USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 806 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 48 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.11) USER MOD Set 1.2: A 50 TYR OH : rot 40:sc= 0.0165 USER MOD Set 2.1: A 7 MET CE :methyl -116:sc= -0.976 (180deg=-1.82!) USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0207) USER MOD Single : A 5 SER OG : rot -147:sc= 1.97 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.051 (180deg=0.0506) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 82:sc= -1.25 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -115:sc= 0.309 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0438 X(o=-0.044,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.457 -0.920 -2.367 1.00 0.00 N ATOM 19 CA ARG A 2 2.684 -2.127 -3.180 1.00 0.00 C ATOM 20 C ARG A 2 4.064 -2.720 -2.838 1.00 0.00 C ATOM 21 O ARG A 2 5.100 -2.208 -3.280 1.00 0.00 O ATOM 22 CB ARG A 2 2.593 -1.771 -4.686 1.00 0.00 C ATOM 23 CG ARG A 2 1.326 -0.980 -5.069 1.00 0.00 C ATOM 24 CD ARG A 2 1.192 -0.754 -6.577 1.00 0.00 C ATOM 25 NE ARG A 2 2.338 -0.060 -7.179 1.00 0.00 N ATOM 26 CZ ARG A 2 2.576 0.029 -8.498 1.00 0.00 C ATOM 27 NH1 ARG A 2 1.747 -0.511 -9.394 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.656 0.663 -8.916 1.00 0.00 N ATOM 0 HA ARG A 2 1.919 -2.871 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.471 -1.188 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.624 -2.692 -5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.448 -1.516 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.341 -0.015 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.064 -1.718 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.288 -0.176 -6.769 1.00 0.00 H new ATOM 0 HE ARG A 2 3.003 0.388 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.911 -1.005 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.950 -0.430 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.298 1.078 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.849 0.738 -9.915 1.00 0.00 H new ATOM 42 N LEU A 3 4.059 -3.771 -2.002 1.00 0.00 N ATOM 43 CA LEU A 3 5.283 -4.424 -1.496 1.00 0.00 C ATOM 44 C LEU A 3 5.032 -5.918 -1.197 1.00 0.00 C ATOM 45 O LEU A 3 3.889 -6.404 -1.282 1.00 0.00 O ATOM 46 CB LEU A 3 5.848 -3.654 -0.244 1.00 0.00 C ATOM 47 CG LEU A 3 4.814 -2.955 0.704 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.805 -3.946 1.293 1.00 0.00 C ATOM 49 CD2 LEU A 3 5.524 -2.161 1.828 1.00 0.00 C ATOM 0 H LEU A 3 3.200 -4.197 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 3 6.045 -4.380 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.427 -4.360 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.543 -2.894 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 3 4.255 -2.249 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.110 -3.414 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.252 -4.426 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.334 -4.704 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.778 -1.689 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.134 -2.840 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.160 -1.394 1.386 1.00 0.00 H new ATOM 61 N LYS A 4 6.119 -6.630 -0.836 1.00 0.00 N ATOM 62 CA LYS A 4 6.077 -8.076 -0.552 1.00 0.00 C ATOM 63 C LYS A 4 5.442 -8.347 0.833 1.00 0.00 C ATOM 64 O LYS A 4 5.214 -7.419 1.620 1.00 0.00 O ATOM 65 CB LYS A 4 7.508 -8.700 -0.653 1.00 0.00 C ATOM 66 CG LYS A 4 8.438 -8.461 0.558 1.00 0.00 C ATOM 67 CD LYS A 4 9.830 -9.116 0.391 1.00 0.00 C ATOM 68 CE LYS A 4 10.671 -8.478 -0.727 1.00 0.00 C ATOM 69 NZ LYS A 4 11.071 -7.084 -0.394 1.00 0.00 N ATOM 0 H LYS A 4 7.047 -6.219 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 4 5.449 -8.555 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.404 -9.775 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.994 -8.302 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.563 -7.388 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.963 -8.854 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.374 -9.042 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.702 -10.177 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.563 -9.080 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.101 -8.480 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.719 -6.725 -1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.225 -6.480 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.549 -7.071 0.530 1.00 0.00 H new ATOM 83 N SER A 5 5.198 -9.634 1.118 1.00 0.00 N ATOM 84 CA SER A 5 4.517 -10.102 2.341 1.00 0.00 C ATOM 85 C SER A 5 5.315 -9.738 3.615 1.00 0.00 C ATOM 86 O SER A 5 4.754 -9.231 4.585 1.00 0.00 O ATOM 87 CB SER A 5 4.311 -11.627 2.212 1.00 0.00 C ATOM 88 OG SER A 5 3.671 -11.941 0.982 1.00 0.00 O ATOM 0 H SER A 5 5.472 -10.395 0.496 1.00 0.00 H new ATOM 0 HA SER A 5 3.552 -9.605 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.273 -12.136 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.709 -11.990 3.045 1.00 0.00 H new ATOM 0 HG SER A 5 3.098 -12.727 1.103 1.00 0.00 H new ATOM 94 N GLU A 6 6.634 -9.964 3.553 1.00 0.00 N ATOM 95 CA GLU A 6 7.594 -9.626 4.625 1.00 0.00 C ATOM 96 C GLU A 6 7.582 -8.123 4.932 1.00 0.00 C ATOM 97 O GLU A 6 7.454 -7.710 6.090 1.00 0.00 O ATOM 98 CB GLU A 6 9.008 -10.105 4.181 1.00 0.00 C ATOM 99 CG GLU A 6 10.209 -9.695 5.078 1.00 0.00 C ATOM 100 CD GLU A 6 10.894 -8.385 4.638 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.510 -8.375 3.552 1.00 0.00 O ATOM 102 OE2 GLU A 6 10.811 -7.365 5.363 1.00 0.00 O ATOM 0 H GLU A 6 7.078 -10.395 2.742 1.00 0.00 H new ATOM 0 HA GLU A 6 7.309 -10.131 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.991 -11.193 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.193 -9.727 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.863 -9.586 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.945 -10.499 5.073 1.00 0.00 H new ATOM 109 N MET A 7 7.682 -7.332 3.860 1.00 0.00 N ATOM 110 CA MET A 7 7.803 -5.868 3.937 1.00 0.00 C ATOM 111 C MET A 7 6.461 -5.237 4.377 1.00 0.00 C ATOM 112 O MET A 7 6.448 -4.138 4.941 1.00 0.00 O ATOM 113 CB MET A 7 8.280 -5.316 2.564 1.00 0.00 C ATOM 114 CG MET A 7 8.669 -3.823 2.512 1.00 0.00 C ATOM 115 SD MET A 7 10.120 -3.388 3.512 1.00 0.00 S ATOM 116 CE MET A 7 9.402 -2.713 5.014 1.00 0.00 C ATOM 0 H MET A 7 7.682 -7.690 2.905 1.00 0.00 H new ATOM 0 HA MET A 7 8.545 -5.600 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.140 -5.903 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.487 -5.486 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.862 -3.547 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.820 -3.227 2.848 1.00 0.00 H new ATOM 0 HE1 MET A 7 9.676 -1.662 5.108 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.317 -2.803 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.778 -3.264 5.876 1.00 0.00 H new ATOM 126 N PHE A 8 5.336 -5.956 4.140 1.00 0.00 N ATOM 127 CA PHE A 8 4.005 -5.520 4.607 1.00 0.00 C ATOM 128 C PHE A 8 3.903 -5.687 6.130 1.00 0.00 C ATOM 129 O PHE A 8 3.404 -4.791 6.819 1.00 0.00 O ATOM 130 CB PHE A 8 2.847 -6.297 3.903 1.00 0.00 C ATOM 131 CG PHE A 8 1.459 -5.688 4.184 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.931 -4.693 3.354 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.703 -6.076 5.294 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.294 -4.112 3.620 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.524 -5.495 5.555 1.00 0.00 C ATOM 136 CZ PHE A 8 -1.023 -4.513 4.719 1.00 0.00 C ATOM 0 H PHE A 8 5.328 -6.839 3.629 1.00 0.00 H new ATOM 0 HA PHE A 8 3.896 -4.468 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.023 -6.306 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.857 -7.335 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.492 -4.373 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.083 -6.840 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.680 -3.344 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.095 -5.810 6.416 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.982 -4.061 4.927 1.00 0.00 H new ATOM 146 N VAL A 9 4.382 -6.846 6.636 1.00 0.00 N ATOM 147 CA VAL A 9 4.379 -7.148 8.084 1.00 0.00 C ATOM 148 C VAL A 9 5.235 -6.124 8.832 1.00 0.00 