 0.00 C ATOM 415 O PHE A 30 -5.193 -9.912 -2.852 1.00 0.00 O ATOM 416 CB PHE A 30 -7.974 -9.513 -3.101 1.00 0.00 C ATOM 417 CG PHE A 30 -7.603 -8.054 -2.897 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.012 -7.374 -1.742 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.845 -7.384 -3.867 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.665 -6.032 -1.560 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.498 -6.042 -3.684 1.00 0.00 C ATOM 422 CZ PHE A 30 -6.907 -5.365 -2.532 1.00 0.00 C ATOM 0 H PHE A 30 -7.660 -9.400 -0.152 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.532 -11.445 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.606 -9.853 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.059 -9.617 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.596 -7.887 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.528 -7.906 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.981 -5.509 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.914 -5.528 -4.433 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.639 -4.328 -2.391 1.00 0.00 H new ATOM 432 N LEU A 31 -5.378 -10.143 -0.622 1.00 0.00 N ATOM 433 CA LEU A 31 -3.961 -9.885 -0.394 1.00 0.00 C ATOM 434 C LEU A 31 -3.259 -11.102 0.204 1.00 0.00 C ATOM 435 O LEU A 31 -2.054 -11.283 0.029 1.00 0.00 O ATOM 436 CB LEU A 31 -3.790 -8.688 0.539 1.00 0.00 C ATOM 437 CG LEU A 31 -4.497 -7.476 -0.071 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.808 -6.449 1.022 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.592 -6.844 -1.131 1.00 0.00 C ATOM 0 H LEU A 31 -5.922 -10.323 0.222 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.504 -9.668 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.208 -8.913 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.732 -8.472 0.685 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.431 -7.796 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.311 -5.589 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.455 -6.902 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.879 -6.124 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.092 -5.980 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.657 -6.527 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.381 -7.575 -1.912 1.00 0.00 H new ATOM 451 N ASP A 32 -4.017 -11.942 0.910 1.00 0.00 N ATOM 452 CA ASP A 32 -3.444 -13.143 1.521 1.00 0.00 C ATOM 453 C ASP A 32 -2.776 -14.014 0.460 1.00 0.00 C ATOM 454 O ASP A 32 -1.764 -14.667 0.714 1.00 0.00 O ATOM 455 CB ASP A 32 -4.534 -13.959 2.220 1.00 0.00 C ATOM 456 CG ASP A 32 -4.764 -13.407 3.622 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.789 -13.206 4.326 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.914 -13.193 3.972 1.00 0.00 O ATOM 0 H ASP A 32 -5.016 -11.816 1.072 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.701 -12.827 2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.459 -13.917 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.240 -15.007 2.274 1.00 0.00 H new ATOM 463 N LEU A 33 -3.355 -14.005 -0.737 1.00 0.00 N ATOM 464 CA LEU A 33 -2.817 -14.785 -1.845 1.00 0.00 C ATOM 465 C LEU A 33 -3.143 -14.103 -3.171 1.00 0.00 C ATOM 466 O LEU A 33 -4.091 -14.474 -3.863 1.00 0.00 O ATOM 467 CB LEU A 33 -3.409 -16.197 -1.847 1.00 0.00 C ATOM 468 CG LEU A 33 -2.508 -17.130 -1.035 1.00 0.00 C ATOM 469 CD1 LEU A 33 -3.203 -18.480 -0.849 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.184 -17.335 -1.778 1.00 0.00 C ATOM 0 H LEU A 33 -4.193 -13.469 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.736 -14.851 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.413 -16.183 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.501 -16.563 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.313 -16.686 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.560 -19.144 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.145 -18.335 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.400 -18.925 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.542 -18.000 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.380 -17.778 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.687 -16.374 -1.909 1.00 0.00 H new ATOM 482 N ARG A 34 -2.350 -13.089 -3.511 1.00 0.00 N ATOM 483 CA ARG A 34 -2.563 -12.351 -4.753 1.00 0.00 C ATOM 484 C ARG A 34 -1.370 -12.523 -5.690 1.00 0.00 C ATOM 485 O ARG A 34 -1.525 -12.917 -6.845 1.00 0.00 O ATOM 486 CB ARG A 34 -2.773 -10.862 -4.458 1.00 0.00 C ATOM 487 CG ARG A 34 -3.715 -10.261 -5.505 1.00 0.00 C ATOM 488 CD ARG A 34 -2.896 -9.619 -6.626 1.00 0.00 C ATOM 489 NE ARG A 34 -3.776 -9.028 -7.632 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.319 -9.772 -8.591 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.686 -9.946 -9.719 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.485 -10.328 -8.405 1.00 0.00 N ATOM 0 H ARG A 34 -1.563 -12.763 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.454 -12.750 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.192 -10.734 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.817 -10.339 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.363 -11.037 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.362 -9.516 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.241 -8.852 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.255 -10.368 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.977 -8.029 -7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.775 -9.511 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.102 -10.517 -10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.980 -10.192 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.901 -10.899 -9.141 1.00 0.00 H new ATOM 506 N PHE A 35 -0.176 -12.231 -5.178 1.00 0.00 N ATOM 507 CA PHE A 35 1.038 -12.368 -5.982 1.00 0.00 C ATOM 508 C PHE A 35 1.468 -13.834 -6.027 1.00 0.00 C ATOM 509 O PHE A 35 2.030 -14.301 -7.018 1.00 0.00 O ATOM 510 CB PHE A 35 2.182 -11.533 -5.395 1.00 0.00 C ATOM 511 CG PHE A 35 2.037 -10.084 -5.810 1.00 0.00 C ATOM 512 CD1 PHE A 35 0.834 -9.406 -5.576 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.108 -9.413 -6.419 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.702 -8.063 -5.948 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.970 -8.073 -6.789 1.00 0.00 C ATOM 516 CZ PHE A 35 1.772 -7.398 -6.554 1.00 0.00 C ATOM 0 H PHE A 35 -0.023 -11.903 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 35 0.818 -12.011 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.177 -11.610 