USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= 1.79 K(o=1.9,f=-11!) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 8 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.6) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.11) USER MOD Single : A 50 CYS SG : rot 180:sc= -3.11! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -20:sc= 0.387 USER MOD Single : A 57 MET CE :methyl -106:sc= -1.45 (180deg=-2.9) USER MOD Single : A 66 GLN : amide:sc= -0.0697 K(o=-0.07,f=-0.67) USER MOD Single : A 73 THR OG1 : rot 61:sc= 0.51 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -2.506 -1.338 11.729 1.00 33.21 N ATOM 67 CA GLY A 6 -2.145 -1.056 10.343 1.00 4.10 C ATOM 68 C GLY A 6 -1.508 0.319 10.125 1.00 50.52 C ATOM 69 O GLY A 6 -1.703 1.248 10.915 1.00 24.24 O ATOM 0 HA2 GLY A 6 -1.452 -1.823 9.997 1.00 4.10 H new ATOM 0 HA3 GLY A 6 -3.039 -1.131 9.724 1.00 4.10 H new ATOM 73 N PHE A 7 -0.737 0.439 9.045 1.00 1.02 N ATOM 74 CA PHE A 7 -0.114 1.711 8.650 1.00 40.33 C ATOM 75 C PHE A 7 -0.816 2.308 7.419 1.00 1.15 C ATOM 76 O PHE A 7 -1.433 1.584 6.636 1.00 3.53 O ATOM 77 CB PHE A 7 1.381 1.502 8.365 1.00 61.02 C ATOM 78 CG PHE A 7 2.195 1.204 9.600 1.00 42.12 C ATOM 79 CD1 PHE A 7 2.031 0.012 10.291 1.00 23.14 C ATOM 80 CD2 PHE A 7 3.119 2.124 10.078 1.00 52.23 C ATOM 81 CE1 PHE A 7 2.772 -0.257 11.425 1.00 71.20 C ATOM 82 CE2 PHE A 7 3.864 1.860 11.212 1.00 71.22 C ATOM 83 CZ PHE A 7 3.689 0.668 11.887 1.00 65.25 C ATOM 0 H PHE A 7 -0.524 -0.337 8.418 1.00 1.02 H new ATOM 0 HA PHE A 7 -0.221 2.416 9.475 1.00 40.33 H new ATOM 0 HB2 PHE A 7 1.496 0.681 7.657 1.00 61.02 H new ATOM 0 HB3 PHE A 7 1.779 2.396 7.884 1.00 61.02 H new ATOM 0 HD1 PHE A 7 1.315 -0.715 9.938 1.00 23.14 H new ATOM 0 HD2 PHE A 7 3.257 3.059 9.556 1.00 52.23 H new ATOM 0 HE1 PHE A 7 2.635 -1.190 11.951 1.00 71.20 H new ATOM 0 HE2 PHE A 7 4.581 2.584 11.569 1.00 71.22 H new ATOM 0 HZ PHE A 7 4.268 0.459 12.775 1.00 65.25 H new ATOM 93 N GLN A 8 -0.711 3.625 7.251 1.00 63.41 N ATOM 94 CA GLN A 8 -1.434 4.343 6.190 1.00 13.31 C ATOM 95 C GLN A 8 -0.530 4.725 5.005 1.00 63.34 C ATOM 96 O GLN A 8 0.483 5.413 5.173 1.00 4.55 O ATOM 97 CB GLN A 8 -2.075 5.619 6.757 1.00 73.13 C ATOM 98 CG GLN A 8 -3.125 5.374 7.835 1.00 71.31 C ATOM 99 CD GLN A 8 -3.735 6.668 8.354 1.00 73.30 C ATOM 100 OE1 GLN A 8 -3.087 7.707 8.384 1.00 24.32 O ATOM 101 NE2 GLN A 8 -4.990 6.623 8.754 1.00 20.42 N ATOM 0 H GLN A 8 -0.130 4.224 7.837 1.00 63.41 H new ATOM 0 HA GLN A 8 -2.199 3.660 5.820 1.00 13.31 H new ATOM 0 HB2 GLN A 8 -1.290 6.252 7.170 1.00 73.13 H new ATOM 0 HB3 GLN A 8 -2.535 6.174 5.939 1.00 73.13 H new ATOM 0 HG2 GLN A 8 -3.914 4.739 7.432 1.00 71.31 H new ATOM 0 HG3 GLN A 8 -2.671 4.831 8.664 1.00 71.31 H new ATOM 0 HE21 GLN A 8 -5.506 5.744 8.718 1.00 20.42 H new ATOM 0 HE22 GLN A 8 -5.446 7.468 9.100 1.00 20.42 H new ATOM 110 N TYR A 9 -0.914 4.278 3.813 1.00 21.53 N ATOM 111 CA TYR A 9 -0.287 4.719 2.557 1.00 1.42 C ATOM 112 C TYR A 9 -1.264 5.604 1.762 1.00 25.23 C ATOM 113 O TYR A 9 -2.438 5.705 2.120 1.00 55.34 O ATOM 114 CB TYR A 9 0.134 3.506 1.713 1.00 54.22 C ATOM 115 CG TYR A 9 1.215 2.652 2.355 1.00 42.32 C ATOM 116 CD1 TYR A 9 0.911 1.757 3.377 1.00 1.24 C ATOM 117 CD2 TYR A 9 2.539 2.739 1.935 1.00 3.21 C ATOM 118 CE1 TYR A 9 1.892 0.976 3.960 1.00 13.13 C ATOM 119 CE2 TYR A 9 3.524 1.959 2.515 1.00 72.31 C ATOM 120 CZ TYR A 9 3.197 1.081 3.527 1.00 3.31 C ATOM 121 OH TYR A 9 4.176 0.304 4.106 1.00 30.21 O ATOM 0 H TYR A 9 -1.666 3.601 3.683 1.00 21.53 H new ATOM 0 HA TYR A 9 0.603 5.301 2.797 1.00 1.42 H new ATOM 0 HB2 TYR A 9 -0.742 2.885 1.526 1.00 54.22 H new ATOM 0 HB3 TYR A 9 0.490 3.856 0.744 1.00 54.22 H new ATOM 0 HD1 TYR A 9 -0.109 1.671 3.721 1.00 1.24 H new ATOM 0 HD2 TYR A 9 2.802 3.426 1.144 1.00 3.21 H new ATOM 0 HE1 TYR A 9 1.637 0.287 4.751 1.00 13.13 H new ATOM 0 HE2 TYR A 9 4.546 2.038 2.176 1.00 72.31 H new ATOM 0 HH TYR A 9 5.040 0.499 3.685 1.00 30.21 H new ATOM 131 N ARG A 10 -0.786 6.246 0.695 1.00 11.53 N ATOM 132 CA ARG A 10 -1.641 7.125 -0.122 1.00 21.24 C ATOM 133 C ARG A 10 -1.193 7.177 -1.594 1.00 43.44 C ATOM 134 O ARG A 10 -0.066 7.562 -1.900 1.00 62.04 O ATOM 135 CB ARG A 10 -1.662 8.541 0.480 1.00 2.21 C ATOM 136 CG ARG A 10 -2.343 9.585 -0.404 1.00 32.13 C ATOM 137 CD ARG A 10 -2.667 10.861 0.368 1.00 74.42 C ATOM 138 NE ARG A 10 -3.752 10.651 1.331 1.00 41.40 N ATOM 139 CZ ARG A 10 -4.146 11.541 2.207 1.00 42.50 C ATOM 140 NH1 ARG A 10 -3.567 12.694 2.295 1.00 42.35 N ATOM 141 NH2 ARG A 10 -5.138 11.281 2.995 1.00 33.34 N ATOM 0 H ARG A 10 0.180 6.179 0.374 1.00 11.53 H new ATOM 0 HA ARG A 10 -2.647 6.706 -0.110 1.00 21.24 H new ATOM 0 HB2 ARG A 10 -2.172 8.507 1.443 1.00 2.21 H new ATOM 0 HB3 ARG A 10 -0.637 8.857 0.673 1.00 2.21 H new ATOM 0 HG2 ARG A 10 -1.695 9.825 -1.247 1.00 32.13 H new ATOM 0 HG3 ARG A 10 -3.261 9.168 -0.817 1.00 32.13 H new ATOM 0 HD2 ARG A 10 -1.776 11.205 0.893 1.00 74.42 H new ATOM 0 HD3 ARG A 10 -2.948 11.648 -0.332 1.00 74.42 H new ATOM 0 HE ARG A 10 -4.232 9.751 1.318 1.00 41.40 H new ATOM 0 HH11 ARG A 10 -2.789 12.923 1.676 1.00 42.35 H new ATOM 0 HH12 ARG A 10 -3.888 13.375 2.984 1.00 42.35 H new ATOM 0 HH21 ARG A 10 -5.615 10.381 2.935 1.00 33.34 H new ATOM 0 HH22 ARG A 10 -5.443 11.976 3.677 1.00 33.34 H new ATOM 155 N ALA A 11 -2.094 6.797 -2.498 1.00 32.12 N ATOM 156 CA ALA A 11 -1.821 6.800 -3.942 1.00 31.12 C ATOM 157 C ALA A 11 -1.960 8.204 -4.556 1.00 62.11 C ATOM 158 O ALA A 11 -2.723 9.042 -4.073 1.00 4.33 O ATOM 159 CB ALA A 11 -2.756 5.820 -4.648 1.00 62.31 C ATOM 0 H ALA A 11 -3.032 6.479 -2.256 1.00 32.12 H new ATOM 0 HA ALA A 11 -0.787 6.487 -4.083 1.00 31.12 H new ATOM 0 HB1 ALA A 11 -2.549 5.826 -5.718 1.00 62.31 H new ATOM 0 HB2 ALA A 11 -2.596 4.816 -4.254 1.00 62.31 H new ATOM 0 HB3 ALA A 11 -3.791 6.117 -4.477 1.00 62.31 H new ATOM 165 N LEU A 12 -1.212 8.459 -5.633 1.00 44.21 N ATOM 166 CA LEU A 12 -1.235 9.769 -6.303 1.00 1.21 C ATOM 167 C LEU A 12 -2.109 9.761 -7.572 1.00 45.22 C ATOM 168 O LEU A 12 -2.679 10.787 -7.950 1.00 12.03 O ATOM 169 CB LEU A 12 0.194 10.200 -6.658 1.00 23.43 C ATOM 170 CG LEU A 12 1.160 10.313 -5.467 1.00 2.15 C ATOM 171 CD1 LEU A 12 2.555 10.720 -5.935 1.00 23.20 C ATOM 172 CD2 LEU A 12 0.630 11.298 -4.424 1.00 64.40 C ATOM 0 H LEU A 12 -0.583 7.780 -6.061 1.00 44.21 H new ATOM 0 HA LEU A 12 -1.676 10.482 -5.607 1.00 1.21 H new ATOM 0 HB2 LEU A 12 0.605 9.486 -7.372 1.00 23.43 H new ATOM 0 HB3 LEU A 12 0.150 11.165 -7.162 1.00 23.43 H new ATOM 0 HG LEU A 12 1.232 9.331 -4.999 1.00 2.15 H new ATOM 0 HD11 LEU A 12 3.220 10.793 -5.075 1.00 23.20 H new ATOM 0 HD12 LEU A 12 2.939 9.971 -6.628 1.00 23.20 H new ATOM 0 HD13 LEU A 12 2.503 11.686 -6.437 1.00 23.20 H new ATOM 0 HD21 LEU A 12 1.332 11.360 -3.592 1.00 64.40 H new ATOM 0 HD22 LEU A 12 0.518 12.283 -4.878 1.00 64.40 H new ATOM 0 HD23 LEU A 12 -0.338 10.955 -4.058 1.00 64.40 H new ATOM 184 N TYR A 13 -2.211 8.605 -8.228 1.00 14.11 N ATOM 185 CA TYR A 13 -2.978 8.480 -9.479 1.00 43.12 C ATOM 186 C TYR A 13 -3.855 7.215 -9.474 1.00 13.23 C ATOM 187 O TYR A 13 -3.466 6.185 -8.925 1.00 73.51 O ATOM 188 CB TYR A 13 -2.024 8.454 -10.686 1.00 24.33 C ATOM 189 CG TYR A 13 -1.216 9.729 -10.852 1.00 43.44 C ATOM 190 CD1 TYR A 13 -1.782 10.859 -11.433 1.00 73.24 C ATOM 191 CD2 TYR A 13 0.105 9.808 -10.417 1.00 64.35 C ATOM 192 CE1 TYR A 13 -1.059 12.026 -11.576 1.00 