C ATOM 149 O VAL A 9 4.777 -5.519 9.796 1.00 0.00 O ATOM 150 CB VAL A 9 4.903 -8.597 8.412 1.00 0.00 C ATOM 151 CG1 VAL A 9 4.922 -8.856 9.925 1.00 0.00 C ATOM 152 CG2 VAL A 9 4.064 -9.663 7.696 1.00 0.00 C ATOM 0 H VAL A 9 4.777 -7.589 6.060 1.00 0.00 H new ATOM 0 HA VAL A 9 3.341 -7.094 8.411 1.00 0.00 H new ATOM 0 HB VAL A 9 5.927 -8.663 8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.289 -9.864 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.578 -8.133 10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.913 -8.755 10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.448 -10.653 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.026 -9.587 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.121 -9.508 6.619 1.00 0.00 H new ATOM 162 N SER A 10 6.462 -5.913 8.323 1.00 0.00 N ATOM 163 CA SER A 10 7.422 -4.945 8.876 1.00 0.00 C ATOM 164 C SER A 10 6.768 -3.556 8.996 1.00 0.00 C ATOM 165 O SER A 10 6.743 -2.966 10.079 1.00 0.00 O ATOM 166 CB SER A 10 8.684 -4.882 7.987 1.00 0.00 C ATOM 167 OG SER A 10 9.685 -4.045 8.549 1.00 0.00 O ATOM 0 H SER A 10 6.817 -6.415 7.509 1.00 0.00 H new ATOM 0 HA SER A 10 7.719 -5.270 9.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.084 -5.887 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.414 -4.512 6.998 1.00 0.00 H new ATOM 0 HG SER A 10 10.468 -4.031 7.960 1.00 0.00 H new ATOM 173 N ALA A 11 6.142 -3.114 7.891 1.00 0.00 N ATOM 174 CA ALA A 11 5.419 -1.833 7.826 1.00 0.00 C ATOM 175 C ALA A 11 4.244 -1.789 8.827 1.00 0.00 C ATOM 176 O ALA A 11 4.002 -0.756 9.444 1.00 0.00 O ATOM 177 CB ALA A 11 4.909 -1.591 6.396 1.00 0.00 C ATOM 0 H ALA A 11 6.124 -3.637 7.016 1.00 0.00 H new ATOM 0 HA ALA A 11 6.115 -1.041 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.375 -0.642 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.754 -1.561 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.235 -2.398 6.108 1.00 0.00 H new ATOM 183 N LEU A 12 3.560 -2.939 9.000 1.00 0.00 N ATOM 184 CA LEU A 12 2.355 -3.067 9.858 1.00 0.00 C ATOM 185 C LEU A 12 2.723 -2.847 11.340 1.00 0.00 C ATOM 186 O LEU A 12 1.980 -2.180 12.075 1.00 0.00 O ATOM 187 CB LEU A 12 1.675 -4.456 9.632 1.00 0.00 C ATOM 188 CG LEU A 12 0.120 -4.542 9.855 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.444 -5.867 9.303 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.296 -4.370 11.336 1.00 0.00 C ATOM 0 H LEU A 12 3.827 -3.813 8.547 1.00 0.00 H new ATOM 0 HA LEU A 12 1.636 -2.296 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.888 -4.774 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.152 -5.177 10.296 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.307 -3.705 9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.521 -5.902 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.240 -5.932 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.029 -6.705 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.381 -4.440 11.420 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.166 -5.154 11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.034 -3.395 11.696 1.00 0.00 H new ATOM 202 N ILE A 13 3.883 -3.399 11.759 1.00 0.00 N ATOM 203 CA ILE A 13 4.443 -3.167 13.110 1.00 0.00 C ATOM 204 C ILE A 13 4.616 -1.637 13.334 1.00 0.00 C ATOM 205 O ILE A 13 4.144 -1.090 14.329 1.00 0.00 O ATOM 206 CB ILE A 13 5.811 -3.961 13.356 1.00 0.00 C ATOM 207 CG1 ILE A 13 5.576 -5.468 13.731 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.684 -3.316 14.459 1.00 0.00 C ATOM 209 CD1 ILE A 13 4.883 -6.317 12.700 1.00 0.00 C ATOM 0 H ILE A 13 4.453 -4.012 11.177 1.00 0.00 H new ATOM 0 HA ILE A 13 3.741 -3.562 13.844 1.00 0.00 H new ATOM 0 HB ILE A 13 6.337 -3.905 12.403 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.543 -5.920 13.950 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.992 -5.503 14.651 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.599 -3.895 14.584 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.937 -2.295 14.