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.140 -11.923 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.007 -9.920 -5.108 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.038 -9.932 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.226 -7.541 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.794 -7.557 -7.259 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.671 -6.362 -6.840 1.00 0.00 H new ATOM 526 N GLU A 36 1.197 -14.553 -4.938 1.00 0.00 N ATOM 527 CA GLU A 36 1.557 -15.966 -4.857 1.00 0.00 C ATOM 528 C GLU A 36 0.573 -16.814 -5.656 1.00 0.00 C ATOM 529 O GLU A 36 0.959 -17.773 -6.323 1.00 0.00 O ATOM 530 CB GLU A 36 1.558 -16.438 -3.403 1.00 0.00 C ATOM 531 CG GLU A 36 2.907 -16.112 -2.761 1.00 0.00 C ATOM 532 CD GLU A 36 3.148 -17.040 -1.575 1.00 0.00 C ATOM 533 OE1 GLU A 36 2.214 -17.256 -0.820 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.260 -17.522 -1.441 1.00 0.00 O ATOM 0 H GLU A 36 0.734 -14.184 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 36 2.557 -16.081 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.754 -15.951 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.372 -17.511 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.706 -16.226 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.923 -15.073 -2.432 1.00 0.00 H new ATOM 541 N ASP A 37 -0.707 -16.444 -5.586 1.00 0.00 N ATOM 542 CA ASP A 37 -1.746 -17.176 -6.315 1.00 0.00 C ATOM 543 C ASP A 37 -1.432 -17.179 -7.808 1.00 0.00 C ATOM 544 O ASP A 37 -1.164 -18.223 -8.401 1.00 0.00 O ATOM 545 CB ASP A 37 -3.113 -16.525 -6.094 1.00 0.00 C ATOM 546 CG ASP A 37 -4.200 -17.593 -6.144 1.00 0.00 C ATOM 547 OD1 ASP A 37 -4.429 -18.225 -5.126 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.788 -17.763 -7.199 1.00 0.00 O ATOM 0 H ASP A 37 -1.047 -15.653 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.770 -18.200 -5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.133 -16.015 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.295 -15.769 -6.858 1.00 0.00 H new ATOM 553 N ILE A 38 -1.447 -15.989 -8.400 1.00 0.00 N ATOM 554 CA ILE A 38 -1.139 -15.851 -9.817 1.00 0.00 C ATOM 555 C ILE A 38 0.375 -15.940 -10.007 1.00 0.00 C ATOM 556 O ILE A 38 1.131 -15.814 -9.044 1.00 0.00 O ATOM 557 CB ILE A 38 -1.669 -14.503 -10.345 1.00 0.00 C ATOM 558 CG1 ILE A 38 -1.441 -14.415 -11.857 1.00 0.00 C ATOM 559 CG2 ILE A 38 -0.958 -13.335 -9.640 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.172 -13.192 -12.414 1.00 0.00 C ATOM 0 H ILE A 38 -1.667 -15.114 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.622 -16.651 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.737 -14.438 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.375 -14.343 -12.071 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.803 -15.321 -12.343 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.343 -12.390 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.140 -13.392 -8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.114 -13.394 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.009 -13.130 -13.490 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.239 -13.283 -12.213 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.789 -12.290 -11.936 1.00 0.00 H new ATOM 572 N GLY A 39 0.814 -16.166 -11.243 1.00 0.00 N ATOM 573 CA GLY A 39 2.245 -16.271 -11.520 1.00 0.00 C ATOM 574 C GLY A 39 2.860 -14.888 -11.726 1.00 0.00 C ATOM 575 O GLY A 39 3.198 -14.504 -12.846 1.00 0.00 O ATOM 0 H GLY A 39 0.210 -16.279 -12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.744 -16.776 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.404 -16.881 -12.409 1.00 0.00 H new ATOM 579 N TYR A 40 3.005 -14.143 -10.630 1.00 0.00 N ATOM 580 CA TYR A 40 3.583 -12.805 -10.696 1.00 0.00 C ATOM 581 C TYR A 40 4.850 -12.737 -9.846 1.00 0.00 C ATOM 582 O TYR A 40 4.855 -12.164 -8.755 1.00 0.00 O ATOM 583 CB TYR A 40 2.587 -11.752 -10.186 1.00 0.00 C ATOM 584 CG TYR A 40 1.798 -11.181 -11.343 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.130 -12.034 -12.230 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.736 -9.795 -11.526 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.401 -11.500 -13.300 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.007 -9.261 -12.595 1.00 0.00 C ATOM 589 CZ TYR A 40 0.339 -10.114 -13.482 1.00 0.00 C ATOM 590 OH TYR A 40 -0.381 -9.588 -14.536 1.00 0.00 O ATOM 0 H TYR A 40 2.732 -14.442 -9.694 1.00 0.00 H new ATOM 0 HA TYR A 40 3.823 -12.596 -11.739 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.909 -12.202 -9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.121 -10.954 -9.671 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.177 -13.104 -12.089 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.251 -9.137 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.113 -12.158 -13.985 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.960 -8.191 -12.736 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.322 -8.610 -14.517 1.00 0.00 H new ATOM 600 N ASP A 41 5.931 -13.320 -10.356 1.00 0.00 N ATOM 601 CA ASP A 41 7.191 -13.299 -9.631 1.00 0.00 C ATOM 602 C ASP A 41 7.706 -11.869 -9.574 1.00 0.00 C ATOM 603 O ASP A 41 7.273 -11.013 -10.336 1.00 0.00 O ATOM 604 CB ASP A 41 8.236 -14.202 -10.299 1.00 0.00 C ATOM 605 CG ASP A 41 8.310 -13.909 -11.795 1.00 0.00 C ATOM 606 OD1 ASP A 41 7.525 -14.482 -12.533 1.00 0.00 O ATOM 607 OD2 ASP A 41 9.159 -13.125 -12.182 1.00 0.00 O ATOM 0 H ASP A 41 5.958 -13.804 -11.253 1.00 0.00 H new ATOM 0 HA ASP A 41 7.019 -13.678 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.212 -14.041 -9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.978 -15.249 -10.139 1.00 0.00 H new ATOM 612 N SER A 42 8.617 -11.614 -8.653 1.00 0.00 N ATOM 613 CA SER A 42 9.167 -10.267 -8.492 1.00 0.00 C ATOM 614 C SER A 42 9.927 -9.802 -9.741 1.00 0.00 C ATOM 615 O SER A 42 10.223 -8.616 -9.883 1.00 0.00 O ATOM 616 CB SER A 42 10.112 -10.224 -7.292 1.00 0.00 C ATOM 617 OG SER A 42 9.376 -10.486 -6.105 1.00 0.00 O ATOM 0 H SER A 42 8.993 -12.309 -8.008 1.00 0.00 H new ATOM 0 HA SER A 42 8.324 -9.594 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.905 -10.962 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.592 -9.248 -7.228 1.00 0.00 H new ATOM 0 HG SER A 42 8.606 -9.882 -6.058 1.00 0.00 H new ATOM 623 N LEU A 43 10.253 -10.734 -10.637 1.00 0.00 N ATOM 624 CA LEU A 43 10.990 -10.377 -11.849 1.00 0.00 C ATOM 625 C LEU A 43 10.048 -9.967 -12.986 1.00 0.00 C ATOM 626 O LEU A 43 10.448 -9.255 -13.907 1.00 0.00 O ATOM 627 CB LEU