32.01 C ATOM 193 CE2 TYR A 13 0.834 10.975 -10.560 1.00 73.31 C ATOM 194 CZ TYR A 13 0.247 12.081 -11.139 1.00 24.50 C ATOM 195 OH TYR A 13 0.964 13.248 -11.274 1.00 23.22 O ATOM 0 H TYR A 13 -1.773 7.738 -7.918 1.00 14.11 H new ATOM 0 HA TYR A 13 -3.634 9.347 -9.557 1.00 43.12 H new ATOM 0 HB2 TYR A 13 -1.340 7.612 -10.579 1.00 24.33 H new ATOM 0 HB3 TYR A 13 -2.604 8.281 -11.593 1.00 24.33 H new ATOM 0 HD1 TYR A 13 -2.805 10.823 -11.778 1.00 73.24 H new ATOM 0 HD2 TYR A 13 0.567 8.945 -9.961 1.00 64.35 H new ATOM 0 HE1 TYR A 13 -1.515 12.894 -12.029 1.00 32.01 H new ATOM 0 HE2 TYR A 13 1.858 11.020 -10.220 1.00 73.31 H new ATOM 0 HH TYR A 13 1.867 13.120 -10.916 1.00 23.22 H new ATOM 205 N PRO A 14 -5.056 7.276 -10.092 1.00 10.40 N ATOM 206 CA PRO A 14 -5.992 6.139 -10.114 1.00 52.44 C ATOM 207 C PRO A 14 -5.570 5.001 -11.064 1.00 32.15 C ATOM 208 O PRO A 14 -5.329 5.219 -12.255 1.00 22.13 O ATOM 209 CB PRO A 14 -7.306 6.773 -10.586 1.00 51.31 C ATOM 210 CG PRO A 14 -6.883 7.942 -11.415 1.00 60.21 C ATOM 211 CD PRO A 14 -5.601 8.455 -10.802 1.00 14.23 C ATOM 0 HA PRO A 14 -6.048 5.659 -9.137 1.00 52.44 H new ATOM 0 HB2 PRO A 14 -7.900 6.068 -11.168 1.00 51.31 H new ATOM 0 HB3 PRO A 14 -7.921 7.087 -9.742 1.00 51.31 H new ATOM 0 HG2 PRO A 14 -6.727 7.647 -12.453 1.00 60.21 H new ATOM 0 HG3 PRO A 14 -7.650 8.716 -11.416 1.00 60.21 H new ATOM 0 HD2 PRO A 14 -4.911 8.819 -11.563 1.00 14.23 H new ATOM 0 HD3 PRO A 14 -5.787 9.283 -10.119 1.00 14.23 H new ATOM 219 N PHE A 15 -5.493 3.785 -10.523 1.00 45.32 N ATOM 220 CA PHE A 15 -5.171 2.584 -11.311 1.00 45.13 C ATOM 221 C PHE A 15 -5.976 1.374 -10.810 1.00 13.42 C ATOM 222 O PHE A 15 -5.752 0.894 -9.701 1.00 62.52 O ATOM 223 CB PHE A 15 -3.668 2.255 -11.229 1.00 22.32 C ATOM 224 CG PHE A 15 -2.760 3.310 -11.814 1.00 43.52 C ATOM 225 CD1 PHE A 15 -2.633 3.451 -13.191 1.00 74.42 C ATOM 226 CD2 PHE A 15 -2.026 4.153 -10.991 1.00 3.22 C ATOM 227 CE1 PHE A 15 -1.796 4.410 -13.730 1.00 43.34 C ATOM 228 CE2 PHE A 15 -1.187 5.112 -11.526 1.00 10.31 C ATOM 229 CZ PHE A 15 -1.072 5.241 -12.896 1.00 75.15 C ATOM 0 H PHE A 15 -5.650 3.600 -9.532 1.00 45.32 H new ATOM 0 HA PHE A 15 -5.435 2.793 -12.348 1.00 45.13 H new ATOM 0 HB2 PHE A 15 -3.400 2.103 -10.184 1.00 22.32 H new ATOM 0 HB3 PHE A 15 -3.487 1.312 -11.745 1.00 22.32 H new ATOM 0 HD1 PHE A 15 -3.195 2.803 -13.848 1.00 74.42 H new ATOM 0 HD2 PHE A 15 -2.112 4.058 -9.919 1.00 3.22 H new ATOM 0 HE1 PHE A 15 -1.708 4.510 -14.802 1.00 43.34 H new ATOM 0 HE2 PHE A 15 -0.622 5.760 -10.873 1.00 10.31 H new ATOM 0 HZ PHE A 15 -0.417 5.990 -13.315 1.00 75.15 H new ATOM 367 N LEU A 23 -3.760 -3.708 -7.186 1.00 1.20 N ATOM 368 CA LEU A 23 -4.863 -3.221 -6.350 1.00 2.21 C ATOM 369 C LEU A 23 -5.403 -1.889 -6.898 1.00 3.34 C ATOM 370 O LEU A 23 -4.656 -1.098 -7.478 1.00 21.03 O ATOM 371 CB LEU A 23 -4.400 -3.045 -4.892 1.00 24.32 C ATOM 372 CG LEU A 23 -5.470 -2.514 -3.916 1.00 40.14 C ATOM 373 CD1 LEU A 23 -6.680 -3.450 -3.866 1.00 64.22 C ATOM 374 CD2 LEU A 23 -4.881 -2.327 -2.518 1.00 20.04 C ATOM 0 HA LEU A 23 -5.663 -3.961 -6.374 1.00 2.21 H new ATOM 0 HB2 LEU A 23 -4.042 -4.007 -4.524 1.00 24.32 H new ATOM 0 HB3 LEU A 23 -3.550 -2.363 -4.879 1.00 24.32 H new ATOM 0 HG LEU A 23 -5.806 -1.544 -4.282 1.00 40.14 H new ATOM 0 HD11 LEU A 23 -7.419 -3.052 -3.171 1.00 64.22 H new ATOM 0 HD12 LEU A 23 -7.121 -3.527 -4.860 1.00 64.22 H new ATOM 0 HD13 LEU A 23 -6.362 -4.438 -3.532 1.00 64.22 H new ATOM 0 HD21 LEU A 23 -5.652 -1.952 -1.845 1.00 20.04 H new ATOM 0 HD22 LEU A 23 -4.511 -3.283 -2.148 1.00 20.04 H new ATOM 0 HD23 LEU A 23 -4.059 -1.612 -2.562 1.00 20.04 H new ATOM 386 N GLU A 24 -6.701 -1.654 -6.718 1.00 1.22 N ATOM 387 CA GLU A 24 -7.352 -0.434 -7.209 1.00 43.14 C ATOM 388 C GLU A 24 -6.929 0.809 -6.402 1.00 12.42 C ATOM 389 O GLU A 24 -7.340 0.988 -5.256 1.00 1.40 O ATOM 390 CB GLU A 24 -8.877 -0.602 -7.156 1.00 62.52 C ATOM 391 CG GLU A 24 -9.378 -1.845 -7.887 1.00 74.30 C ATOM 392 CD GLU A 24 -10.893 -1.975 -7.866 1.00 62.04 C ATOM 393 OE1 GLU A 24 -11.446 -2.424 -6.839 1.00 70.34 O ATOM 394 OE2 GLU A 24 -11.536 -1.635 -8.879 1.00 31.41 O ATOM 0 H GLU A 24 -7.329 -2.295 -6.233 1.00 1.22 H new ATOM 0 HA GLU A 24 -7.034 -0.279 -8.240 1.00 43.14 H new ATOM 0 HB2 GLU A 24 -9.193 -0.651 -6.114 1.00 62.52 H new ATOM 0 HB3 GLU A 24 -9.347 0.280 -7.591 1.00 62.52 H new ATOM 0 HG2 GLU A 24 -9.036 -1.814 -8.921 1.00 74.30 H new ATOM 0 HG3 GLU A 24 -8.936 -2.731 -7.431 1.00 74.30 H new ATOM 401 N LEU A 25 -6.102 1.655 -7.014 1.00 21.32 N ATOM 402 CA LEU A 25 -5.611 2.883 -6.372 1.00 33.54 C ATOM 403 C LEU A 25 -6.398 4.121 -6.835 1.00 4.34 C ATOM 404 O LEU A 25 -6.813 4.204 -7.992 1.00 64.44 O ATOM 405 CB LEU A 25 -4.121 3.076 -6.687 1.00 33.13 C ATOM 406 CG LEU A 25 -3.192 1.953 -6.194 1.00 64.10 C ATOM 407 CD1 LEU A 25 -1.742 2.230 -6.589 1.00 70.34 C ATOM 408 CD2 LEU A 25 -3.322 1.775 -4.684 1.00 35.14 C ATOM 0 H LEU A 25 -5.753 1.514 -7.962 1.00 21.32 H new ATOM 0 HA LEU A 25 -5.754 2.774 -5.297 1.00 33.54 H new ATOM 0 HB2 LEU A 25 -4.005 3.173 -7.766 1.00 33.13 H new ATOM 0 HB3 LEU A 25 -3.792 4.017 -6.245 1.00 33.13 H new ATOM 0 HG LEU A 25 -3.496 1.023 -6.675 1.00 64.10 H new ATOM 0 HD11 LEU A 25 -1.106 1.421 -6.229 1.00 70.34 H new ATOM 0 HD12 LEU A 25 -1.667 2.295 -7.674 1.00 70.34 H new ATOM 0 HD13 LEU A 25 -1.418 3.172 -6.146 1.00 70.34 H new ATOM 0 HD21 LEU A 25 -2.658 0.977 -4.353 1.00 35.14 H new ATOM 0 HD22 LEU A 25 -3.050 2.704 -4.183 1.00 35.14 H new ATOM 0 HD23 LEU A 25 -4.351 1.517 -4.435 1.00 35.14 H new ATOM 420 N LEU A 26 -6.599 5.075 -5.923 1.00 32.15 N ATOM 421 CA LEU A 26 -7.312 6.332 -6.222 1.00 11.32 C ATOM 422 C LEU A 26 -6.436 7.559 -5.888 1.00 42.23 C ATOM 423 O LEU A 26 -5.529 7.477 -5.064 1.00 13.11 O ATOM 424 CB LEU A 26 -8.642 6.404 -5.436 1.00 43.11 C ATOM 425 CG LEU A 26 -9.826 5.585 -6.001 1.00 42.41 C ATOM 426 CD1 LEU A 26 -10.130 5.988 -7.443 1.00 63.05 C ATOM 427 CD2 LEU A 26 -9.566 4.082 -5.902 1.00 55.33 C ATOM 0 H LEU A 26 -6.276 5.004 -4.958 1.00 32.15 H new ATOM 0 HA LEU A 26 -7.531 6.344 -7.290 1.00 11.32 H new ATOM 0 HB2 LEU A 26 -8.453 6.070 -4.416 1.00 43.11 H new ATOM 0 HB3 LEU A 26 -8.947 7.449 -5.378 1.00 43.11 H new ATOM 0 HG LEU A 26 -10.701 5.811 -5.391 1.00 42.41 H new ATOM 0 HD11 LEU A 26 -10.966 5.398 -7.817 1.00 63.05 H new ATOM 0 HD12 LEU A 26 -10.388 7.046 -7.478 1.00 63.05 H new ATOM 0 HD13 LEU A 26 -9.252 5.808 -8.064 1.00 63.05 H new ATOM 0 HD21 LEU A 26 -10.419 3.538 -6.308 1.00 55.33 H new ATOM 0 HD22 LEU A 26 -8.670 3.830 -6.470 1.00 55.33 H new ATOM 0 HD23 LEU A 26 -9.423 3.805 -4.857 1.00 55.33 H new ATOM 439 N PRO A 27 -6.690 8.719 -6.530 1.00 14.24 N ATOM 440 CA PRO A 27 -5.911 9.945 -6.276 1.00 53.22 C ATOM 441 C PRO A 27 -6.191 10.560 -4.891 1.00 64.22 C ATOM 442 O PRO A 27 -7.264 11.114 -4.646 1.00 33.45 O ATOM 443 CB PRO A 27 -6.369 10.886 -7.399 1.00 4.13 C ATOM 444 CG PRO A 27 -7.751 10.431 -7.729 1.00 4.35 C ATOM 445 CD PRO A 27 -7.744 8.936 -7.544 1.00 74.04 C ATOM 0 HA PRO A 27 -4.838 9.753 -6.271 1.00 53.22 H new ATOM 0 HB2 PRO A 27 -6.361 11.926 -7.073 1.00 4.13 H new ATOM 0 HB3 PRO A 27 -5.712 10.819 -8.266 1.00 4.13 H new ATOM 0 HG2 PRO A 27 -8.485 10.903 -7.076 1.00 4.35 H new ATOM 0 HG3 PRO A 27 -8.017 10.698 -8.752 1.00 4.35 H new ATOM 0 HD2 PRO A 27 -8.712 8.569 -7.202 1.00 74.04 H new ATOM 0 HD3 PRO A 27 -7.518 8.417 -8.476 1.00 74.04 H new