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.132 -3.303 15.399 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.780 -7.335 13.076 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.895 -5.905 12.493 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.471 -6.327 11.782 1.00 0.00 H new ATOM 221 N ARG A 14 5.206 -0.951 12.335 1.00 0.00 N ATOM 222 CA ARG A 14 5.442 0.515 12.385 1.00 0.00 C ATOM 223 C ARG A 14 4.098 1.290 12.403 1.00 0.00 C ATOM 224 O ARG A 14 4.001 2.344 13.051 1.00 0.00 O ATOM 225 CB ARG A 14 6.335 0.996 11.194 1.00 0.00 C ATOM 226 CG ARG A 14 7.864 0.764 11.353 1.00 0.00 C ATOM 227 CD ARG A 14 8.257 -0.713 11.462 1.00 0.00 C ATOM 228 NE ARG A 14 9.723 -0.920 11.473 1.00 0.00 N ATOM 229 CZ ARG A 14 10.400 -1.679 12.352 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.798 -2.197 13.420 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.696 -1.883 12.177 1.00 0.00 N ATOM 0 H ARG A 14 5.532 -1.389 11.474 1.00 0.00 H new ATOM 0 HA ARG A 14 5.978 0.727 13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.003 0.489 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.163 2.062 11.044 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.380 1.206 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.211 1.289 12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.829 -1.131 12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.824 -1.262 10.626 1.00 0.00 H new ATOM 0 HE ARG A 14 10.266 -0.446 10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.807 -2.020 13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.328 -2.771 14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.175 -1.465 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.216 -2.458 12.840 1.00 0.00 H new ATOM 245 N ARG A 15 3.075 0.749 11.696 1.00 0.00 N ATOM 246 CA ARG A 15 1.730 1.356 11.611 1.00 0.00 C ATOM 247 C ARG A 15 1.073 1.453 13.002 1.00 0.00 C ATOM 248 O ARG A 15 0.502 2.497 13.356 1.00 0.00 O ATOM 249 CB ARG A 15 0.795 0.547 10.659 1.00 0.00 C ATOM 250 CG ARG A 15 1.158 0.590 9.154 1.00 0.00 C ATOM 251 CD ARG A 15 0.159 -0.218 8.288 1.00 0.00 C ATOM 252 NE ARG A 15 0.476 -0.181 6.842 1.00 0.00 N ATOM 253 CZ ARG A 15 -0.394 0.132 5.861 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.611 0.587 6.141 1.00 0.00 N ATOM 255 NH2 ARG A 15 -0.030 0.004 4.596 1.00 0.00 N ATOM 0 H ARG A 15 3.163 -0.120 11.170 1.00 0.00 H new ATOM 0 HA ARG A 15 1.864 2.359 11.206 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.793 -0.494 10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.222 0.920 10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.175 1.626 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.163 0.192 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.152 -1.255 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.846 0.174 8.443 1.00 0.00 H new ATOM 0 HE ARG A 15 1.431 -0.411 6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.901 0.705 7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.255 0.819 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.906 -0.330 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.685 0.240 3.850 1.00 0.00 H new ATOM 269 N VAL A 16 1.159 0.361 13.788 1.00 0.00 N ATOM 270 CA VAL A 16 0.490 0.288 15.101 1.00 0.00 C ATOM 271 C VAL A 16 1.210 1.170 16.142 1.00 0.00 C ATOM 272 O VAL A 16 0.559 1.778 16.979 1.00 0.00 O ATOM 273 CB VAL A 16 0.343 -1.185 15.645 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.241 -2.139 14.581 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.662 -1.733 16.192 1.00 0.00 C ATOM 0 H VAL A 16 1.682 -0.478 13.538 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.519 0.670 14.943 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.364 -1.133 16.473 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.325 -3.142 14.999 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.228 -1.788 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.417 -2.162 13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.511 -2.750 16.555 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.410 -1.738 15.400 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.006 -1.102 17.012 1.00 0.00 H new ATOM 285 N PHE A 17 2.558 1.241 16.068 1.00 0.00 N ATOM 286 CA PHE A 17 3.370 2.099 16.961 1.00 