A 43 11.842 -11.559 -12.317 1.00 0.00 C ATOM 628 CG LEU A 43 13.155 -11.584 -11.532 1.00 0.00 C ATOM 629 CD1 LEU A 43 13.591 -13.034 -11.311 1.00 0.00 C ATOM 630 CD2 LEU A 43 14.237 -10.844 -12.323 1.00 0.00 C ATOM 0 H LEU A 43 10.024 -11.724 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 43 11.627 -9.528 -11.601 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.300 -12.493 -12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.046 -11.474 -13.384 1.00 0.00 H new ATOM 0 HG LEU A 43 13.010 -11.096 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.526 -13.051 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.822 -13.563 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.736 -13.521 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.173 -10.862 -11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.381 -11.332 -13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.929 -9.811 -12.482 1.00 0.00 H new ATOM 642 N ALA A 44 8.801 -10.428 -12.924 1.00 0.00 N ATOM 643 CA ALA A 44 7.827 -10.104 -13.967 1.00 0.00 C ATOM 644 C ALA A 44 7.063 -8.826 -13.628 1.00 0.00 C ATOM 645 O ALA A 44 6.947 -7.918 -14.451 1.00 0.00 O ATOM 646 CB ALA A 44 6.825 -11.249 -14.133 1.00 0.00 C ATOM 0 H ALA A 44 8.443 -11.019 -12.174 1.00 0.00 H new ATOM 0 HA ALA A 44 8.377 -9.955 -14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.107 -10.994 -14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.356 -12.159 -14.413 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.298 -11.411 -13.193 1.00 0.00 H new ATOM 652 N LEU A 45 6.534 -8.773 -12.410 1.00 0.00 N ATOM 653 CA LEU A 45 5.767 -7.613 -11.964 1.00 0.00 C ATOM 654 C LEU A 45 6.660 -6.384 -11.737 1.00 0.00 C ATOM 655 O LEU A 45 6.159 -5.292 -11.478 1.00 0.00 O ATOM 656 CB LEU A 45 5.009 -7.943 -10.666 1.00 0.00 C ATOM 657 CG LEU A 45 5.989 -8.182 -9.508 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.169 -6.885 -8.722 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.428 -9.257 -8.570 1.00 0.00 C ATOM 0 H LEU A 45 6.621 -9.516 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 45 5.058 -7.372 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.335 -7.124 -10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.392 -8.829 -10.815 1.00 0.00 H new ATOM 0 HG LEU A 45 6.947 -8.510 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.864 -7.052 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.565 -6.112 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.206 -6.564 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.126 -9.424 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.470 -8.926 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.289 -10.186 -9.123 1.00 0.00 H new ATOM 671 N MET A 46 7.979 -6.564 -11.817 1.00 0.00 N ATOM 672 CA MET A 46 8.902 -5.450 -11.599 1.00 0.00 C ATOM 673 C MET A 46 8.640 -4.310 -12.584 1.00 0.00 C ATOM 674 O MET A 46 8.239 -3.214 -12.192 1.00 0.00 O ATOM 675 CB MET A 46 10.351 -5.916 -11.757 1.00 0.00 C ATOM 676 CG MET A 46 11.289 -4.881 -11.134 1.00 0.00 C ATOM 677 SD MET A 46 12.791 -5.703 -10.547 1.00 0.00 S ATOM 678 CE MET A 46 13.632 -5.808 -12.144 1.00 0.00 C ATOM 0 H MET A 46 8.427 -7.456 -12.028 1.00 0.00 H new ATOM 0 HA MET A 46 8.738 -5.087 -10.584 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.488 -6.884 -11.275 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.589 -6.049 -12.812 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.543 -4.117 -11.868 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.791 -4.375 -10.307 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.600 -6.292 -12.014 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.025 -6.390 -12.837 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.779 -4.805 -12.545 1.00 0.00 H new ATOM 688 N GLU A 47 8.881 -4.575 -13.866 1.00 0.00 N ATOM 689 CA GLU A 47 8.680 -3.557 -14.898 1.00 0.00 C ATOM 690 C GLU A 47 7.224 -3.099 -14.937 1.00 0.00 C ATOM 691 O GLU A 47 6.933 -1.935 -15.213 1.00 0.00 O ATOM 692 CB GLU A 47 9.065 -4.108 -16.273 1.00 0.00 C ATOM 693 CG GLU A 47 10.589 -4.104 -16.414 1.00 0.00 C ATOM 694 CD GLU A 47 11.044 -2.767 -16.992 1.00 0.00 C ATOM 695 OE1 GLU A 47 10.837 -2.555 -18.175 1.00 0.00 O ATOM 696 OE2 GLU A 47 11.592 -1.976 -16.242 1.00 0.00 O ATOM 0 H GLU A 47 9.212 -5.475 -14.214 1.00 0.00 H new ATOM 0 HA GLU A 47 9.316 -2.706 -14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.680 -5.121 -16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.614 -3.502 -17.059 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.055 -4.270 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.907 -4.920 -17.063 1.00 0.00 H new ATOM 703 N THR A 48 6.313 -4.027 -14.658 1.00 0.00 N ATOM 704 CA THR A 48 4.881 -3.714 -14.664 1.00 0.00 C ATOM 705 C THR A 48 4.573 -2.554 -13.717 1.00 0.00 C ATOM 706 O THR A 48 3.777 -1.669 -14.031 1.00 0.00 O ATOM 707 CB THR A 48 4.073 -4.942 -14.229 1.00 0.00 C ATOM 708 OG1 THR A 48 4.434 -6.053 -15.038 1.00 0.00 O ATOM 709 CG2 THR A 48 2.579 -4.661 -14.384 1.00 0.00 C ATOM 0 H THR A 48 6.535 -4.995 -14.426 1.00 0.00 H new ATOM 0 HA THR A 48 4.603 -3.428 -15.678 1.00 0.00 H new ATOM 0 HB THR A 48 4.288 -5.164 -13.184 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.256 -6.458 -14.690 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.010 -5.537 -14.073 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.302 -3.810 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.357 -4.436 -15.427 1.00 0.00 H new ATOM 717 N ALA A 49 5.216 -2.575 -12.557 1.00 0.00 N ATOM 718 CA ALA A 49 5.013 -1.529 -11.560 1.00 0.00 C ATOM 719 C ALA A 49 5.801 -0.275 -11.928 1.00 0.00 C ATOM 720 O ALA A 49 5.415 0.838 -11.575 1.00 0.00 O ATOM 721 CB ALA A 49 5.463 -2.012 -10.181 1.00 0.00 C ATOM 0 H ALA A 49 5.879 -3.300 -12.283 1.00 0.00 H new ATOM 0 HA ALA A 49 3.949 -1.293 -11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.305 -1.220 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.884 -2.890 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.521 -2.270 -10.213 1.00 0.00 H new ATOM 727 N ALA A 50 6.911 -0.465 -12.641 1.00 0.00 N ATOM 728 CA ALA A 50 7.746 0.665 -13.051 1.00 0.00 C ATOM 729 C ALA A 50 6.945 1.635 -13.914 1.00 0.00 C ATOM 730 O ALA A 50 7.132 2.850 -13.846 1.00 0.00 O ATOM 731 CB ALA A 50 8.958 0.174 -13.846 1.00 0.00 C ATOM 0 H ALA A 50 7.250 -1.378 -12.944 1.00 0.00 H new ATOM 0 HA ALA A 50 8.086 1.176 -12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.568 1.027 -14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.551 -0.498 -13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.619 -0.357 -14.736 1.00 0.00 H new ATOM 737 N ARG A 51 6.046 1.083 -14.723 1.00 0.00 N ATOM 738 CA ARG A 51 5.212 1.906 -15.597 1.00 0.00 C ATOM 739 C ARG A 51 3.942 2.338 -14.866 1.00 0.00 C ATOM 740 O ARG A 51 3.407 3.420 -15.107 1.00 0.00 O ATOM 741 CB ARG A 51 4.822 1.129 -16.854 1.00 0.00 C ATOM 742 CG ARG A 51 6.015 1.069 -17.809 1.00 0.00 C ATOM 743 CD ARG A 51 5.668 0.181 -19.005 1.00 0.00 C ATOM 744 NE ARG A 51 6.501 0.519 -20.157 1.00 0.00 N ATOM 745 CZ ARG A 51 7.029 -0.432 -20.921 1.00 0.00 C ATOM 746 NH1 ARG A 51 6.366 -0.884 -21.950 1.00 0.00 N ATOM 747 NH2 ARG A 51 8.210 -0.913 -20.644 1.00 0.00 N ATOM 0 H ARG A 51 5.876 0.080 -14.793 1.00 0.00 H new ATOM 0 HA ARG A 51 5.788 2.787 -15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.505 0.121 -16.587 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.975 1.610 -17.