ATOM 453 N GLY A 28 -5.225 10.443 -3.981 1.00 50.12 N ATOM 454 CA GLY A 28 -5.374 11.011 -2.644 1.00 13.31 C ATOM 455 C GLY A 28 -6.202 10.134 -1.707 1.00 53.42 C ATOM 456 O GLY A 28 -7.031 10.632 -0.939 1.00 63.53 O ATOM 0 H GLY A 28 -4.339 9.964 -4.144 1.00 50.12 H new ATOM 0 HA2 GLY A 28 -4.386 11.165 -2.209 1.00 13.31 H new ATOM 0 HA3 GLY A 28 -5.843 11.992 -2.723 1.00 13.31 H new ATOM 460 N ASP A 29 -5.985 8.825 -1.772 1.00 53.30 N ATOM 461 CA ASP A 29 -6.688 7.870 -0.911 1.00 45.32 C ATOM 462 C ASP A 29 -5.819 7.440 0.285 1.00 50.31 C ATOM 463 O ASP A 29 -4.677 7.870 0.426 1.00 3.31 O ATOM 464 CB ASP A 29 -7.133 6.646 -1.728 1.00 64.40 C ATOM 465 CG ASP A 29 -5.989 5.887 -2.380 1.00 74.42 C ATOM 466 OD1 ASP A 29 -4.827 6.304 -2.237 1.00 75.33 O ATOM 467 OD2 ASP A 29 -6.261 4.865 -3.044 1.00 22.53 O ATOM 0 H ASP A 29 -5.322 8.394 -2.417 1.00 53.30 H new ATOM 0 HA ASP A 29 -7.572 8.366 -0.510 1.00 45.32 H new ATOM 0 HB2 ASP A 29 -7.681 5.966 -1.075 1.00 64.40 H new ATOM 0 HB3 ASP A 29 -7.827 6.972 -2.503 1.00 64.40 H new ATOM 472 N VAL A 30 -6.393 6.653 1.185 1.00 44.12 N ATOM 473 CA VAL A 30 -5.633 6.055 2.285 1.00 63.10 C ATOM 474 C VAL A 30 -5.699 4.521 2.221 1.00 2.52 C ATOM 475 O VAL A 30 -6.760 3.945 1.985 1.00 44.31 O ATOM 476 CB VAL A 30 -6.150 6.547 3.662 1.00 3.42 C ATOM 477 CG1 VAL A 30 -5.409 5.857 4.804 1.00 61.30 C ATOM 478 CG2 VAL A 30 -6.016 8.066 3.773 1.00 53.02 C ATOM 0 H VAL A 30 -7.384 6.411 1.179 1.00 44.12 H new ATOM 0 HA VAL A 30 -4.596 6.371 2.175 1.00 63.10 H new ATOM 0 HB VAL A 30 -7.205 6.286 3.740 1.00 3.42 H new ATOM 0 HG11 VAL A 30 -5.791 6.220 5.758 1.00 61.30 H new ATOM 0 HG12 VAL A 30 -5.562 4.780 4.739 1.00 61.30 H new ATOM 0 HG13 VAL A 30 -4.344 6.077 4.732 1.00 61.30 H new ATOM 0 HG21 VAL A 30 -6.384 8.394 4.745 1.00 53.02 H new ATOM 0 HG22 VAL A 30 -4.968 8.348 3.667 1.00 53.02 H new ATOM 0 HG23 VAL A 30 -6.601 8.541 2.985 1.00 53.02 H new ATOM 488 N LEU A 31 -4.558 3.863 2.398 1.00 14.25 N ATOM 489 CA LEU A 31 -4.508 2.396 2.407 1.00 0.32 C ATOM 490 C LEU A 31 -4.017 1.870 3.762 1.00 33.42 C ATOM 491 O LEU A 31 -2.920 2.205 4.204 1.00 54.43 O ATOM 492 CB LEU A 31 -3.601 1.863 1.284 1.00 60.10 C ATOM 493 CG LEU A 31 -4.064 2.167 -0.157 1.00 40.34 C ATOM 494 CD1 LEU A 31 -3.757 3.611 -0.546 1.00 54.31 C ATOM 495 CD2 LEU A 31 -3.425 1.193 -1.141 1.00 13.52 C ATOM 0 H LEU A 31 -3.655 4.316 2.537 1.00 14.25 H new ATOM 0 HA LEU A 31 -5.523 2.036 2.236 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.603 2.280 1.420 1.00 60.10 H new ATOM 0 HB3 LEU A 31 -3.513 0.782 1.396 1.00 60.10 H new ATOM 0 HG LEU A 31 -5.146 2.037 -0.196 1.00 40.34 H new ATOM 0 HD11 LEU A 31 -4.095 3.793 -1.566 1.00 54.31 H new ATOM 0 HD12 LEU A 31 -4.274 4.289 0.134 1.00 54.31 H new ATOM 0 HD13 LEU A 31 -2.683 3.784 -0.484 1.00 54.31 H new ATOM 0 HD21 LEU A 31 -3.763 1.423 -2.152 1.00 13.52 H new ATOM 0 HD22 LEU A 31 -2.340 1.285 -1.092 1.00 13.52 H new ATOM 0 HD23 LEU A 31 -3.715 0.174 -0.884 1.00 13.52 H new ATOM 507 N VAL A 32 -4.835 1.039 4.406 1.00 35.11 N ATOM 508 CA VAL A 32 -4.490 0.454 5.707 1.00 64.31 C ATOM 509 C VAL A 32 -3.824 -0.924 5.540 1.00 44.45 C ATOM 510 O VAL A 32 -4.462 -1.893 5.120 1.00 63.12 O ATOM 511 CB VAL A 32 -5.748 0.311 6.605 1.00 53.14 C ATOM 512 CG1 VAL A 32 -5.385 -0.278 7.969 1.00 33.51 C ATOM 513 CG2 VAL A 32 -6.454 1.659 6.764 1.00 11.55 C ATOM 0 H VAL A 32 -5.746 0.753 4.048 1.00 35.11 H new ATOM 0 HA VAL A 32 -3.784 1.132 6.187 1.00 64.31 H new ATOM 0 HB VAL A 32 -6.436 -0.379 6.116 1.00 53.14 H new ATOM 0 HG11 VAL A 32 -6.285 -0.367 8.578 1.00 33.51 H new ATOM 0 HG12 VAL A 32 -4.940 -1.264 7.833 1.00 33.51 H new ATOM 0 HG13 VAL A 32 -4.672 0.376 8.470 1.00 33.51 H new ATOM 0 HG21 VAL A 32 -7.333 1.537 7.397 1.00 11.55 H new ATOM 0 HG22 VAL A 32 -5.772 2.375 7.224 1.00 11.55 H new ATOM 0 HG23 VAL A 32 -6.760 2.027 5.785 1.00 11.55 H new ATOM 523 N VAL A 33 -2.533 -1.001 5.856 1.00 11.43 N ATOM 524 CA VAL A 33 -1.775 -2.254 5.742 1.00 20.45 C ATOM 525 C VAL A 33 -1.374 -2.798 7.122 1.00 31.41 C ATOM 526 O VAL A 33 -0.652 -2.138 7.869 1.00 52.03 O ATOM 527 CB VAL A 33 -0.497 -2.054 4.887 1.00 31.03 C ATOM 528 CG1 VAL A 33 0.257 -3.372 4.709 1.00 41.32 C ATOM 529 CG2 VAL A 33 -0.846 -1.439 3.534 1.00 52.13 C ATOM 0 H VAL A 33 -1.985 -0.210 6.194 1.00 11.43 H new ATOM 0 HA VAL A 33 -2.430 -2.976 5.254 1.00 20.45 H new ATOM 0 HB VAL A 33 0.160 -1.364 5.417 1.00 31.03 H new ATOM 0 HG11 VAL A 33 1.149 -3.202 4.106 1.00 41.32 H new ATOM 0 HG12 VAL A 33 0.548 -3.760 5.685 1.00 41.32 H new ATOM 0 HG13 VAL A 33 -0.387 -4.095 4.209 1.00 41.32 H new ATOM 0 HG21 VAL A 33 0.064 -1.307 2.949 1.00 52.13 H new ATOM 0 HG22 VAL A 33 -1.528 -2.100 2.999 1.00 52.13 H new ATOM 0 HG23 VAL A 33 -1.323 -0.471 3.687 1.00 52.13 H new ATOM 539 N SER A 34 -1.842 -4.004 7.452 1.00 61.34 N ATOM 540 CA SER A 34 -1.510 -4.642 8.737 1.00 43.05 C ATOM 541 C SER A 34 0.009 -4.817 8.891 1.00 62.02 C ATOM 542 O SER A 34 0.664 -5.385 8.016 1.00 41.35 O ATOM 543 CB SER A 34 -2.192 -6.015 8.856 1.00 64.02 C ATOM 544 OG SER A 34 -3.606 -5.914 8.755 1.00 22.32 O ATOM 0 H SER A 34 -2.451 -4.561 6.852 1.00 61.34 H new ATOM 0 HA SER A 34 -1.874 -3.988 9.529 1.00 43.05 H new ATOM 0 HB2 SER A 34 -1.818 -6.675 8.073 1.00 64.02 H new ATOM 0 HB3 SER A 34 -1.928 -6.470 9.810 1.00 64.02 H new ATOM 0 HG SER A 34 -4.004 -6.806 8.833 1.00 22.32 H new ATOM 550 N ARG A 35 0.563 -4.333 10.005 1.00 42.21 N ATOM 551 CA ARG A 35 2.011 -4.424 10.257 1.00 71.23 C ATOM 552 C ARG A 35 2.529 -5.859 10.098 1.00 53.45 C ATOM 553 O ARG A 35 3.640 -6.077 9.616 1.00 40.04 O ATOM 554 CB ARG A 35 2.349 -3.888 11.655 1.00 63.21 C ATOM 555 CG ARG A 35 3.842 -3.906 11.976 1.00 54.01 C ATOM 556 CD ARG A 35 4.147 -3.181 13.282 1.00 51.01 C ATOM 557 NE ARG A 35 3.395 -3.726 14.414 1.00 43.14 N ATOM 558 CZ ARG A 35 2.807 -2.997 15.327 1.00 62.22 C ATOM 559 NH1 ARG A 35 2.873 -1.704 15.281 1.00 21.14 N ATOM 560 NH2 ARG A 35 2.167 -3.560 16.297 1.00 63.43 N ATOM 0 H ARG A 35 0.036 -3.874 10.748 1.00 42.21 H new ATOM 0 HA ARG A 35 2.511 -3.808 9.510 1.00 71.23 H new ATOM 0 HB2 ARG A 35 1.980 -2.866 11.741 1.00 63.21 H new ATOM 0 HB3 ARG A 35 1.819 -4.482 12.400 1.00 63.21 H new ATOM 0 HG2 ARG A 35 4.187 -4.938 12.043 1.00 54.01 H new ATOM 0 HG3 ARG A 35 4.395 -3.437 11.162 1.00 54.01 H new ATOM 0 HD2 ARG A 35 5.214 -3.250 13.492 1.00 51.01 H new ATOM 0 HD3 ARG A 35 3.912 -2.122 13.170 1.00 51.01 H new ATOM 0 HE ARG A 35 3.325 -4.740 14.496 1.00 43.14 H new ATOM 0 HH11 ARG A 35 3.387 -1.246 14.528 1.00 21.14 H new ATOM 0 HH12 ARG A 35 2.411 -1.144 15.998 1.00 21.14 H new ATOM 0 HH21 ARG A 35 2.119 -4.577 16.353 1.00 63.43 H new ATOM 0 HH22 ARG A 35 1.710 -2.987 17.007 1.00 63.43 H new ATOM 574 N ALA A 36 1.713 -6.833 10.494 1.00 51.24 N ATOM 575 CA ALA A 36 2.054 -8.251 10.330 1.00 34.12 C ATOM 576 C ALA A 36 2.445 -8.581 8.877 1.00 44.11 C ATOM 577 O ALA A 36 3.420 -9.292 8.634 1.00 44.52 O ATOM 578 CB ALA A 36 0.889 -9.122 10.778 1.00 34.34 C ATOM 0 H ALA A 36 0.807 -6.669 10.933 1.00 51.24 H new ATOM 0 HA ALA A 36 2.921 -8.460 10.956 1.00 34.12 H new ATOM 0 HB1 ALA A 36 1.151 -10.173 10.653 1.00 34.34 H new ATOM 0 HB2 ALA A 36 0.670 -8.925 11.828 1.00 34.34 H new ATOM 0 HB3 ALA A 36 0.010 -8.893 10.175 1.00 34.34 H new ATOM 584 N ALA A 37 1.682 -8.049 7.919 1.00 54.43 N ATOM 585 CA ALA A 37 1.975 -8.235 6.491 1.00 52.44 C ATOM 586 C ALA A 