0.00 C ATOM 287 C PHE A 17 3.151 3.594 16.638 1.00 0.00 C ATOM 288 O PHE A 17 3.267 4.450 17.526 1.00 0.00 O ATOM 289 CB PHE A 17 4.880 1.714 16.900 1.00 0.00 C ATOM 290 CG PHE A 17 5.241 0.436 17.672 1.00 0.00 C ATOM 291 CD1 PHE A 17 5.377 0.459 19.062 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.430 -0.779 17.024 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.692 -0.689 19.764 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.741 -1.929 17.727 1.00 0.00 C ATOM 295 CZ PHE A 17 5.873 -1.882 19.095 1.00 0.00 C ATOM 0 H PHE A 17 3.110 0.710 15.394 1.00 0.00 H new ATOM 0 HA PHE A 17 3.036 1.929 17.984 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.168 1.587 15.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.470 2.541 17.295 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.234 1.387 19.596 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.332 -0.826 15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.797 -0.652 20.838 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.880 -2.863 17.202 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.118 -2.778 19.645 1.00 0.00 H new ATOM 305 N ALA A 18 2.821 3.892 15.362 1.00 0.00 N ATOM 306 CA ALA A 18 2.413 5.249 14.924 1.00 0.00 C ATOM 307 C ALA A 18 1.048 5.634 15.543 1.00 0.00 C ATOM 308 O ALA A 18 0.769 6.815 15.767 1.00 0.00 O ATOM 309 CB ALA A 18 2.357 5.327 13.388 1.00 0.00 C ATOM 0 H ALA A 18 2.829 3.204 14.609 1.00 0.00 H new ATOM 0 HA ALA A 18 3.159 5.962 15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.056 6.330 13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.341 5.104 12.976 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.634 4.603 13.013 1.00 0.00 H new ATOM 315 N ALA A 19 0.207 4.615 15.793 1.00 0.00 N ATOM 316 CA ALA A 19 -1.083 4.770 16.497 1.00 0.00 C ATOM 317 C ALA A 19 -0.884 4.777 18.035 1.00 0.00 C ATOM 318 O ALA A 19 -1.670 5.386 18.767 1.00 0.00 O ATOM 319 CB ALA A 19 -2.040 3.646 16.072 1.00 0.00 C ATOM 0 H ALA A 19 0.402 3.654 15.512 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.519 5.730 16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.991 3.762 16.592 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.206 3.697 14.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.603 2.680 16.326 1.00 0.00 H new ATOM 325 N GLY A 20 0.184 4.096 18.501 1.00 0.00 N ATOM 326 CA GLY A 20 0.506 3.976 19.933 1.00 0.00 C ATOM 327 C GLY A 20 0.530 2.531 20.430 1.00 0.00 C ATOM 328 O GLY A 20 1.094 2.251 21.496 1.00 0.00 O ATOM 0 H GLY A 20 0.846 3.615 17.892 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.478 4.433 20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.227 4.539 20.511 1.00 0.00 H new ATOM 332 N GLY A 21 -0.078 1.616 19.648 1.00 0.00 N ATOM 333 CA GLY A 21 -0.197 0.196 20.001 1.00 0.00 C ATOM 334 C GLY A 21 1.092 -0.606 19.794 1.00 0.00 C ATOM 335 O GLY A 21 2.132 -0.049 19.417 1.00 0.00 O ATOM 0 H GLY A 21 -0.501 1.848 18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.499 0.116 21.045 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.991 -0.251 19.404 1.00 0.00 H new ATOM 339 N PHE A 22 1.006 -1.928 20.014 1.00 0.00 N ATOM 340 CA PHE A 22 2.165 -2.856 19.979 1.00 0.00 C ATOM 341 C PHE A 22 1.946 -3.890 18.869 1.00 0.00 C ATOM 342 O PHE A 22 0.808 -4.138 18.471 1.00 0.00 O ATOM 343 CB PHE A 22 2.345 -3.560 21.359 1.00 0.00 C ATOM 344 CG PHE A 22 3.570 -4.487 21.455 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.841 -3.972 21.700 1.00 0.00 C ATOM 346 CD2 PHE A 22 3.453 -5.866 21.274 1.00 0.00 C ATOM 347 CE1 PHE A 22 5.946 -4.803 21.763 1.00 0.00 C ATOM 348 CE2 PHE A 22 4.556 -6.696 21.341 1.00 0.00 C ATOM 349 CZ PHE A 22 5.804 -6.163 21.582 1.00 0.00 C ATOM 0 H PHE A 22 0.124 -2.395 20.224 1.00 0.00 H new ATOM 0 HA PHE A 22 3.074 -2.292 19.772 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.423 -2.797 22.133 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.449 -4.142 21.574 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.966 -2.909 21.843 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.481 -6.293 21.078 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.923 -4.385 21.955 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.440 -7.761 21.205 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.669 -6.809 21.629 1.00 0.00 H new ATOM 359 N ALA A 23 3.051 -4.447 18.344 1.00 0.00 N ATOM 360 CA ALA A 23 3.020 -5.542 17.358 1.00 0.00 C ATOM 361 C ALA A 23 4.340 -6.312 17.358 1.00 0.00 C ATOM 362 O ALA A 23 5.343 -5.815 17.884 1.00 0.00 O ATOM 363 CB ALA A 23 2.708 -5.020 15.950 1.00 0.00 C ATOM 0 H ALA A 23 3.994 -4.149 18.592 1.00 0.00 H new ATOM 0 HA ALA A 23 2.220 -6.222 17.650 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.693 -5.854 15.248 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.735 -4.529 15.951 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.474 -4.306 15.649 1.00 0.00 H new ATOM 369 N ALA A 24 4.326 -7.517 16.742 1.00 0.00 N ATOM 370 CA ALA A 24 5.512 -8.388 16.627 1.00 0.00 C ATOM 371 C ALA A 24 5.217 -9.571 15.690 1.00 0.00 C ATOM 372 O ALA A 24 4.094 -10.096 15.676 1.00 0.00 O ATOM 373 CB ALA A 24 5.970 -8.894 18.007 1.00 0.00 C ATOM 0 H ALA A 24 3.489 -7.910 16.311 1.00 0.00 H new ATOM 0 HA ALA A 24 6.324 -7.797 16.203 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.845 -9.533 17.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.224 -8.044 18.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.165 -9.464 18.471 1.00 0.00 H new ATOM 379 N VAL A 25 6.232 -9.975 14.904 1.00 0.00 N ATOM 380 CA VAL A 25 6.124 -11.120 13.979 1.00 0.00 C ATOM 381 C VAL A 25 6.302 -12.443 14.758 1.00 0.00 C ATOM 382 O VAL A 25 7.418 -12.773 15.186 1.00 0.00 O ATOM 383 CB VAL A 25 7.185 -11.055 12.805 1.00 0.00 C ATOM 384 CG1 VAL A 25 6.816 -12.033 11.666 1.00 0.00 C ATOM 385 CG2 VAL A 25 7.374 -9.615 12.280 1.00 0.00 C ATOM 0 H VAL A 25 7.145 -9.521 14.891 1.00 0.00 H new ATOM 0 HA VAL A 25 5.132 -11.075 13.529 1.00 0.00 H new ATOM 0 HB VAL A 25 8.145 -11.371 13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.562 -11.967 10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.789 -13.051 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.837 -11.772 11.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.110 -9.615 11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.424 -9.238 11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.722 -8.975 13.091 1.00 0.00 H new ATOM 395 N GLU A 26 5.195 -13.164 14.967 1.00 0.00 N ATOM 396 CA GLU A 26 5.195 -14.469 15.644 1.00 0.00 C ATOM 397 C GLU A 26 5.710 -15.580 14.707 1.00 0.00 C ATOM 398 O GLU A 26 6.778 -16.162 14.941 1.00 0.00 O ATOM 399 CB GLU A 26 3.772 -14.787 16.179 1.00 0.00 C ATOM 400 CG GLU A 26 3.245 -13.749 17.190 1.00 0.00 C ATOM 401 CD GLU A 26 4.135 -13.634 18.443 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.975 -14.458 19.372 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.017 -12.743 18.492 1.00 0.00 O ATOM 0 H GLU A 26 4.268 -12.858 14.670 1.00 0.00 H new ATOM 0 HA GLU A 26 5.878 -14.425 16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.081 -14.845 15.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.782 -15.769 16.652 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.181 -12.775 16.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.234 -14.022 17.491 1.00 0.00 H new ATOM 410 N LYS A 27 4.952 -15.849 13.638 1.00 0.00 N ATOM 411 CA LYS A 27 5.311 -16.860 12.620 1.00 0.00 C ATOM 412 C LYS A 27 5.867 -16.151 11.377 1.00 0.00 C ATOM 413 O LYS A 27 5.426 -15.048 11.033 1.00 0.00 O ATOM 414 CB LYS A 27 4.062 -17.718 12.267 1.00 0.00 C ATOM 415 CG LYS A 27 4.246 -18.731 11.116 1.00 0.00 C ATOM 416 CD LYS A 27 2.983 -19.595 10.851 1.00 0.00 C ATOM 417 CE LYS A 27 3.148 -20.545 9.649 1.00 0.00 C ATOM 418 NZ LYS A 27 4.298 -21.475 9.803 1.00 0.00 N ATOM 0 H LYS A 27 4.069 -15.374 13.448 1.00 0.00 H new ATOM 0 HA LYS A 27 6.079 -17.527 13.