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.272 2.072 -18.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.889 0.674 -17.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.812 -0.867 -18.741 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.616 0.303 -19.262 1.00 0.00 H new ATOM 0 HE ARG A 51 6.680 1.499 -20.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.443 -0.508 -22.168 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.770 -1.614 -22.537 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.729 -0.559 -19.840 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.614 -1.643 -21.231 1.00 0.00 H new ATOM 761 N LEU A 52 3.467 1.476 -13.972 1.00 0.00 N ATOM 762 CA LEU A 52 2.257 1.770 -13.207 1.00 0.00 C ATOM 763 C LEU A 52 2.430 3.038 -12.371 1.00 0.00 C ATOM 764 O LEU A 52 1.463 3.741 -12.081 1.00 0.00 O ATOM 765 CB LEU A 52 1.924 0.603 -12.276 1.00 0.00 C ATOM 766 CG LEU A 52 0.506 0.770 -11.728 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.487 0.072 -12.658 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.424 0.143 -10.334 1.00 0.00 C ATOM 0 H LEU A 52 3.896 0.575 -13.760 1.00 0.00 H new ATOM 0 HA LEU A 52 1.444 1.921 -13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.007 -0.340 -12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.640 0.565 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 52 0.262 1.831 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.497 0.191 -12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.428 0.515 -13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.244 -0.989 -12.719 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.586 0.261 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.668 -0.918 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.132 0.639 -9.670 1.00 0.00 H new ATOM 780 N GLU A 53 3.671 3.318 -11.981 1.00 0.00 N ATOM 781 CA GLU A 53 3.959 4.500 -11.170 1.00 0.00 C ATOM 782 C GLU A 53 4.194 5.734 -12.044 1.00 0.00 C ATOM 783 O GLU A 53 4.072 6.867 -11.579 1.00 0.00 O ATOM 784 CB GLU A 53 5.199 4.263 -10.304 1.00 0.00 C ATOM 785 CG GLU A 53 6.380 3.871 -11.196 1.00 0.00 C ATOM 786 CD GLU A 53 7.672 4.425 -10.606 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.762 5.633 -10.456 1.00 0.00 O ATOM 788 OE2 GLU A 53 8.553 3.633 -10.313 1.00 0.00 O ATOM 0 H GLU A 53 4.486 2.750 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 53 3.091 4.678 -10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.439 5.164 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.002 3.475 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.442 2.786 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.232 4.260 -12.204 1.00 0.00 H new ATOM 795 N SER A 54 4.542 5.509 -13.313 1.00 0.00 N ATOM 796 CA SER A 54 4.802 6.615 -14.237 1.00 0.00 C ATOM 797 C SER A 54 3.623 7.588 -14.290 1.00 0.00 C ATOM 798 O SER A 54 3.797 8.778 -14.550 1.00 0.00 O ATOM 799 CB SER A 54 5.063 6.082 -15.645 1.00 0.00 C ATOM 800 OG SER A 54 5.697 7.092 -16.420 1.00 0.00 O ATOM 0 H SER A 54 4.650 4.580 -13.721 1.00 0.00 H new ATOM 0 HA SER A 54 5.681 7.144 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.693 5.194 -15.599 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.125 5.784 -16.113 1.00 0.00 H new ATOM 0 HG SER A 54 5.867 6.753 -17.323 1.00 0.00 H new ATOM 806 N ARG A 55 2.423 7.070 -14.043 1.00 0.00 N ATOM 807 CA ARG A 55 1.227 7.910 -14.071 1.00 0.00 C ATOM 808 C ARG A 55 0.962 8.524 -12.696 1.00 0.00 C ATOM 809 O ARG A 55 0.391 9.609 -12.588 1.00 0.00 O ATOM 810 CB ARG A 55 0.004 7.099 -14.506 1.00 0.00 C ATOM 811 CG ARG A 55 -0.158 5.882 -13.593 1.00 0.00 C ATOM 812 CD ARG A 55 -1.544 5.270 -13.802 1.00 0.00 C ATOM 813 NE ARG A 55 -2.034 4.678 -12.561 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.258 4.163 -12.483 1.00 0.00 C ATOM 815 NH1 ARG A 55 -3.619 3.212 -13.300 1.00 0.00 N ATOM 816 NH2 ARG A 55 -4.097 4.610 -11.590 1.00 0.00 N ATOM 0 H ARG A 55 2.252 6.088 -13.824 1.00 0.00 H new ATOM 0 HA ARG A 55 1.402 8.709 -14.792 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.891 7.720 -14.463 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.118 6.777 -15.541 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.614 5.144 -13.812 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.032 6.176 -12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.239 6.037 -14.145 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.498 4.509 -14.581 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.428 4.659 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.963 2.863 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.558 2.817 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.814 5.354 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.036 4.216 -11.530 1.00 0.00 H new ATOM 830 N TYR A 56 1.384 7.821 -11.646 1.00 0.00 N ATOM 831 CA TYR A 56 1.186 8.314 -10.283 1.00 0.00 C ATOM 832 C TYR A 56 1.897 9.650 -10.084 1.00 0.00 C ATOM 833 O TYR A 56 1.355 10.571 -9.474 1.00 0.00 O ATOM 834 CB TYR A 56 1.726 7.308 -9.261 1.00 0.00 C ATOM 835 CG TYR A 56 0.627 6.355 -8.849 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.169 5.378 -9.742 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.067 6.450 -7.569 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.849 4.497 -9.352 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.949 5.569 -7.181 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.407 4.593 -8.072 1.00 0.00 C ATOM 841 OH TYR A 56 -2.410 3.726 -7.690 1.00 0.00 O ATOM 0 H TYR A 56 1.859 6.921 -11.710 1.00 0.00 H new ATOM 0 HA TYR A 56 0.115 8.447 