37 3.369 -7.693 6.137 1.00 2.43 C ATOM 587 O ALA A 37 4.144 -8.347 5.440 1.00 60.52 O ATOM 588 CB ALA A 37 0.906 -7.555 5.640 1.00 64.25 C ATOM 0 H ALA A 37 0.853 -7.484 8.105 1.00 54.43 H new ATOM 0 HA ALA A 37 1.967 -9.304 6.279 1.00 52.44 H new ATOM 0 HB1 ALA A 37 1.135 -7.700 4.584 1.00 64.25 H new ATOM 0 HB2 ALA A 37 -0.068 -7.990 5.863 1.00 64.25 H new ATOM 0 HB3 ALA A 37 0.887 -6.488 5.864 1.00 64.25 H new ATOM 594 N LEU A 38 3.686 -6.501 6.645 1.00 13.52 N ATOM 595 CA LEU A 38 5.000 -5.884 6.421 1.00 10.03 C ATOM 596 C LEU A 38 6.120 -6.741 7.033 1.00 24.33 C ATOM 597 O LEU A 38 7.149 -6.985 6.399 1.00 72.42 O ATOM 598 CB LEU A 38 5.030 -4.469 7.016 1.00 42.51 C ATOM 599 CG LEU A 38 3.988 -3.494 6.440 1.00 43.34 C ATOM 600 CD1 LEU A 38 4.055 -2.145 7.153 1.00 21.25 C ATOM 601 CD2 LEU A 38 4.181 -3.323 4.933 1.00 4.44 C ATOM 0 H LEU A 38 3.052 -5.941 7.215 1.00 13.52 H new ATOM 0 HA LEU A 38 5.168 -5.820 5.346 1.00 10.03 H new ATOM 0 HB2 LEU A 38 4.880 -4.542 8.093 1.00 42.51 H new ATOM 0 HB3 LEU A 38 6.023 -4.048 6.861 1.00 42.51 H new ATOM 0 HG LEU A 38 2.998 -3.917 6.609 1.00 43.34 H new ATOM 0 HD11 LEU A 38 3.310 -1.472 6.729 1.00 21.25 H new ATOM 0 HD12 LEU A 38 3.855 -2.285 8.215 1.00 21.25 H new ATOM 0 HD13 LEU A 38 5.048 -1.714 7.024 1.00 21.25 H new ATOM 0 HD21 LEU A 38 3.434 -2.630 4.547 1.00 4.44 H new ATOM 0 HD22 LEU A 38 5.178 -2.929 4.736 1.00 4.44 H new ATOM 0 HD23 LEU A 38 4.069 -4.289 4.440 1.00 4.44 H new ATOM 613 N GLN A 39 5.899 -7.209 8.261 1.00 70.33 N ATOM 614 CA GLN A 39 6.859 -8.075 8.955 1.00 4.12 C ATOM 615 C GLN A 39 7.001 -9.438 8.252 1.00 55.42 C ATOM 616 O GLN A 39 8.016 -10.120 8.401 1.00 13.54 O ATOM 617 CB GLN A 39 6.428 -8.269 10.415 1.00 32.43 C ATOM 618 CG GLN A 39 6.364 -6.964 11.209 1.00 5.13 C ATOM 619 CD GLN A 39 7.721 -6.293 11.350 1.00 22.44 C ATOM 620 OE1 GLN A 39 8.134 -5.508 10.505 1.00 62.41 O ATOM 621 NE2 GLN A 39 8.423 -6.593 12.424 1.00 40.54 N ATOM 0 H GLN A 39 5.059 -7.003 8.801 1.00 70.33 H new ATOM 0 HA GLN A 39 7.834 -7.588 8.930 1.00 4.12 H new ATOM 0 HB2 GLN A 39 5.448 -8.747 10.436 1.00 32.43 H new ATOM 0 HB3 GLN A 39 7.125 -8.949 10.904 1.00 32.43 H new ATOM 0 HG2 GLN A 39 5.674 -6.278 10.717 1.00 5.13 H new ATOM 0 HG3 GLN A 39 5.959 -7.167 12.201 1.00 5.13 H new ATOM 0 HE21 GLN A 39 8.051 -7.251 13.109 1.00 40.54 H new ATOM 0 HE22 GLN A 39 9.338 -6.168 12.570 1.00 40.54 H new ATOM 630 N ALA A 40 5.974 -9.836 7.500 1.00 63.41 N ATOM 631 CA ALA A 40 6.038 -11.048 6.671 1.00 53.15 C ATOM 632 C ALA A 40 6.885 -10.806 5.411 1.00 34.45 C ATOM 633 O ALA A 40 7.687 -11.654 5.009 1.00 43.21 O ATOM 634 CB ALA A 40 4.632 -11.506 6.296 1.00 52.22 C ATOM 0 H ALA A 40 5.085 -9.338 7.446 1.00 63.41 H new ATOM 0 HA ALA A 40 6.517 -11.837 7.251 1.00 53.15 H new ATOM 0 HB1 ALA A 40 4.694 -12.405 5.682 1.00 52.22 H new ATOM 0 HB2 ALA A 40 4.066 -11.724 7.202 1.00 52.22 H new ATOM 0 HB3 ALA A 40 4.130 -10.717 5.736 1.00 52.22 H new ATOM 640 N LEU A 41 6.699 -9.638 4.797 1.00 22.53 N ATOM 641 CA LEU A 41 7.487 -9.232 3.625 1.00 55.30 C ATOM 642 C LEU A 41 8.955 -8.967 4.000 1.00 1.51 C ATOM 643 O LEU A 41 9.861 -9.119 3.175 1.00 13.23 O ATOM 644 CB LEU A 41 6.882 -7.964 3.003 1.00 74.41 C ATOM 645 CG LEU A 41 5.415 -8.076 2.555 1.00 73.41 C ATOM 646 CD1 LEU A 41 4.869 -6.713 2.153 1.00 15.21 C ATOM 647 CD2 LEU A 41 5.269 -9.069 1.405 1.00 2.30 C ATOM 0 H LEU A 41 6.006 -8.950 5.091 1.00 22.53 H new ATOM 0 HA LEU A 41 7.459 -10.049 2.904 1.00 55.30 H new ATOM 0 HB2 LEU A 41 6.961 -7.153 3.727 1.00 74.41 H new ATOM 0 HB3 LEU A 41 7.486 -7.681 2.141 1.00 74.41 H new ATOM 0 HG LEU A 41 4.834 -8.446 3.400 1.00 73.41 H new ATOM 0 HD11 LEU A 41 3.830 -6.815 1.840 1.00 15.21 H new ATOM 0 HD12 LEU A 41 4.926 -6.033 3.003 1.00 15.21 H new ATOM 0 HD13 LEU A 41 5.459 -6.313 1.328 1.00 15.21 H new ATOM 0 HD21 LEU A 41 4.222 -9.130 1.107 1.00 2.30 H new ATOM 0 HD22 LEU A 41 5.869 -8.735 0.558 1.00 2.30 H new ATOM 0 HD23 LEU A 41 5.612 -10.052 1.727 1.00 2.30 H new ATOM 659 N GLY A 42 9.180 -8.562 5.251 1.00 21.33 N ATOM 660 CA GLY A 42 10.528 -8.245 5.718 1.00 60.53 C ATOM 661 C GLY A 42 10.815 -6.745 5.749 1.00 13.43 C ATOM 662 O GLY A 42 11.974 -6.324 5.697 1.00 25.00 O ATOM 0 H GLY A 42 8.450 -8.447 5.954 1.00 21.33 H new ATOM 0 HA2 GLY A 42 10.665 -8.656 6.718 1.00 60.53 H new ATOM 0 HA3 GLY A 42 11.255 -8.734 5.070 1.00 60.53 H new ATOM 666 N VAL A 43 9.758 -5.937 5.842 1.00 41.41 N ATOM 667 CA VAL A 43 9.895 -4.478 5.877 1.00 71.20 C ATOM 668 C VAL A 43 10.351 -3.997 7.264 1.00 10.44 C ATOM 669 O VAL A 43 9.555 -3.905 8.196 1.00 73.12 O ATOM 670 CB VAL A 43 8.564 -3.778 5.501 1.00 2.24 C ATOM 671 CG1 VAL A 43 8.736 -2.258 5.465 1.00 72.50 C ATOM 672 CG2 VAL A 43 8.038 -4.303 4.162 1.00 24.22 C ATOM 0 H VAL A 43 8.795 -6.268 5.895 1.00 41.41 H new ATOM 0 HA VAL A 43 10.654 -4.211 5.141 1.00 71.20 H new ATOM 0 HB VAL A 43 7.828 -4.011 6.270 1.00 2.24 H new ATOM 0 HG11 VAL A 43 7.788 -1.791 5.199 1.00 72.50 H new ATOM 0 HG12 VAL A 43 9.052 -1.904 6.446 1.00 72.50 H new ATOM 0 HG13 VAL A 43 9.491 -1.995 4.724 1.00 72.50 H new ATOM 0 HG21 VAL A 43 7.103 -3.799 3.916 1.00 24.22 H new ATOM 0 HG22 VAL A 43 8.772 -4.107 3.381 1.00 24.22 H new ATOM 0 HG23 VAL A 43 7.863 -5.376 4.235 1.00 24.22 H new ATOM 682 N ALA A 44 11.642 -3.703 7.389 1.00 4.32 N ATOM 683 CA ALA A 44 12.217 -3.253 8.663 1.00 14.12 C ATOM 684 C ALA A 44 11.874 -1.784 8.967 1.00 15.03 C ATOM 685 O ALA A 44 11.712 -0.968 8.052 1.00 31.42 O ATOM 686 CB ALA A 44 13.729 -3.448 8.653 1.00 3.40 C ATOM 0 H ALA A 44 12.315 -3.767 6.625 1.00 4.32 H new ATOM 0 HA ALA A 44 11.776 -3.861 9.453 1.00 14.12 H new ATOM 0 HB1 ALA A 44 14.146 -3.111 9.602 1.00 3.40 H new ATOM 0 HB2 ALA A 44 13.959 -4.504 8.510 1.00 3.40 H new ATOM 0 HB3 ALA A 44 14.165 -2.869 7.839 1.00 3.40 H new ATOM 692 N GLU A 45 11.777 -1.457 10.260 1.00 52.00 N ATOM 693 CA GLU A 45 11.494 -0.087 10.715 1.00 3.45 C ATOM 694 C GLU A 45 12.360 0.946 9.973 1.00 63.34 C ATOM 695 O GLU A 45 13.584 0.805 9.882 1.00 44.15 O ATOM 696 CB GLU A 45 11.734 0.020 12.227 1.00 72.11 C ATOM 697 CG GLU A 45 11.378 1.378 12.823 1.00 70.34 C ATOM 698 CD GLU A 45 11.687 1.464 14.310 1.00 64.20 C ATOM 699 OE1 GLU A 45 10.879 0.968 15.123 1.00 74.31 O ATOM 700 OE2 GLU A 45 12.740 2.028 14.676 1.00 23.23 O ATOM 0 H GLU A 45 11.891 -2.129 11.019 1.00 52.00 H new ATOM 0 HA GLU A 45 10.449 0.131 10.493 1.00 3.45 H new ATOM 0 HB2 GLU A 45 11.150 -0.750 12.731 1.00 72.11 H new ATOM 0 HB3 GLU A 45 12.784 -0.190 12.433 1.00 72.11 H new ATOM 0 HG2 GLU A 45 11.928 2.157 12.296 1.00 70.34 H new ATOM 0 HG3 GLU A 45 10.317 1.573 12.664 1.00 70.34 H new ATOM 707 N GLY A 46 11.715 1.983 9.448 1.00 2.41 N ATOM 708 CA GLY A 46 12.403 2.958 8.607 1.00 64.45 C ATOM 709 C GLY A 46 12.106 2.749 7.126 1.00 1.33 C ATOM 710 O GLY A 46 11.722 3.688 6.424 1.00 54.01 O ATOM 0 H GLY A 46 10.722 2.170 9.589 1.00 2.41 H new ATOM 0 HA2 GLY A 46 12.101 3.964 8.898 1.00 64.45 H new ATOM 0 HA3 GLY A 46 13.478 2.886 8.774 1.00 64.45 H new ATOM 714 N GLY A 47 12.261 1.508 6.659 1.00 50.05 N ATOM 715 CA GLY A 47 11.939 1.173 5.271 1.00 51.24 C ATOM 716 C GLY A 47 10.457 1.358 4.961 1.00 31.11 C ATOM 717 O GLY A 47 10.061 1.510 3.805 1.00 55.11 O ATOM 0 H GLY A 47 12.604 0.725 7.216 1.00 50.05 H new ATOM 0 HA2 GLY A 47 12.529 1.799 4.602 1.00 51.24 H new ATOM 0 HA3 GLY A 47 12.223 0.139 5.073 1.00 51.24 H new ATOM 721 