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.560 6.752 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.110 7.834 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.600 5.304 -10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.419 7.204 -6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.203 3.743 -10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.379 5.643 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.100 4.220 -7.199 1.00 0.00 H new ATOM 851 N GLY A 57 3.119 9.745 -10.601 1.00 0.00 N ATOM 852 CA GLY A 57 3.898 10.975 -10.468 1.00 0.00 C ATOM 853 C GLY A 57 4.911 10.865 -9.327 1.00 0.00 C ATOM 854 O GLY A 57 5.920 11.570 -9.307 1.00 0.00 O ATOM 0 H GLY A 57 3.588 8.996 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.419 11.182 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.228 11.815 -10.284 1.00 0.00 H new ATOM 858 N VAL A 58 4.630 9.974 -8.375 1.00 0.00 N ATOM 859 CA VAL A 58 5.519 9.779 -7.232 1.00 0.00 C ATOM 860 C VAL A 58 6.917 9.347 -7.713 1.00 0.00 C ATOM 861 O VAL A 58 7.149 9.197 -8.912 1.00 0.00 O ATOM 862 CB VAL A 58 4.891 8.737 -6.272 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.178 7.296 -6.727 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.428 8.943 -4.854 1.00 0.00 C ATOM 0 H VAL A 58 3.800 9.381 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 58 5.640 10.716 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 58 3.811 8.886 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.721 6.596 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.762 7.139 -7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.255 7.131 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.982 8.207 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.511 8.823 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.174 9.946 -4.511 1.00 0.00 H new ATOM 874 N SER A 59 7.842 9.157 -6.771 1.00 0.00 N ATOM 875 CA SER A 59 9.203 8.751 -7.121 1.00 0.00 C ATOM 876 C SER A 59 9.188 7.425 -7.880 1.00 0.00 C ATOM 877 O SER A 59 8.134 6.946 -8.298 1.00 0.00 O ATOM 878 CB SER A 59 10.055 8.598 -5.860 1.00 0.00 C ATOM 879 OG SER A 59 9.766 9.667 -4.967 1.00 0.00 O ATOM 0 H SER A 59 7.677 9.276 -5.772 1.00 0.00 H new ATOM 0 HA SER A 59 9.633 9.525 -7.757 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.847 7.642 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.114 8.601 -6.119 1.00 0.00 H new ATOM 0 HG SER A 59 10.309 9.572 -4.157 1.00 0.00 H new ATOM 885 N ILE A 60 10.371 6.842 -8.066 1.00 0.00 N ATOM 886 CA ILE A 60 10.476 5.577 -8.791 1.00 0.00 C ATOM 887 C ILE A 60 11.117 4.488 -7.917 1.00 0.00 C ATOM 888 O ILE A 60 12.298 4.173 -8.075 1.00 0.00 O ATOM 889 CB ILE A 60 11.312 5.755 -10.063 1.00 0.00 C ATOM 890 CG1 ILE A 60 12.635 6.449 -9.719 1.00 0.00 C ATOM 891 CG2 ILE A 60 10.537 6.611 -11.067 1.00 0.00 C ATOM 892 CD1 ILE A 60 13.742 5.919 -10.630 1.00 0.00 C ATOM 0 H ILE A 60 11.258 7.218 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 60 9.465 5.268 -9.057 1.00 0.00 H new ATOM 0 HB ILE A 60 11.518 4.777 -10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.534 7.527 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 60 12.891 6.269 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.131 6.738 -11.972 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.597 6.118 -11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.330 7.587 -10.629 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.682 6.413 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.848 4.844 -10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 60 13.486 6.122 -11.670 1.00 0.00 H new ATOM 904 N PRO A 61 10.349 3.889 -6.991 1.00 0.00 N ATOM 905 CA PRO A 61 10.871 2.824 -6.116 1.00 0.00 C ATOM 906 C PRO A 61 10.816 1.451 -6.784 1.00 0.00 C ATOM 907 O PRO A 61 9.938 0.635 -6.495 1.00 0.00 O ATOM 908 CB PRO A 61 9.919 2.885 -4.930 1.00 0.00 C ATOM 909 CG PRO A 61 8.618 3.507 -5.429 1.00 0.00 C ATOM 910 CD PRO A 61 8.927 4.225 -6.749 1.00 0.00 C ATOM 0 HA PRO A 61 11.920 2.964 -5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.740 1.888 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.346 3.481 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.859 2.739 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.222 4.208 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.287 3.874 -7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.776 5.301 -6.667 1.00 0.00 H new ATOM 918 N ASP A 62 11.759 1.212 -7.688 1.00 0.00 N ATOM 919 CA ASP A 62 11.812 -0.060 -8.408 1.00 0.00 C ATOM 920 C ASP A 62 12.572 -1.124 -7.614 1.00 0.00 C ATOM 921 O ASP A 62 12.436 -2.319 -7.877 1.00 0.00 O ATOM 922 CB ASP A 62 12.498 0.126 -9.762 1.00 0.00 C ATOM 923 CG ASP A 62 11.482 0.627 -10.782 1.00 0.00 C ATOM 924 OD1 ASP A 62 10.450 -0.008 -10.923 1.00 0.00 O ATOM 925 OD2 ASP A 62 11.751 1.639 -11.409 1.00 0.00 O ATOM 0 H ASP A 62 12.493 1.874 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 62 10.784 -0.394 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.319 0.837 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.929 -0.818 -10.096 1.00 0.00 H new ATOM 930 N ASP A 63 13.382 -0.689 -6.651 1.00 0.00 N ATOM 931 CA ASP A 63 14.159 -1.629 -5.846 1.00 0.00 C ATOM 932 C ASP A 63 13.271 -2.343 -4.826 1.00 0.00 C ATOM 933 O ASP A 63 13.077 -3.557 -4.895 1.00 0.00 O ATOM 934 CB ASP A 63 15.282 -0.898 -5.106 1.00 0.00 C ATOM 935 CG ASP A 63 16.358 -1.899 -4.697 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.979 -2.466 -5.582 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.546 -2.084 -3.506 1.00 0.00 O ATOM 0 H ASP A 63 13.517 0.293 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 63 14.587 -2.368 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.712 -0.127 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.884 -0.395 -4.224 1.00 0.00 H new ATOM 942 N VAL A 64 12.745 -1.578 -3.873 1.00 0.00 N ATOM 943 CA VAL A 64 11.891 -2.152 -2.835 1.00 0.00 C ATOM 944 C VAL A 64 10.617 -2.748 -3.440 1.00 0.00 C ATOM 945 O VAL A 64 10.195 -3.846 -3.077 1.00 0.00 O ATOM 946 CB VAL A 64 11.525 -1.079 -1.794 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.699 0.036 -2.444 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.719 -1.715 -0.656 1.00 0.00 C ATOM 0 H VAL A 64 12.892 -0.571 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 64 12.446 -2.952 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 64 12.445 -0.651 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.448 0.787 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.278 0.500 