N GLU A 48 9.645 1.332 6.015 1.00 63.51 N ATOM 722 CA GLU A 48 8.206 1.624 5.936 1.00 1.20 C ATOM 723 C GLU A 48 7.937 2.964 5.226 1.00 31.14 C ATOM 724 O GLU A 48 6.924 3.135 4.553 1.00 33.02 O ATOM 725 CB GLU A 48 7.635 1.667 7.362 1.00 24.40 C ATOM 726 CG GLU A 48 8.253 2.773 8.220 1.00 1.04 C ATOM 727 CD GLU A 48 7.988 2.617 9.708 1.00 41.43 C ATOM 728 OE1 GLU A 48 6.872 2.941 10.160 1.00 63.42 O ATOM 729 OE2 GLU A 48 8.916 2.199 10.436 1.00 52.30 O ATOM 0 H GLU A 48 9.964 1.107 6.957 1.00 63.51 H new ATOM 0 HA GLU A 48 7.722 0.841 5.353 1.00 1.20 H new ATOM 0 HB2 GLU A 48 6.556 1.814 7.311 1.00 24.40 H new ATOM 0 HB3 GLU A 48 7.803 0.704 7.844 1.00 24.40 H new ATOM 0 HG2 GLU A 48 9.330 2.791 8.052 1.00 1.04 H new ATOM 0 HG3 GLU A 48 7.863 3.736 7.890 1.00 1.04 H new ATOM 736 N ARG A 49 8.872 3.908 5.371 1.00 15.12 N ATOM 737 CA ARG A 49 8.732 5.248 4.787 1.00 10.34 C ATOM 738 C ARG A 49 9.223 5.283 3.330 1.00 74.22 C ATOM 739 O ARG A 49 9.294 6.346 2.715 1.00 33.14 O ATOM 740 CB ARG A 49 9.510 6.270 5.630 1.00 22.45 C ATOM 741 CG ARG A 49 9.101 6.292 7.103 1.00 11.33 C ATOM 742 CD ARG A 49 9.901 7.314 7.907 1.00 41.50 C ATOM 743 NE ARG A 49 11.344 7.084 7.819 1.00 62.03 N ATOM 744 CZ ARG A 49 12.193 7.366 8.772 1.00 10.44 C ATOM 745 NH1 ARG A 49 11.785 7.841 9.904 1.00 55.12 N ATOM 746 NH2 ARG A 49 13.453 7.162 8.584 1.00 75.24 N ATOM 0 H ARG A 49 9.739 3.769 5.890 1.00 15.12 H new ATOM 0 HA ARG A 49 7.673 5.506 4.788 1.00 10.34 H new ATOM 0 HB2 ARG A 49 10.575 6.048 5.561 1.00 22.45 H new ATOM 0 HB3 ARG A 49 9.363 7.264 5.207 1.00 22.45 H new ATOM 0 HG2 ARG A 49 8.038 6.522 7.180 1.00 11.33 H new ATOM 0 HG3 ARG A 49 9.244 5.301 7.533 1.00 11.33 H new ATOM 0 HD2 ARG A 49 9.672 8.317 7.546 1.00 41.50 H new ATOM 0 HD3 ARG A 49 9.592 7.274 8.951 1.00 41.50 H new ATOM 0 HE ARG A 49 11.711 6.677 6.958 1.00 62.03 H new ATOM 0 HH11 ARG A 49 10.790 8.000 10.061 1.00 55.12 H new ATOM 0 HH12 ARG A 49 12.458 8.057 10.639 1.00 55.12 H new ATOM 0 HH21 ARG A 49 13.781 6.783 7.696 1.00 75.24 H new ATOM 0 HH22 ARG A 49 14.121 7.380 9.324 1.00 75.24 H new ATOM 760 N CYS A 50 9.548 4.113 2.786 1.00 63.34 N ATOM 761 CA CYS A 50 10.044 4.004 1.407 1.00 60.01 C ATOM 762 C CYS A 50 9.569 2.690 0.753 1.00 62.42 C ATOM 763 O CYS A 50 10.369 1.792 0.476 1.00 5.21 O ATOM 764 CB CYS A 50 11.579 4.085 1.392 1.00 31.52 C ATOM 765 SG CYS A 50 12.308 4.122 -0.263 1.00 74.40 S ATOM 0 H CYS A 50 9.478 3.222 3.277 1.00 63.34 H new ATOM 0 HA CYS A 50 9.639 4.835 0.829 1.00 60.01 H new ATOM 0 HB2 CYS A 50 11.889 4.979 1.933 1.00 31.52 H new ATOM 0 HB3 CYS A 50 11.981 3.229 1.934 1.00 31.52 H new ATOM 0 HG CYS A 50 13.602 4.192 -0.166 1.00 74.40 H new ATOM 771 N PRO A 51 8.247 2.565 0.484 1.00 4.23 N ATOM 772 CA PRO A 51 7.647 1.322 -0.052 1.00 31.14 C ATOM 773 C PRO A 51 8.164 0.953 -1.452 1.00 23.12 C ATOM 774 O PRO A 51 7.992 -0.178 -1.916 1.00 63.32 O ATOM 775 CB PRO A 51 6.142 1.638 -0.095 1.00 11.42 C ATOM 776 CG PRO A 51 6.066 3.127 -0.142 1.00 51.02 C ATOM 777 CD PRO A 51 7.229 3.620 0.675 1.00 54.44 C ATOM 0 HA PRO A 51 7.901 0.460 0.565 1.00 31.14 H new ATOM 0 HB2 PRO A 51 5.669 1.190 -0.969 1.00 11.42 H new ATOM 0 HB3 PRO A 51 5.630 1.243 0.782 1.00 11.42 H new ATOM 0 HG2 PRO A 51 6.127 3.490 -1.168 1.00 51.02 H new ATOM 0 HG3 PRO A 51 5.121 3.484 0.267 1.00 51.02 H new ATOM 0 HD2 PRO A 51 7.584 4.590 0.326 1.00 54.44 H new ATOM 0 HD3 PRO A 51 6.962 3.737 1.725 1.00 54.44 H new ATOM 785 N GLN A 52 8.808 1.912 -2.117 1.00 23.30 N ATOM 786 CA GLN A 52 9.365 1.700 -3.458 1.00 15.34 C ATOM 787 C GLN A 52 10.433 0.592 -3.467 1.00 12.12 C ATOM 788 O GLN A 52 10.755 0.040 -4.519 1.00 32.31 O ATOM 789 CB GLN A 52 9.974 3.007 -3.987 1.00 53.24 C ATOM 790 CG GLN A 52 11.153 3.509 -3.160 1.00 3.23 C ATOM 791 CD GLN A 52 11.766 4.782 -3.717 1.00 14.12 C ATOM 792 OE1 GLN A 52 11.378 5.887 -3.346 1.00 35.23 O ATOM 793 NE2 GLN A 52 12.728 4.641 -4.608 1.00 12.34 N ATOM 0 H GLN A 52 8.959 2.851 -1.748 1.00 23.30 H new ATOM 0 HA GLN A 52 8.548 1.383 -4.106 1.00 15.34 H new ATOM 0 HB2 GLN A 52 10.301 2.856 -5.016 1.00 53.24 H new ATOM 0 HB3 GLN A 52 9.202 3.776 -4.008 1.00 53.24 H new ATOM 0 HG2 GLN A 52 10.823 3.688 -2.137 1.00 3.23 H new ATOM 0 HG3 GLN A 52 11.917 2.733 -3.117 1.00 3.23 H new ATOM 0 HE21 GLN A 52 13.026 3.708 -4.894 1.00 12.34 H new ATOM 0 HE22 GLN A 52 13.174 5.465 -5.011 1.00 12.34 H new ATOM 802 N SER A 53 10.983 0.282 -2.290 1.00 31.42 N ATOM 803 CA SER A 53 12.031 -0.744 -2.163 1.00 21.13 C ATOM 804 C SER A 53 11.453 -2.169 -2.108 1.00 74.44 C ATOM 805 O SER A 53 12.195 -3.148 -2.213 1.00 20.33 O ATOM 806 CB SER A 53 12.878 -0.493 -0.906 1.00 32.44 C ATOM 807 OG SER A 53 13.916 -1.459 -0.775 1.00 21.00 O ATOM 0 H SER A 53 10.722 0.725 -1.409 1.00 31.42 H new ATOM 0 HA SER A 53 12.654 -0.668 -3.054 1.00 21.13 H new ATOM 0 HB2 SER A 53 13.313 0.506 -0.952 1.00 32.44 H new ATOM 0 HB3 SER A 53 12.239 -0.522 -0.023 1.00 32.44 H new ATOM 0 HG SER A 53 13.693 -2.253 -1.304 1.00 21.00 H new ATOM 813 N VAL A 54 10.138 -2.285 -1.929 1.00 5.41 N ATOM 814 CA VAL A 54 9.483 -3.600 -1.842 1.00 25.55 C ATOM 815 C VAL A 54 8.791 -3.980 -3.161 1.00 73.24 C ATOM 816 O VAL A 54 9.102 -5.004 -3.771 1.00 25.02 O ATOM 817 CB VAL A 54 8.439 -3.632 -0.696 1.00 63.23 C ATOM 818 CG1 VAL A 54 7.788 -5.012 -0.583 1.00 63.11 C ATOM 819 CG2 VAL A 54 9.078 -3.224 0.631 1.00 14.52 C ATOM 0 H VAL A 54 9.503 -1.491 -1.841 1.00 5.41 H new ATOM 0 HA VAL A 54 10.270 -4.326 -1.635 1.00 25.55 H new ATOM 0 HB VAL A 54 7.657 -2.911 -0.934 1.00 63.23 H new ATOM 0 HG11 VAL A 54 7.060 -5.006 0.228 1.00 63.11 H new ATOM 0 HG12 VAL A 54 7.285 -5.255 -1.519 1.00 63.11 H new ATOM 0 HG13 VAL A 54 8.554 -5.760 -0.378 1.00 63.11 H new ATOM 0 HG21 VAL A 54 8.327 -3.254 1.421 1.00 14.52 H new ATOM 0 HG22 VAL A 54 9.886 -3.914 0.873 1.00 14.52 H new ATOM 0 HG23 VAL A 54 9.477 -2.213 0.547 1.00 14.52 H new ATOM 829 N GLY A 55 7.847 -3.151 -3.601 1.00 22.44 N ATOM 830 CA GLY A 55 7.123 -3.423 -4.841 1.00 63.52 C ATOM 831 C GLY A 55 5.627 -3.613 -4.628 1.00 74.33 C ATOM 832 O GLY A 55 4.849 -2.680 -4.823 1.00 64.14 O ATOM 0 H GLY A 55 7.567 -2.294 -3.124 1.00 22.44 H new ATOM 0 HA2 GLY A 55 7.283 -2.600 -5.537 1.00 63.52 H new ATOM 0 HA3 GLY A 55 7.535 -4.319 -5.306 1.00 63.52 H new ATOM 836 N TRP A 56 5.218 -4.817 -4.224 1.00 11.33 N ATOM 837 CA TRP A 56 3.793 -5.125 -4.015 1.00 50.12 C ATOM 838 C TRP A 56 3.506 -5.520 -2.556 1.00 33.44 C ATOM 839 O TRP A 56 4.023 -6.527 -2.066 1.00 32.44 O ATOM 840 CB TRP A 56 3.344 -6.270 -4.935 1.00 34.53 C ATOM 841 CG TRP A 56 3.618 -6.033 -6.390 1.00 24.41 C ATOM 842 CD1 TRP A 56 3.308 -4.920 -7.118 1.00 3.25 C ATOM 843 CD2 TRP A 56 4.242 -6.947 -7.300 1.00 63.33 C ATOM 844 NE1 TRP A 56 3.718 -5.080 -8.418 1.00 1.44 N ATOM 845 CE2 TRP A 56 4.290 -6.317 -8.556 1.00 22.31 C ATOM 846 CE3 TRP A 56 4.771 -8.233 -7.169 1.00 64.22 C ATOM 847 CZ2 TRP A 56 4.845 -6.931 -9.677 1.00 3.13 C ATOM 848 CZ3 TRP A 56 5.317 -8.845 -8.282 1.00 54.43 C ATOM 849 CH2 TRP A 56 5.354 -8.192 -9.522 1.00 74.41 C ATOM 0 H TRP A 56 5.848 -5.596 -4.034 1.00 11.33 H new ATOM 0 HA TRP A 56 3.235 -4.219 -4.252 1.00 50.12 H new ATOM 0 HB2 TRP A 56 3.846 -7.187 -4.627 1.00 34.53 H new ATOM 0 HB3 TRP A 56 2.275 -6.432 -4.800 1.00 34.53 H new ATOM 0 HD1 TRP A 56 2.813 -4.043 -6.728 1.00 3.25 H new ATOM 0 HE1 TRP A 56 3.614 -4.389 -9.161 1.00 1.44 H new ATOM 0 HE3 TRP A 56 4.754 -8.740 -6.216 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 4.873 -6.430 -10.633 1.00 3.13 H new ATOM 0 HZ3 TRP A 56 5.722 -9.843 -8.195 1.00 54.43 H new ATOM 0 HH2 TRP A 56 5.793 -8.694 -10.372 1.00 74.41 H new ATOM 860 N MET A 57 2.676 -4.733 -1.874 1.00 11.43 N ATOM 861 CA MET A 57 2.276 -5.044 -0.495 1.00 62.24 C ATOM 862 C MET A 57 0.745 -5.199 -0.384 1.00 64.42 C ATOM 863 O MET A 57 -0.004 -4.428 -0.988 1.00 42.42 O ATOM 864 CB MET A 57 2.754 -3.947 0.470 1.00 13.43 C ATOM 865 CG MET A 57 4.256 -3.677 0.424 1.00 25.34 C ATOM 866 SD MET A 57 4.790 -2.890 -1.109 1.00 1.22 S ATOM 867 CE MET A 57 3.841 -1.372 -1.055 1.00 34.35 C ATOM 0 H MET A 57 2.266 -3.877 -2.249 1.00 11.43 H new ATOM 0 HA MET A 57 2.745 -5.989 -0.221 1.00 62.24 H new ATOM 0 HB2 MET A 57 2.224 -3.023 0.241 1.00 13.43 H new ATOM 0 HB3 MET A 57 2.479 -4.229 1.486 1.00 13.43 H new ATOM 0 HG2 MET A 57 4.530 -3.041 1.266 1.00 25.34 H new ATOM 0 HG3 MET A 57 4.792 -4.618 0.547 1.00 25.34 H new ATOM 0 HE1 MET A 57 3.025 -1.427 -1.775 1.00 34.35 H new ATOM 0 HE2 MET A 57 3.433 -1.234 -0.054 1.00 34.35 H new ATOM 0 HE3 MET A 57 4.487 -0.530 -1.303 1.00 34.35 H new ATOM 877 N PRO A 58 0.262 -6.199 0.384 1.00 31.52 N ATOM 878 CA PRO A 58 -1.185 -6.423 0.581 1.00 42.21 C ATOM 879 C PRO A 58 -1.815 -5.433 1.582 1.00 55.45 C ATOM 880 O PRO A 58 -1.471 -5.419 2.769 1.00 22.24 O ATOM 881 CB PRO A 58 -1.232 -7.856 1.126 1.00 1.04 C ATOM 882 CG PRO A 58 0.056 -8.019 1.863 1.00 41.15 C ATOM 883 CD PRO A 58 1.077 -7.201 1.105 1.00 24.30 C ATOM 0 HA PRO A 58 -1.754 -6.275 -0.337 1.00 42.21 H new ATOM 0 HB2 PRO A 58 -2.088 -8.002 1.785 1.00 1.04 H new ATOM 0 HB3 PRO A 58 -1.323 -8.584 0.320 1.00 1.04 H new ATOM 0 HG2 PRO A 58 -0.037 -7.671 2.892 1.00 41.15 H new ATOM 0 HG3 PRO A 58 0.351 -9.068 1.906 1.00 41.15 H new ATOM 0 HD2 PRO A 58 1.790 -6.726 1.779 1.00 24.30 H new ATOM 0 HD3 PRO A 58 1.653 -7.819 0.416 1.00 24.30 H new ATOM 891 N GLY A 59 -2.752 -4.615 1.105 1.00 50.54 N ATOM 892 CA GLY A 59 -3.376 -3.612 1.966 1.00 73.12 C ATOM 893 C GLY A 59 -4.858 -3.386 1.683 1.00 22.54 C ATOM 894 O GLY A 59 -5.404 -3.894 0.700 1.00 61.20 O ATOM 0 H GLY A 59 -3.091 -4.625 0.143 1.00 50.54 H new ATOM 0 HA2 GLY A 59 -3.258 -3.917 3.006 1.00 73.12 H new ATOM 0 HA3 GLY A 59 -2.846 -2.667 1.848 1.00 73.12 H new ATOM 898 N LEU A 60 -5.507 -2.618 2.559 1.00 65.34 N ATOM 899 CA LEU A 60 -6.928 -2.284 2.419 1.00 74.41 C ATOM 900 C LEU A 60 -7.108 -0.842 1.916 1.00 22.41 C ATOM 901 O LEU A 60 -6.624 0.104 2.536 1.00 53.31 O ATOM 902 CB LEU A 60 -7.637 -2.454 3.772 1.00 74.01 C ATOM 903 CG LEU A 60 -9.139 -2.112 3.782 1.00 61.04 C ATOM 904 CD1 LEU A 60 -9.920 -3.053 2.868 1.00 42.13 C ATOM 905 CD2 LEU A 60 -9.691 -2.154 5.206 1.00 15.23 C ATOM 0 H LEU A 60 -5.066 -2.210 3.383 1.00 65.34 H new ATOM 0 HA LEU A 60 -7.369 -2.960 1.687 1.00 74.41 H new ATOM 0 HB2 LEU A 60 -7.515 -3.487 4.099 1.00 74.01 H new ATOM 0 HB3 LEU A 60 -7.134 -1.826 4.507 1.00 74.01 H new ATOM 0 HG LEU A 60 -9.259 -1.098 3.399 1.00 61.04 H new ATOM 0 HD11 LEU A 60 -10.978 -2.790 2.893 1.00 42.13 H new ATOM 0 HD12 LEU A 60 -9.548 -2.961 1.848 1.00 42.13 H new ATOM 0 HD13 LEU A 60 -9.793 -4.080 3.210 1.00 42.13 H new ATOM 0 HD21 LEU A 60 -10.753 -1.910 5.192 1.00 15.23 H new ATOM 0 HD22 LEU A 60 -9.554 -3.153 5.620 1.00 15.23 H new ATOM 0 HD23 LEU A 60 -9.160 -1.429 5.823 1.00 15.23 H new ATOM 917 N ASN A 61 -7.808 -0.679 0.797 1.00 70.54 N ATOM 918 CA ASN A 61 -8.041 0.649 0.214 1.00 13.24 C ATOM 919 C ASN A 61 -9.270 1.337 0.849 1.00 43.12 C ATOM 920 O ASN A 61 -10.350 0.760 0.900 1.00 43.33 O ATOM 921 CB ASN A 61 -8.234 0.506 -1.301 1.00 23.05 C ATOM 922 CG ASN A 61 -8.338 1.843 -2.002 1.00 53.04 C ATOM 923 OD1 ASN A 61 -9.418 2.405 -2.133 1.00 22.21 O ATOM 924 ND2 ASN A 61 -7.219 2.359 -2.453 1.00 61.50 N ATOM 0 H ASN A 61 -8.226 -1.447 0.272 1.00 70.54 H new ATOM 0 HA ASN A 61 -7.174 1.277 0.418 1.00 13.24 H new ATOM 0 HB2 ASN A 61 -7.398 -0.055 -1.719 1.00 23.05 H new ATOM 0 HB3 ASN A 61 -9.136 -0.074 -1.496 1.00 23.05 H new ATOM 0 HD21 ASN A 61 -7.229 3.259 -2.932 1.00 61.50 H new ATOM 0 HD22 ASN A 61 -6.339 1.860 -2.324 1.00 61.50 H new ATOM 931 N GLU A 62 -9.109 2.580 1.310 1.00 40.11 N ATOM 932 CA GLU A 62 -10.204 3.312 1.983 1.00 23.14 C ATOM 933 C GLU A 62 -11.213 3.945 1.000 1.00 2.23 C ATOM 934 O GLU A 62 -12.151 4.622 1.425 1.00 11.54 O ATOM 935 CB GLU A 62 -9.636 4.395 2.914 1.00 24.35 C ATOM 936 CG GLU A 62 -8.994 3.849 4.187 1.00 61.45 C ATOM 937 CD GLU A 62 -10.000 3.183 5.117 1.00 21.34 C ATOM 938 OE1 GLU A 62 -10.597 3.887 5.963 1.00 3.01 O ATOM 939 OE2 GLU A 62 -10.208 1.958 5.007 1.00 25.02 O ATOM 0 H GLU A 62 -8.238 3.105 1.234 1.00 40.11 H new ATOM 0 HA GLU A 62 -10.751 2.570 2.565 1.00 23.14 H new ATOM 0 HB2 GLU A 62 -8.894 4.977 2.367 1.00 24.35 H new ATOM 0 HB3 GLU A 62 -10.438 5.079 3.189 1.00 24.35 H new ATOM 0 HG2 GLU A 62 -8.222 3.128 3.919 1.00 61.45 H new ATOM 0 HG3 GLU A 62 -8.500 4.663 4.717 1.00 61.45 H new ATOM 946 N ARG A 63 -11.015 3.761 -0.305 1.00 42.33 N ATOM 947 CA ARG A 63 -11.997 4.225 -1.305 1.00 1.11 C ATOM 948 C ARG A 63 -12.877 3.068 -1.808 1.00 61.41 C ATOM 949 O ARG A 63 -14.101 3.191 -1.888 1.00 62.44 O ATOM 950 CB ARG A 63 -11.294 4.890 -2.502 1.00 74.15 C ATOM 951 CG ARG A 63 -10.434 6.103 -2.152 1.00 12.34 C ATOM 952 CD ARG A 63 -11.247 7.274 -1.604 1.00 23.13 C ATOM 953 NE ARG A 63 -11.707 7.041 -0.238 1.00 61.15 N ATOM 954 CZ ARG A 63 -12.189 7.965 0.543 1.00 23.45 C ATOM 955 NH1 ARG A 63 -12.304 9.190 0.135 1.00 31.31 N ATOM 956 NH2 ARG A 63 -12.563 7.656 1.738 1.00 32.50 N ATOM 0 H ARG A 63 -10.195 3.300 -0.699 1.00 42.33 H new ATOM 0 HA ARG A 63 -12.633 4.959 -0.811 1.00 1.11 H new ATOM 0 HB2 ARG A 63 -10.666 4.147 -2.994 1.00 74.15 H new ATOM 0 HB3 ARG A 63 -12.051 5.196 -3.225 1.00 74.15 H new ATOM 0 HG2 ARG A 63 -9.686 5.811 -1.415 1.00 12.34 H new ATOM 0 HG3 ARG A 63 -9.894 6.428 -3.042 1.00 12.34 H new ATOM 0 HD2 ARG A 63 -10.639 8.179 -1.631 1.00 23.13 H new ATOM 0 HD3 ARG A 63 -12.108 7.449 -2.250 1.00 23.13 H new ATOM 0 HE ARG A 63 -11.647 6.091 0.129 1.00 61.15 H new ATOM 0 HH11 ARG A 63 -12.015 9.442 -0.810 1.00 31.31 H new ATOM 0 HH12 ARG A 63 -12.684 9.902 0.759 1.00 31.31 H new ATOM 0 HH21 ARG A 63 -12.480 6.694 2.065 1.00 32.50 H new ATOM 0 HH22 ARG A 63 -12.941 8.374 2.356 1.00 32.50 H new ATOM 970 N THR A 64 -12.242 1.953 -2.166 1.00 14.11 N ATOM 971 CA THR A 64 -12.958 0.767 -2.669 1.00 53.41 C ATOM 972 C THR A 64 -13.207 -0.272 -1.567 1.00 42.01 C ATOM 973 O THR A 64 -14.132 -1.082 -1.658 1.00 43.45 O ATOM 974 CB THR A 64 -12.168 0.078 -3.806 1.00 42.55 C ATOM 975 OG1 THR A 64 -10.923 -0.434 -3.301 1.00 12.50 O ATOM 976 CG2 THR A 64 -11.890 1.047 -4.949 1.00 25.34 C ATOM 0 H THR A 64 -11.229 1.840 -2.119 1.00 14.11 H new ATOM 0 HA THR A 64 -13.916 1.132 -3.041 1.00 53.41 H new ATOM 0 HB THR A 64 -12.776 -0.743 -4.187 1.00 42.55 H new ATOM 0 HG1 THR A 64 -10.430 -0.870 -4.027 1.00 12.50 H new ATOM 0 HG21 THR A 64 -11.333 0.534 -5.733 1.00 25.34 H new ATOM 0 HG22 THR A 64 -12.834 1.413 -5.354 1.00 25.34 H new ATOM 0 HG23 THR A 64 -11.304 1.888 -4.579 1.00 25.34 H new ATOM 984 N ARG A 65 -12.366 -0.252 -0.532 1.00 42.35 N ATOM 985 CA ARG A 65 -12.418 -1.245 0.554 1.00 22.23 C ATOM 986 C ARG A 65 -12.121 -2.663 0.044 1.00 40.35 C ATOM 987 O ARG A 65 -12.504 -3.657 0.663 1.00 1.41 O ATOM 988 CB ARG A 65 -13.762 -1.175 1.304 