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.782 -0.384 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.462 -0.952 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.806 -2.154 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.315 -2.492 -0.178 1.00 0.00 H new ATOM 958 N ALA A 65 10.010 -2.009 -4.363 1.00 0.00 N ATOM 959 CA ALA A 65 8.782 -2.470 -5.008 1.00 0.00 C ATOM 960 C ALA A 65 9.076 -3.616 -5.973 1.00 0.00 C ATOM 961 O ALA A 65 8.241 -4.495 -6.187 1.00 0.00 O ATOM 962 CB ALA A 65 8.121 -1.328 -5.780 1.00 0.00 C ATOM 0 H ALA A 65 10.342 -1.098 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 65 8.108 -2.820 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.208 -1.689 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.877 -0.518 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.806 -0.961 -6.545 1.00 0.00 H new ATOM 968 N GLY A 66 10.271 -3.596 -6.555 1.00 0.00 N ATOM 969 CA GLY A 66 10.662 -4.640 -7.500 1.00 0.00 C ATOM 970 C GLY A 66 10.729 -5.998 -6.814 1.00 0.00 C ATOM 971 O GLY A 66 10.407 -7.025 -7.409 1.00 0.00 O ATOM 0 H GLY A 66 10.978 -2.879 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.947 -4.678 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.633 -4.399 -7.933 1.00 0.00 H new ATOM 975 N ARG A 67 11.155 -5.993 -5.553 1.00 0.00 N ATOM 976 CA ARG A 67 11.266 -7.237 -4.793 1.00 0.00 C ATOM 977 C ARG A 67 10.039 -7.438 -3.906 1.00 0.00 C ATOM 978 O ARG A 67 10.144 -7.898 -2.768 1.00 0.00 O ATOM 979 CB ARG A 67 12.523 -7.216 -3.918 1.00 0.00 C ATOM 980 CG ARG A 67 12.967 -8.651 -3.628 1.00 0.00 C ATOM 981 CD ARG A 67 14.441 -8.656 -3.216 1.00 0.00 C ATOM 982 NE ARG A 67 15.032 -9.974 -3.433 1.00 0.00 N ATOM 983 CZ ARG A 67 15.769 -10.557 -2.493 1.00 0.00 C ATOM 984 NH1 ARG A 67 16.852 -9.973 -2.058 1.00 0.00 N ATOM 985 NH2 ARG A 67 15.408 -11.712 -2.004 1.00 0.00 N ATOM 0 H ARG A 67 11.426 -5.154 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 67 11.332 -8.061 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.321 -6.672 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.320 -6.691 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.355 -9.079 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.823 -9.273 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.987 -7.908 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.531 -8.380 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 67 14.877 -10.454 -4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.133 -9.070 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.418 -10.420 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.560 -12.167 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.973 -12.160 -1.283 1.00 0.00 H new ATOM 999 N VAL A 68 8.870 -7.094 -4.440 1.00 0.00 N ATOM 1000 CA VAL A 68 7.627 -7.245 -3.689 1.00 0.00 C ATOM 1001 C VAL A 68 7.079 -8.665 -3.850 1.00 0.00 C ATOM 1002 O VAL A 68 6.750 -9.096 -4.954 1.00 0.00 O ATOM 1003 CB VAL A 68 6.582 -6.223 -4.169 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.216 -6.489 -5.635 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.318 -6.322 -3.303 1.00 0.00 C ATOM 0 H VAL A 68 8.757 -6.713 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 68 7.837 -7.064 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 68 7.006 -5.223 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.476 -5.759 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.109 -6.404 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.803 -7.493 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.582 -5.596 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.901 -7.326 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.572 -6.115 -2.263 1.00 0.00 H new ATOM 1015 N ASP A 69 6.987 -9.383 -2.736 1.00 0.00 N ATOM 1016 CA ASP A 69 6.479 -10.751 -2.767 1.00 0.00 C ATOM 1017 C ASP A 69 4.985 -10.769 -2.461 1.00 0.00 C ATOM 1018 O ASP A 69 4.229 -11.552 -3.035 1.00 0.00 O ATOM 1019 CB ASP A 69 7.207 -11.618 -1.738 1.00 0.00 C ATOM 1020 CG ASP A 69 8.509 -12.135 -2.340 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.441 -12.837 -3.336 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.555 -11.824 -1.796 1.00 0.00 O ATOM 0 H ASP A 69 7.254 -9.047 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 69 6.653 -11.152 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.415 -11.037 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.575 -12.454 -1.439 1.00 0.00 H new ATOM 1027 N THR A 70 4.568 -9.895 -1.551 1.00 0.00 N ATOM 1028 CA THR A 70 3.160 -9.816 -1.176 1.00 0.00 C ATOM 1029 C THR A 70 2.483 -8.634 -1.881 1.00 0.00 C ATOM 1030 O THR A 70 3.156 -7.711 -2.336 1.00 0.00 O ATOM 1031 CB THR A 70 3.012 -9.651 0.341 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.193 -9.066 0.871 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.787 -11.020 0.989 1.00 0.00 C ATOM 0 H THR A 70 5.177 -9.238 -1.064 1.00 0.00 H new ATOM 0 HA THR A 70 2.679 -10.745 -1.483 1.00 0.00 H new ATOM 0 HB THR A 70 2.159 -9.007 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.092 -8.944 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.682 -10.899 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.880 -11.469 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.638 -11.667 0.777 1.00 0.00 H new ATOM 1041 N PRO A 71 1.144 -8.647 -1.984 1.00 0.00 N ATOM 1042 CA PRO A 71 0.400 -7.559 -2.649 1.00 0.00 C ATOM 1043 C PRO A 71 0.248 -6.325 -1.764 1.00 0.00 C ATOM 1044 O PRO A 71 0.455 -5.195 -2.208 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.954 -8.201 -2.912 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.113 -9.327 -1.900 1.00 0.00 C ATOM 1047 CD PRO A 71 0.289 -9.732 -1.447 1.00 0.00 C ATOM 0 HA PRO A 71 0.906 -7.194 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.755 -7.470 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.008 -8.586 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.711 -8.998 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.632 -10.175 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.358 -9.799 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.576 -10.705 -1.845 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.118 -6.554 -0.504 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.296 -5.454 0.447 1.00 0.00 C ATOM 1057 C ARG A 72 0.956 -4.573 0.512 1.00 0.00 C ATOM 1058 O ARG A 72 0.882 -3.388 0.843 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.587 -6.004 1.845 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.270 -4.927 2.691 