1.00 20.12 C ATOM 989 CG ARG A 65 -13.816 -0.041 2.327 1.00 40.12 C ATOM 990 CD ARG A 65 -12.873 -0.309 3.501 1.00 41.12 C ATOM 991 NE ARG A 65 -12.667 0.871 4.340 1.00 75.55 N ATOM 992 CZ ARG A 65 -13.413 1.200 5.361 1.00 20.12 C ATOM 993 NH1 ARG A 65 -14.453 0.494 5.676 1.00 73.42 N ATOM 994 NH2 ARG A 65 -13.107 2.238 6.070 1.00 30.53 N ATOM 0 H ARG A 65 -11.632 0.447 -0.418 1.00 42.35 H new ATOM 0 HA ARG A 65 -11.631 -0.996 1.266 1.00 22.23 H new ATOM 0 HB2 ARG A 65 -14.568 -1.045 0.582 1.00 20.12 H new ATOM 0 HB3 ARG A 65 -13.939 -2.123 1.811 1.00 20.12 H new ATOM 0 HG2 ARG A 65 -13.544 0.899 1.846 1.00 40.12 H new ATOM 0 HG3 ARG A 65 -14.836 0.072 2.695 1.00 40.12 H new ATOM 0 HD2 ARG A 65 -13.278 -1.117 4.110 1.00 41.12 H new ATOM 0 HD3 ARG A 65 -11.911 -0.650 3.119 1.00 41.12 H new ATOM 0 HE ARG A 65 -11.883 1.482 4.111 1.00 75.55 H new ATOM 0 HH11 ARG A 65 -14.697 -0.329 5.125 1.00 73.42 H new ATOM 0 HH12 ARG A 65 -15.028 0.761 6.475 1.00 73.42 H new ATOM 0 HH21 ARG A 65 -12.287 2.795 5.831 1.00 30.53 H new ATOM 0 HH22 ARG A 65 -13.686 2.499 6.868 1.00 30.53 H new ATOM 1008 N GLN A 66 -11.408 -2.742 -1.078 1.00 22.43 N ATOM 1009 CA GLN A 66 -10.913 -4.020 -1.599 1.00 64.04 C ATOM 1010 C GLN A 66 -9.475 -4.279 -1.117 1.00 32.44 C ATOM 1011 O GLN A 66 -8.668 -3.351 -1.003 1.00 43.12 O ATOM 1012 CB GLN A 66 -10.960 -4.032 -3.136 1.00 44.11 C ATOM 1013 CG GLN A 66 -12.356 -3.827 -3.719 1.00 5.14 C ATOM 1014 CD GLN A 66 -13.360 -4.869 -3.253 1.00 61.55 C ATOM 1015 OE1 GLN A 66 -13.006 -6.007 -2.953 1.00 72.40 O ATOM 1016 NE2 GLN A 66 -14.621 -4.495 -3.201 1.00 65.23 N ATOM 0 H GLN A 66 -11.158 -1.934 -1.648 1.00 22.43 H new ATOM 0 HA GLN A 66 -11.559 -4.813 -1.222 1.00 64.04 H new ATOM 0 HB2 GLN A 66 -10.301 -3.250 -3.515 1.00 44.11 H new ATOM 0 HB3 GLN A 66 -10.565 -4.983 -3.493 1.00 44.11 H new ATOM 0 HG2 GLN A 66 -12.716 -2.836 -3.442 1.00 5.14 H new ATOM 0 HG3 GLN A 66 -12.295 -3.852 -4.807 1.00 5.14 H new ATOM 0 HE21 GLN A 66 -14.881 -3.543 -3.457 1.00 65.23 H new ATOM 0 HE22 GLN A 66 -15.338 -5.158 -2.905 1.00 65.23 H new ATOM 1025 N ARG A 67 -9.169 -5.538 -0.824 1.00 31.05 N ATOM 1026 CA ARG A 67 -7.834 -5.930 -0.361 1.00 71.13 C ATOM 1027 C ARG A 67 -6.999 -6.529 -1.504 1.00 35.33 C ATOM 1028 O ARG A 67 -7.446 -7.441 -2.200 1.00 21.42 O ATOM 1029 CB ARG A 67 -7.957 -6.937 0.791 1.00 51.31 C ATOM 1030 CG ARG A 67 -8.652 -6.372 2.024 1.00 42.10 C ATOM 1031 CD ARG A 67 -8.897 -7.444 3.080 1.00 60.30 C ATOM 1032 NE ARG A 67 -9.482 -6.889 4.296 1.00 35.34 N ATOM 1033 CZ ARG A 67 -10.762 -6.749 4.504 1.00 22.33 C ATOM 1034 NH1 ARG A 67 -11.626 -7.084 3.596 1.00 65.11 N ATOM 1035 NH2 ARG A 67 -11.178 -6.270 5.629 1.00 4.12 N ATOM 0 H ARG A 67 -9.829 -6.312 -0.898 1.00 31.05 H new ATOM 0 HA ARG A 67 -7.320 -5.036 -0.006 1.00 71.13 H new ATOM 0 HB2 ARG A 67 -8.508 -7.810 0.442 1.00 51.31 H new ATOM 0 HB3 ARG A 67 -6.961 -7.280 1.071 1.00 51.31 H new ATOM 0 HG2 ARG A 67 -8.043 -5.575 2.450 1.00 42.10 H new ATOM 0 HG3 ARG A 67 -9.603 -5.926 1.732 1.00 42.10 H new ATOM 0 HD2 ARG A 67 -9.560 -8.208 2.674 1.00 60.30 H new ATOM 0 HD3 ARG A 67 -7.955 -7.936 3.323 1.00 60.30 H new ATOM 0 HE ARG A 67 -8.846 -6.590 5.035 1.00 35.34 H new ATOM 0 HH11 ARG A 67 -11.308 -7.463 2.704 1.00 65.11 H new ATOM 0 HH12 ARG A 67 -12.624 -6.968 3.774 1.00 65.11 H new ATOM 0 HH21 ARG A 67 -10.507 -6.003 6.349 1.00 4.12 H new ATOM 0 HH22 ARG A 67 -12.178 -6.158 5.797 1.00 4.12 H new ATOM 1049 N GLY A 68 -5.787 -6.011 -1.690 1.00 22.15 N ATOM 1050 CA GLY A 68 -4.910 -6.507 -2.747 1.00 32.15 C ATOM 1051 C GLY A 68 -3.483 -5.982 -2.636 1.00 15.43 C ATOM 1052 O GLY A 68 -3.154 -5.240 -1.706 1.00 3.31 O ATOM 0 H GLY A 68 -5.393 -5.256 -1.129 1.00 22.15 H new ATOM 0 HA2 GLY A 68 -4.893 -7.596 -2.716 1.00 32.15 H new ATOM 0 HA3 GLY A 68 -5.321 -6.222 -3.715 1.00 32.15 H new ATOM 1056 N ASP A 69 -2.637 -6.363 -3.589 1.00 63.31 N ATOM 1057 CA ASP A 69 -1.228 -5.966 -3.590 1.00 71.35 C ATOM 1058 C ASP A 69 -1.013 -4.718 -4.462 1.00 53.30 C ATOM 1059 O ASP A 69 -1.119 -4.777 -5.688 1.00 0.44 O ATOM 1060 CB ASP A 69 -0.370 -7.127 -4.100 1.00 43.11 C ATOM 1061 CG ASP A 69 -0.694 -8.433 -3.391 1.00 23.34 C ATOM 1062 OD1 ASP A 69 -1.712 -9.067 -3.746 1.00 33.23 O ATOM 1063 OD2 ASP A 69 0.062 -8.841 -2.484 1.00 15.42 O ATOM 0 H ASP A 69 -2.904 -6.952 -4.378 1.00 63.31 H new ATOM 0 HA ASP A 69 -0.931 -5.719 -2.571 1.00 71.35 H new ATOM 0 HB2 ASP A 69 -0.526 -7.249 -5.172 1.00 43.11 H new ATOM 0 HB3 ASP A 69 0.684 -6.889 -3.956 1.00 43.11 H new ATOM 1068 N PHE A 70 -0.723 -3.586 -3.829 1.00 25.43 N ATOM 1069 CA PHE A 70 -0.556 -2.320 -4.552 1.00 74.41 C ATOM 1070 C PHE A 70 0.927 -1.974 -4.770 1.00 10.11 C ATOM 1071 O PHE A 70 1.769 -2.219 -3.900 1.00 70.03 O ATOM 1072 CB PHE A 70 -1.266 -1.178 -3.805 1.00 51.32 C ATOM 1073 CG PHE A 70 -0.766 -0.944 -2.397 1.00 3.51 C ATOM 1074 CD1 PHE A 70 -1.256 -1.693 -1.337 1.00 52.31 C ATOM 1075 CD2 PHE A 70 0.191 0.030 -2.135 1.00 50.20 C ATOM 1076 CE1 PHE A 70 -0.804 -1.478 -0.049 1.00 3.22 C ATOM 1077 CE2 PHE A 70 0.645 0.247 -0.847 1.00 22.04 C ATOM 1078 CZ PHE A 70 0.147 -0.507 0.195 1.00 4.22 C ATOM 0 H PHE A 70 -0.598 -3.514 -2.819 1.00 25.43 H new ATOM 0 HA PHE A 70 -1.012 -2.443 -5.534 1.00 74.41 H new ATOM 0 HB2 PHE A 70 -1.147 -0.258 -4.377 1.00 51.32 H new ATOM 0 HB3 PHE A 70 -2.334 -1.394 -3.767 1.00 51.32 H new ATOM 0 HD1 PHE A 70 -2.000 -2.454 -1.521 1.00 52.31 H new ATOM 0 HD2 PHE A 70 0.584 0.624 -2.947 1.00 50.20 H new ATOM 0 HE1 PHE A 70 -1.194 -2.069 0.766 1.00 3.22 H new ATOM 0 HE2 PHE A 70 1.389 1.006 -0.657 1.00 22.04 H new ATOM 0 HZ PHE A 70 0.501 -0.338 1.201 1.00 4.22 H new ATOM 1088 N PRO A 71 1.267 -1.398 -5.946 1.00 61.41 N ATOM 1089 CA PRO A 71 2.644 -0.971 -6.255 1.00 43.50 C ATOM 1090 C PRO A 71 3.109 0.228 -5.398 1.00 42.32 C ATOM 1091 O PRO A 71 2.625 1.353 -5.557 1.00 53.42 O ATOM 1092 CB PRO A 71 2.575 -0.592 -7.743 1.00 63.12 C ATOM 1093 CG PRO A 71 1.144 -0.244 -7.982 1.00 20.21 C ATOM 1094 CD PRO A 71 0.344 -1.139 -7.073 1.00 32.32 C ATOM 0 HA PRO A 71 3.369 -1.755 -6.037 1.00 43.50 H new ATOM 0 HB2 PRO A 71 3.230 0.250 -7.967 1.00 63.12 H new ATOM 0 HB3 PRO A 71 2.892 -1.420 -8.377 1.00 63.12 H new ATOM 0 HG2 PRO A 71 0.955 0.806 -7.761 1.00 20.21 H new ATOM 0 HG3 PRO A 71 0.872 -0.404 -9.025 1.00 20.21 H new ATOM 0 HD2 PRO A 71 -0.573 -0.655 -6.738 1.00 32.32 H new ATOM 0 HD3 PRO A 71 0.052 -2.062 -7.574 1.00 32.32 H new ATOM 1102 N GLY A 72 4.067 -0.025 -4.503 1.00 14.34 N ATOM 1103 CA GLY A 72 4.565 1.006 -3.593 1.00 54.30 C ATOM 1104 C GLY A 72 5.282 2.167 -4.282 1.00 15.43 C ATOM 1105 O GLY A 72 5.603 3.167 -3.644 1.00 32.02 O ATOM 0 H GLY A 72 4.513 -0.936 -4.390 1.00 14.34 H new ATOM 0 HA2 GLY A 72 3.727 1.402 -3.019 1.00 54.30 H new ATOM 0 HA3 GLY A 72 5.249 0.545 -2.881 1.00 54.30 H new ATOM 1109 N THR A 73 5.535 2.040 -5.581 1.00 14.11 N ATOM 1110 CA THR A 73 6.209 3.097 -6.352 1.00 44.43 C ATOM 1111 C THR A 73 5.250 4.242 -6.719 1.00 15.10 C ATOM 1112 O THR A 73 5.686 5.315 -7.134 1.00 42.51 O ATOM 1113 CB THR A 73 6.836 2.536 -7.652 1.00 42.12 C ATOM 1114 OG1 THR A 73 5.837 1.850 -8.425 1.00 62.12 O ATOM 1115 CG2 THR A 73 7.985 1.581 -7.341 1.00 54.04 C ATOM 0 H THR A 73 5.286 1.217 -6.129 1.00 14.11 H new ATOM 0 HA THR A 73 6.996 3.488 -5.707 1.00 44.43 H new ATOM 0 HB THR A 73 7.229 3.376 -8.225 1.00 42.12 H new ATOM 0 HG1 THR A 73 5.123 2.476 -8.666 1.00 