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.822 -5.556 3.970 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.040 -4.872 4.397 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.134 -5.557 4.714 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.069 -6.529 5.581 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.275 -5.257 4.155 1.00 0.00 N ATOM 0 H ARG A 72 -0.296 -7.482 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.137 -4.852 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.226 -6.884 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.340 -6.321 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.559 -4.139 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.077 -4.462 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.032 -6.612 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.073 -5.503 4.760 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.051 -3.854 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.178 -6.765 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.910 -7.054 5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.326 -4.498 3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.115 -5.782 4.397 1.00 0.00 H new ATOM 1079 N GLU A 73 2.107 -5.165 0.193 1.00 0.00 N ATOM 1080 CA GLU A 73 3.369 -4.428 0.218 1.00 0.00 C ATOM 1081 C GLU A 73 3.364 -3.310 -0.820 1.00 0.00 C ATOM 1082 O GLU A 73 3.779 -2.186 -0.542 1.00 0.00 O ATOM 1083 CB GLU A 73 4.541 -5.365 -0.076 1.00 0.00 C ATOM 1084 CG GLU A 73 4.988 -6.044 1.218 1.00 0.00 C ATOM 1085 CD GLU A 73 6.439 -6.492 1.084 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.314 -5.664 1.276 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.655 -7.657 0.794 1.00 0.00 O ATOM 0 H GLU A 73 2.191 -6.143 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 73 3.481 -3.998 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.245 -6.115 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.369 -4.804 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.885 -5.355 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.350 -6.902 1.430 1.00 0.00 H new ATOM 1094 N LEU A 74 2.900 -3.635 -2.026 1.00 0.00 N ATOM 1095 CA LEU A 74 2.856 -2.653 -3.110 1.00 0.00 C ATOM 1096 C LEU A 74 2.036 -1.426 -2.705 1.00 0.00 C ATOM 1097 O LEU A 74 2.435 -0.289 -2.958 1.00 0.00 O ATOM 1098 CB LEU A 74 2.247 -3.279 -4.373 1.00 0.00 C ATOM 1099 CG LEU A 74 3.083 -2.896 -5.599 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.419 -3.640 -5.558 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.327 -3.278 -6.873 1.00 0.00 C ATOM 0 H LEU A 74 2.552 -4.561 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 74 3.879 -2.339 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.211 -4.364 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.220 -2.936 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 74 3.264 -1.821 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.014 -3.368 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.959 -3.368 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.237 -4.715 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.922 -3.005 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.145 -4.353 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.375 -2.748 -6.904 1.00 0.00 H new ATOM 1113 N LEU A 75 0.890 -1.666 -2.070 1.00 0.00 N ATOM 1114 CA LEU A 75 0.025 -0.566 -1.632 1.00 0.00 C ATOM 1115 C LEU A 75 0.780 0.353 -0.673 1.00 0.00 C ATOM 1116 O LEU A 75 0.867 1.558 -0.893 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.228 -1.117 -0.933 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.166 0.031 -0.525 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -3.069 0.408 -1.699 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.032 -0.420 0.652 1.00 0.00 C ATOM 0 H LEU A 75 0.540 -2.598 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.277 0.003 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.751 -1.803 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.938 -1.688 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.570 0.897 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.731 1.222 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.456 0.728 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.665 -0.456 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.699 0.391 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.623 -1.287 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.392 -0.686 1.494 1.00 0.00 H new ATOM 1132 N ASP A 76 1.316 -0.228 0.395 1.00 0.00 N ATOM 1133 CA ASP A 76 2.058 0.553 1.384 1.00 0.00 C ATOM 1134 C ASP A 76 3.301 1.204 0.767 1.00 0.00 C ATOM 1135 O ASP A 76 3.872 2.134 1.339 1.00 0.00 O ATOM 1136 CB ASP A 76 2.492 -0.339 2.548 1.00 0.00 C ATOM 1137 CG ASP A 76 1.283 -0.661 3.420 1.00 0.00 C ATOM 1138 OD1 ASP A 76 0.816 0.234 4.105 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.842 -1.798 3.391 1.00 0.00 O ATOM 0 H ASP A 76 1.253 -1.225 0.599 1.00 0.00 H new ATOM 0 HA ASP A 76 1.393 1.338 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.936 -1.260 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.257 0.164 3.140 1.00 0.00 H new ATOM 1144 N LEU A 77 3.722 0.709 -0.397 1.00 0.00 N ATOM 1145 CA LEU A 77 4.904 1.254 -1.064 1.00 0.00 C ATOM 1146 C LEU A 77 4.604 2.620 -1.675 1.00 0.00 C ATOM 1147 O LEU A 77 5.163 3.634 -1.265 1.00 0.00 O ATOM 1148 CB LEU A 77 5.370 0.305 -2.177 1.00 0.00 C ATOM 1149 CG LEU A 77 6.888 0.415 -2.384 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.268 1.850 -2.767 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.627 0.004 -1.099 1.00 0.00 C ATOM 0 H LEU A 77 3.269 -0.059 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 77 5.689 1.361 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.106 -0.721 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.853 0.545 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 77 7.180 -0.255 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.347 1.915 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.761 2.126 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.967 2.531 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.703 0.085 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.329 0.661 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.374 -1.026 -0.847 1.00 0.00 H new ATOM 1163 N ILE A 78 3.721 2.629 -2.671 1.00 0.00 N ATOM 1164 CA ILE A 78 3.354 3.874 -3.353 1.00 0.00 C ATOM 1165 C ILE A 78 2.810 4.899 -2.354 1.00 0.00 C ATOM 1166 O ILE A 78 3.027 6.101 -2.493 1.00 