62.12 H new ATOM 0 HG21 THR A 73 8.406 1.203 -8.273 1.00 54.04 H new ATOM 0 HG22 THR A 73 8.757 2.110 -6.782 1.00 54.04 H new ATOM 0 HG23 THR A 73 7.614 0.747 -6.746 1.00 54.04 H new ATOM 1123 N TYR A 74 3.946 4.011 -6.564 1.00 52.12 N ATOM 1124 CA TYR A 74 2.934 5.026 -6.902 1.00 12.04 C ATOM 1125 C TYR A 74 2.221 5.577 -5.654 1.00 42.32 C ATOM 1126 O TYR A 74 1.272 6.359 -5.771 1.00 33.23 O ATOM 1127 CB TYR A 74 1.896 4.434 -7.866 1.00 1.21 C ATOM 1128 CG TYR A 74 2.473 4.007 -9.204 1.00 2.40 C ATOM 1129 CD1 TYR A 74 2.617 4.919 -10.243 1.00 23.45 C ATOM 1130 CD2 TYR A 74 2.881 2.695 -9.425 1.00 13.15 C ATOM 1131 CE1 TYR A 74 3.144 4.538 -11.461 1.00 44.10 C ATOM 1132 CE2 TYR A 74 3.413 2.307 -10.642 1.00 73.43 C ATOM 1133 CZ TYR A 74 3.542 3.231 -11.655 1.00 60.34 C ATOM 1134 OH TYR A 74 4.074 2.849 -12.869 1.00 63.34 O ATOM 0 H TYR A 74 3.562 3.136 -6.209 1.00 52.12 H new ATOM 0 HA TYR A 74 3.457 5.855 -7.379 1.00 12.04 H new ATOM 0 HB2 TYR A 74 1.425 3.572 -7.393 1.00 1.21 H new ATOM 0 HB3 TYR A 74 1.112 5.171 -8.038 1.00 1.21 H new ATOM 0 HD1 TYR A 74 2.311 5.944 -10.095 1.00 23.45 H new ATOM 0 HD2 TYR A 74 2.781 1.967 -8.633 1.00 13.15 H new ATOM 0 HE1 TYR A 74 3.244 5.260 -12.258 1.00 44.10 H new ATOM 0 HE2 TYR A 74 3.725 1.285 -10.797 1.00 73.43 H new ATOM 0 HH TYR A 74 4.304 1.897 -12.840 1.00 63.34 H new ATOM 1144 N VAL A 75 2.679 5.180 -4.465 1.00 62.24 N ATOM 1145 CA VAL A 75 2.033 5.597 -3.211 1.00 74.30 C ATOM 1146 C VAL A 75 3.039 6.203 -2.211 1.00 31.43 C ATOM 1147 O VAL A 75 4.171 5.734 -2.086 1.00 11.02 O ATOM 1148 CB VAL A 75 1.295 4.414 -2.522 1.00 71.33 C ATOM 1149 CG1 VAL A 75 0.264 3.786 -3.461 1.00 53.32 C ATOM 1150 CG2 VAL A 75 2.285 3.362 -2.024 1.00 14.40 C ATOM 0 H VAL A 75 3.490 4.574 -4.340 1.00 62.24 H new ATOM 0 HA VAL A 75 1.309 6.362 -3.491 1.00 74.30 H new ATOM 0 HB VAL A 75 0.765 4.814 -1.658 1.00 71.33 H new ATOM 0 HG11 VAL A 75 -0.236 2.962 -2.953 1.00 53.32 H new ATOM 0 HG12 VAL A 75 -0.473 4.537 -3.747 1.00 53.32 H new ATOM 0 HG13 VAL A 75 0.765 3.411 -4.353 1.00 53.32 H new ATOM 0 HG21 VAL A 75 1.741 2.547 -1.547 1.00 14.40 H new ATOM 0 HG22 VAL A 75 2.856 2.972 -2.867 1.00 14.40 H new ATOM 0 HG23 VAL A 75 2.965 3.815 -1.303 1.00 14.40 H new ATOM 1160 N GLU A 76 2.614 7.249 -1.507 1.00 32.45 N ATOM 1161 CA GLU A 76 3.414 7.855 -0.435 1.00 34.32 C ATOM 1162 C GLU A 76 3.059 7.224 0.922 1.00 61.10 C ATOM 1163 O GLU A 76 1.988 6.630 1.084 1.00 34.33 O ATOM 1164 CB GLU A 76 3.175 9.372 -0.386 1.00 52.12 C ATOM 1165 CG GLU A 76 1.749 9.754 0.000 1.00 33.44 C ATOM 1166 CD GLU A 76 1.495 11.253 -0.047 1.00 41.31 C ATOM 1167 OE1 GLU A 76 1.996 11.976 0.840 1.00 22.34 O ATOM 1168 OE2 GLU A 76 0.789 11.718 -0.965 1.00 51.51 O ATOM 0 H GLU A 76 1.712 7.701 -1.658 1.00 32.45 H new ATOM 0 HA GLU A 76 4.468 7.669 -0.643 1.00 34.32 H new ATOM 0 HB2 GLU A 76 3.867 9.817 0.328 1.00 52.12 H new ATOM 0 HB3 GLU A 76 3.405 9.799 -1.362 1.00 52.12 H new ATOM 0 HG2 GLU A 76 1.052 9.253 -0.671 1.00 33.44 H new ATOM 0 HG3 GLU A 76 1.542 9.389 1.006 1.00 33.44 H new ATOM 1175 N PHE A 77 3.954 7.353 1.899 1.00 12.25 N ATOM 1176 CA PHE A 77 3.723 6.789 3.234 1.00 52.15 C ATOM 1177 C PHE A 77 3.364 7.881 4.254 1.00 71.15 C ATOM 1178 O PHE A 77 4.112 8.843 4.445 1.00 74.31 O ATOM 1179 CB PHE A 77 4.959 6.016 3.709 1.00 53.32 C ATOM 1180 CG PHE A 77 4.793 5.381 5.068 1.00 21.22 C ATOM 1181 CD1 PHE A 77 3.927 4.312 5.250 1.00 75.23 C ATOM 1182 CD2 PHE A 77 5.503 5.853 6.163 1.00 43.15 C ATOM 1183 CE1 PHE A 77 3.776 3.728 6.493 1.00 54.32 C ATOM 1184 CE2 PHE A 77 5.356 5.272 7.406 1.00 33.34 C ATOM 1185 CZ PHE A 77 4.491 4.208 7.573 1.00 71.03 C ATOM 0 H PHE A 77 4.844 7.841 1.796 1.00 12.25 H new ATOM 0 HA PHE A 77 2.878 6.105 3.160 1.00 52.15 H new ATOM 0 HB2 PHE A 77 5.193 5.239 2.981 1.00 53.32 H new ATOM 0 HB3 PHE A 77 5.812 6.694 3.736 1.00 53.32 H new ATOM 0 HD1 PHE A 77 3.364 3.932 4.410 1.00 75.23 H new ATOM 0 HD2 PHE A 77 6.179 6.686 6.041 1.00 43.15 H new ATOM 0 HE1 PHE A 77 3.099 2.896 6.620 1.00 54.32 H new ATOM 0 HE2 PHE A 77 5.917 5.649 8.248 1.00 33.34 H new ATOM 0 HZ PHE A 77 4.374 3.753 8.545 1.00 71.03 H new ATOM 1195 N LEU A 78 2.220 7.718 4.914 1.00 2.51 N ATOM 1196 CA LEU A 78 1.758 8.678 5.922 1.00 11.14 C ATOM 1197 C LEU A 78 2.263 8.293 7.328 1.00 61.44 C ATOM 1198 O LEU A 78 2.981 9.057 7.980 1.00 2.00 O ATOM 1199 CB LEU A 78 0.219 8.745 5.911 1.00 61.40 C ATOM 1200 CG LEU A 78 -0.420 9.039 4.540 1.00 44.12 C ATOM 1201 CD1 LEU A 78 -1.944 9.043 4.643 1.00 21.42 C ATOM 1202 CD2 LEU A 78 0.087 10.365 3.973 1.00 5.10 C ATOM 0 H LEU A 78 1.591 6.928 4.770 1.00 2.51 H new ATOM 0 HA LEU A 78 2.164 9.659 5.675 1.00 11.14 H new ATOM 0 HB2 LEU A 78 -0.172 7.796 6.279 1.00 61.40 H new ATOM 0 HB3 LEU A 78 -0.099 9.515 6.614 1.00 61.40 H new ATOM 0 HG LEU A 78 -0.126 8.244 3.854 1.00 44.12 H new ATOM 0 HD11 LEU A 78 -2.374 9.253 3.664 1.00 21.42 H new ATOM 0 HD12 LEU A 78 -2.288 8.068 4.989 1.00 21.42 H new ATOM 0 HD13 LEU A 78 -2.259 9.811 5.350 1.00 21.42 H new ATOM 0 HD21 LEU A 78 -0.379 10.549 3.005 1.00 5.10 H new ATOM 0 HD22 LEU A 78 -0.167 11.174 4.658 1.00 5.10 H new ATOM 0 HD23 LEU A 78 1.169 10.319 3.851 1.00 5.10 H new ATOM 1214 N GLY A 79 1.888 7.098 7.783 1.00 51.04 N ATOM 1215 CA GLY A 79 2.295 6.623 9.107 1.00 45.45 C ATOM 1216 C GLY A 79 1.239 5.741 9.768 1.00 44.13 C ATOM 1217 O GLY A 79 0.252 5.377 9.131 1.00 33.31 O ATOM 0 H GLY A 79 1.307 6.444 7.259 1.00 51.04 H new ATOM 0 HA2 GLY A 79 3.226 6.063 9.017 1.00 45.45 H new ATOM 0 HA3 GLY A 79 2.500 7.480 9.749 1.00 45.45 H new ATOM 1221 N PRO A 80 1.424 5.363 11.046 1.00 22.40 N ATOM 1222 CA PRO A 80 0.424 4.571 11.784 1.00 51.24 C ATOM 1223 C PRO A 80 -0.870 5.365 12.042 1.00 52.12 C ATOM 1224 O PRO A 80 -0.824 6.529 12.446 1.00 25.23 O ATOM 1225 CB PRO A 80 1.136 4.237 13.104 1.00 53.10 C ATOM 1226 CG PRO A 80 2.162 5.309 13.265 1.00 22.22 C ATOM 1227 CD PRO A 80 2.610 5.669 11.871 1.00 55.32 C ATOM 0 HA PRO A 80 0.106 3.689 11.229 1.00 51.24 H new ATOM 0 HB2 PRO A 80 0.437 4.230 13.940 1.00 53.10 H new ATOM 0 HB3 PRO A 80 1.597 3.250 13.066 1.00 53.10 H new ATOM 0 HG2 PRO A 80 1.743 6.176 13.776 1.00 22.22 H new ATOM 0 HG3 PRO A 80 3.001 4.959 13.866 1.00 22.22 H new ATOM 0 HD2 PRO A 80 2.892 6.719 11.797 1.00 55.32 H new ATOM 0 HD3 PRO A 80 3.477 5.084 11.563 1.00 55.32 H new ATOM 1235 N LEU A 81 -2.017 4.730 11.810 1.00 5.21 N ATOM 1236 CA LEU A 81 -3.319 5.399 11.957 1.00 1.15 C ATOM 1237 C LEU A 81 -3.633 5.794 13.415 1.00 21.01 C ATOM 1238 O LEU A 81 -3.025 5.285 14.361 1.00 44.03 O ATOM 1239 CB LEU A 81 -4.439 4.523 11.355 1.00 15.44 C ATOM 1240 CG LEU A 81 -4.391 3.018 11.691 1.00 71.11 C ATOM 1241 CD1 LEU A 81 -4.766 2.757 13.147 1.00 41.54 C ATOM 1242 CD2 LEU A 81 -5.297 2.230 10.746 1.00 71.53 C ATOM 0 H LEU A 81 -2.077 3.754 11.520 1.00 5.21 H new ATOM 0 HA LEU A 81 -3.265 6.335 11.401 1.00 1.15 H new ATOM 0 HB2 LEU A 81 -5.398 4.917 11.691 1.00 15.44 H new ATOM 0 HB3 LEU A 81 -4.412 4.632 10.271 1.00 15.44 H new ATOM 0 HG LEU A 81 -3.365 2.677 11.552 1.00 71.11 H new ATOM 0 HD11 LEU A 81 -4.721 1.687 13.348 1.00 41.54 H new ATOM 0 HD12 LEU A 81 -4.068 3.278 13.802 1.00 41.54 H new ATOM 0 HD13 LEU A 81 -5.777 3.119 13.333 1.00 41.54 H new ATOM 0 HD21 LEU A 81 -5.251 1.170 10.997 1.00 71.53 H new ATOM 0 HD22 LEU A 81 -6.323 2.583 10.847 1.00 71.53 H new ATOM 0 HD23 LEU A 81 -4.964 2.374 9.718 1.00 71.53 H new