0.00 O ATOM 1167 CB ILE A 78 2.290 3.592 -4.424 1.00 0.00 C ATOM 1168 CG1 ILE A 78 2.846 2.595 -5.446 1.00 0.00 C ATOM 1169 CG2 ILE A 78 1.911 4.889 -5.148 1.00 0.00 C ATOM 1170 CD1 ILE A 78 1.722 2.138 -6.376 1.00 0.00 C ATOM 0 H ILE A 78 3.248 1.797 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 78 4.249 4.281 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 78 1.405 3.177 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.645 3.058 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.280 1.737 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.156 4.676 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.512 5.604 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.795 5.310 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.117 1.429 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.938 1.658 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.309 3.001 -6.898 1.00 0.00 H new ATOM 1182 N ASN A 79 2.091 4.400 -1.357 1.00 0.00 N ATOM 1183 CA ASN A 79 1.496 5.260 -0.334 1.00 0.00 C ATOM 1184 C ASN A 79 2.561 6.116 0.356 1.00 0.00 C ATOM 1185 O ASN A 79 2.501 7.345 0.332 1.00 0.00 O ATOM 1186 CB ASN A 79 0.784 4.403 0.720 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.532 5.060 1.122 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.552 6.211 1.561 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.645 4.390 0.995 1.00 0.00 N ATOM 0 H ASN A 79 1.904 3.405 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 79 0.780 5.919 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.596 3.405 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.423 4.283 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.532 4.819 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.628 3.437 0.631 1.00 0.00 H new ATOM 1196 N GLY A 80 3.530 5.450 0.978 1.00 0.00 N ATOM 1197 CA GLY A 80 4.600 6.154 1.684 1.00 0.00 C ATOM 1198 C GLY A 80 5.432 7.010 0.732 1.00 0.00 C ATOM 1199 O GLY A 80 6.028 8.008 1.136 1.00 0.00 O ATOM 0 H GLY A 80 3.598 4.433 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.170 6.786 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.245 5.431 2.182 1.00 0.00 H new ATOM 1203 N ALA A 81 5.474 6.608 -0.536 1.00 0.00 N ATOM 1204 CA ALA A 81 6.245 7.346 -1.533 1.00 0.00 C ATOM 1205 C ALA A 81 5.586 8.686 -1.845 1.00 0.00 C ATOM 1206 O ALA A 81 6.258 9.657 -2.193 1.00 0.00 O ATOM 1207 CB ALA A 81 6.358 6.535 -2.826 1.00 0.00 C ATOM 0 H ALA A 81 4.989 5.785 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 81 7.239 7.522 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.935 7.098 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.858 5.589 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.361 6.340 -3.221 1.00 0.00 H new ATOM 1213 N LEU A 82 4.261 8.730 -1.721 1.00 0.00 N ATOM 1214 CA LEU A 82 3.520 9.957 -2.000 1.00 0.00 C ATOM 1215 C LEU A 82 3.601 10.913 -0.814 1.00 0.00 C ATOM 1216 O LEU A 82 3.715 12.127 -0.985 1.00 0.00 O ATOM 1217 CB LEU A 82 2.051 9.639 -2.289 1.00 0.00 C ATOM 1218 CG LEU A 82 1.504 10.631 -3.317 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.852 10.151 -4.726 1.00 0.00 C ATOM 1220 CD2 LEU A 82 -0.016 10.728 -3.171 1.00 0.00 C ATOM 0 H LEU A 82 3.684 7.940 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 82 3.968 10.429 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.956 8.620 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.469 9.695 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 82 1.949 11.612 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.462 10.858 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.935 10.082 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.408 9.170 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.407 11.435 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.461 9.747 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.264 11.071 -2.167 1.00 0.00 H new ATOM 1232 N ALA A 83 3.538 10.353 0.392 1.00 0.00 N ATOM 1233 CA ALA A 83 3.605 11.166 1.603 1.00 0.00 C ATOM 1234 C ALA A 83 4.935 11.909 1.674 1.00 0.00 C ATOM 1235 O ALA A 83 4.985 13.092 2.014 1.00 0.00 O ATOM 1236 CB ALA A 83 3.456 10.288 2.847 1.00 0.00 C ATOM 0 H ALA A 83 3.442 9.351 0.556 1.00 0.00 H new ATOM 0 HA ALA A 83 2.788 11.887 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.508 10.911 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.494 9.776 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.259 9.551 2.871 1.00 0.00 H new ATOM 1242 N GLU A 84 6.012 11.201 1.346 1.00 0.00 N ATOM 1243 CA GLU A 84 7.343 11.800 1.372 1.00 0.00 C ATOM 1244 C GLU A 84 7.537 12.725 0.174 1.00 0.00 C ATOM 1245 O GLU A 84 8.270 13.712 0.246 1.00 0.00 O ATOM 1246 CB GLU A 84 8.422 10.716 1.341 1.00 0.00 C ATOM 1247 CG GLU A 84 9.650 11.195 2.114 1.00 0.00 C ATOM 1248 CD GLU A 84 10.775 10.176 1.967 1.00 0.00 C ATOM 1249 OE1 GLU A 84 10.588 9.051 2.398 1.00 0.00 O ATOM 1250 OE2 GLU A 84 11.807 10.536 1.424 1.00 0.00 O ATOM 0 H GLU A 84 5.991 10.222 1.062 1.00 0.00 H new ATOM 0 HA GLU A 84 7.432 12.374 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.039 9.795 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.694 10.489 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.973 12.166 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.401 11.328 3.167 1.00 0.00 H new ATOM 1257 N ALA A 85 6.872 12.394 -0.932 1.00 0.00 N ATOM 1258 CA ALA A 85 6.978 13.202 -2.146 1.00 0.00 C ATOM 1259 C ALA A 85 6.505 14.629 -1.885 1.00 0.00 C ATOM 1260 O ALA A 85 7.011 15.583 -2.477 1.00 0.00 O ATOM 1261 CB ALA A 85 6.130 12.595 -3.266 1.00 0.00 C ATOM 0 H ALA A 85 6.261 11.581 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 85 8.025 13.218 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.219 13.208 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.479 11.585 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.086 12.559 -2.954 1.00 0.00 H new ATOM 1267 N ALA A 86 5.530 14.763 -0.992 1.00 0.00 N ATOM 1268 CA ALA A 86 4.993 16.080 -0.656 1.00 0.00 C ATOM 1269 C ALA A 86 5.794 16.708 0.479 1.00 0.00 C ATOM 1270 O ALA A 86 6.061 17.895 0.404 1.00 0.00 O ATOM 1271 CB ALA A 86 3.528 15.969 -0.231 1.00 0.00 C ATOM 1272 OXT ALA A 86 6.130 15.990 1.408 1.00 0.00 O ATOM 0 H ALA A 86 5.098 13.986 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 86 5.066 16.709 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.145 16.959 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.943 15.547 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.451 15.322 0.643 1.00 0.00 H new