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.755 -18.263 13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.244 -17.046 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.507 -18.192 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.084 -19.387 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.756 -20.180 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.131 -18.939 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.233 -21.124 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.282 -19.956 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.351 -22.101 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.179 -20.928 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.169 -22.047 10.662 1.00 0.00 H new ATOM 432 N LYS A 28 6.834 -16.800 10.711 1.00 0.00 N ATOM 433 CA LYS A 28 7.506 -16.266 9.517 1.00 0.00 C ATOM 434 C LYS A 28 7.550 -17.344 8.421 1.00 0.00 C ATOM 435 O LYS A 28 8.002 -18.467 8.674 1.00 0.00 O ATOM 436 CB LYS A 28 8.940 -15.784 9.890 1.00 0.00 C ATOM 437 CG LYS A 28 9.770 -15.241 8.703 1.00 0.00 C ATOM 438 CD LYS A 28 11.098 -14.577 9.139 1.00 0.00 C ATOM 439 CE LYS A 28 11.896 -14.007 7.950 1.00 0.00 C ATOM 440 NZ LYS A 28 13.172 -13.379 8.378 1.00 0.00 N ATOM 0 H LYS A 28 7.175 -17.720 10.989 1.00 0.00 H new ATOM 0 HA LYS A 28 6.949 -15.411 9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.861 -15.004 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.481 -16.614 10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.989 -16.059 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.172 -14.515 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.884 -13.775 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.710 -15.310 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.107 -14.807 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.288 -13.269 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.674 -13.010 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.971 -12.598 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.766 -14.088 8.854 1.00 0.00 H new ATOM 454 N GLY A 29 7.062 -16.998 7.216 1.00 0.00 N ATOM 455 CA GLY A 29 7.073 -17.903 6.063 1.00 0.00 C ATOM 456 C GLY A 29 7.762 -17.290 4.847 1.00 0.00 C ATOM 457 O GLY A 29 8.864 -16.739 4.976 1.00 0.00 O ATOM 0 H GLY A 29 6.651 -16.085 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.580 -18.828 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.048 -18.166 5.802 1.00 0.00 H new ATOM 461 N ALA A 30 7.109 -17.367 3.671 1.00 0.00 N ATOM 462 CA ALA A 30 7.669 -16.874 2.396 1.00 0.00 C ATOM 463 C ALA A 30 7.529 -15.348 2.298 1.00 0.00 C ATOM 464 O ALA A 30 6.444 -14.800 2.512 1.00 0.00 O ATOM 465 CB ALA A 30 6.989 -17.566 1.203 1.00 0.00 C ATOM 0 H ALA A 30 6.178 -17.773 3.578 1.00 0.00 H new ATOM 0 HA ALA A 30 8.731 -17.118 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.415 -17.190 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.150 -18.642 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.919 -17.357 1.223 1.00 0.00 H new ATOM 471 N GLU A 31 8.636 -14.674 1.959 1.00 0.00 N ATOM 472 CA GLU A 31 8.728 -13.210 2.004 1.00 0.00 C ATOM 473 C GLU A 31 7.902 -12.538 0.892 1.00 0.00 C ATOM 474 O GLU A 31 7.283 -11.512 1.122 1.00 0.00 O ATOM 475 CB GLU A 31 10.207 -12.765 1.928 1.00 0.00 C ATOM 476 CG GLU A 31 11.098 -13.347 3.044 1.00 0.00 C ATOM 477 CD GLU A 31 12.520 -12.756 3.049 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.296 -13.037 2.102 1.00 0.00 O ATOM 479 OE2 GLU A 31 12.861 -11.996 3.982 1.00 0.00 O ATOM 0 H GLU A 31 9.493 -15.129 1.646 1.00 0.00 H new ATOM 0 HA GLU A 31 8.305 -12.886 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.615 -13.060 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.251 -11.677 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.629 -13.160 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.161 -14.429 2.924 1.00 0.00 H new ATOM 486 N ALA A 32 7.932 -13.099 -0.316 1.00 0.00 N ATOM 487 CA ALA A 32 7.134 -12.606 -1.461 1.00 0.00 C ATOM 488 C ALA A 32 5.808 -13.379 -1.587 1.00 0.00 C ATOM 489 O ALA A 32 4.724 -12.788 -1.593 1.00 0.00 O ATOM 490 CB ALA A 32 7.955 -12.715 -2.759 1.00 0.00 C ATOM 0 H ALA A 32 8.508 -13.910 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 32 6.890 -11.558 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.361 -12.350 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.861 -12.115 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.225 -13.757 -2.932 1.00 0.00 H new ATOM 496 N ALA A 33 5.922 -14.715 -1.637 1.00 0.00 N ATOM 497 CA ALA A 33 4.814 -15.627 -2.002 1.00 0.00 C ATOM 498 C ALA A 33 3.885 -15.969 -0.816 1.00 0.00 C ATOM 499 O ALA A 33 2.838 -16.603 -1.015 1.00 0.00 O ATOM 500 CB ALA A 33 5.405 -16.914 -2.603 1.00 0.00 C ATOM 0 H ALA A 33 6.792 -15.203 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 33 4.192 -15.109 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.597 -17.593 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.986 -16.667 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.051 -17.395 -1.869 1.00 0.00 H new ATOM 506 N GLY A 34 4.275 -15.554 0.400 1.00 0.00 N ATOM 507 CA GLY A 34 3.571 -15.939 1.628 1.00 0.00 C ATOM 508 C GLY A 34 2.244 -15.219 1.850 1.00 0.00 C ATOM 509 O GLY A 34 2.019 -14.121 1.324 1.00 0.00 O ATOM 0 H GLY A 34 5.080 -14.948 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.387 -17.013 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.222 -15.745 2.481 1.00 0.00 H new ATOM 513 N ALA A 35 1.361 -15.859 2.625 1.00 0.00 N ATOM 514 CA ALA A 35 0.112 -15.257 3.112 1.00 0.00 C ATOM 515 C ALA A 35 0.394 -14.519 4.439 1.00 0.00 C ATOM 516 O ALA A 35 1.396 -14.797 5.097 1.00 0.00 O ATOM 517 CB ALA A 35 -0.942 -16.365 3.289 1.00 0.00 C ATOM 0 H ALA A 35 1.494 -16.821 2.936 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.275 -14.532 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.873 -15.927 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.119 -16.855 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.582 -17.098 4.011 1.00 0.00 H new ATOM 523 N ILE A 36 -0.466 -13.553 4.825 1.00 0.00 N ATOM 524 CA ILE A 36 -0.294 -12.790 6.087 1.00 0.00 C ATOM 525 C ILE A 36 -1.579 -12.884 6.920 1.00 0.00 C ATOM 526 O ILE A 36 -2.663 -12.549 6.437 1.00 0.00 O ATOM 527 CB ILE A 36 0.049 -11.270 5.840 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.251 -11.088 4.858 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.324 -10.530 7.183 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.539 -11.733 5.324 1.00 0.00 C ATOM 0 H ILE A 36 -1.287 -13.281 4.284 1.00 0.00 H new ATOM 0 HA ILE A 36 0.548 -13.234 6.618 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.827 -10.823 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.979 -11.505 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.425 -10.022 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.558 -9.485 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.560 -10.588 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.167 -10.999 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.321 -11.559 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.839 -11.299 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.386 -12.805 5.445 1.00 0.00 H new ATOM 542 N PHE A 37 -1.439 -13.343 8.172 1.00 0.00 N ATOM 543 CA PHE A 37 -2.541 -13.511 9.121 1.00 0.00 C ATOM 544 C PHE A 37 -2.193 -12.784 10.421 1.00 0.00 C ATOM 545 O PHE A 37 -1.253 -13.156 11.128 1.00 0.00 O ATOM 546 CB PHE A 37 -2.826 -15.016 9.369 1.00 0.00 C ATOM 547 CG PHE A 37 -3.480 -15.697 8.172 1.00 0.00 C ATOM 548 CD1 PHE A 37 -2.714 -16.204 7.126 1.00 0.00 C ATOM 549 CD2 PHE A 37 -4.867 -15.786 8.074 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.309 -16.779 6.024 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.458 -16.364 6.975 1.00 0.00 C ATOM 552 CZ PHE A 37 -4.681 -16.858 5.948 1.00 0.00 C ATOM 0 H PHE A 37 -0.534 -13.613 8.558 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.451 -13.077 8.708 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.891 -15.524 9.605 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.474 -15.120 10.239 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.637 -16.146 7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.485 -15.397 8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.700 -17.167 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.534 -16.431 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.149 -17.307 5.084 1.00 0.00 H new ATOM 562 N VAL A 38 -2.957 -11.730 10.721 1.00 0.00 N ATOM 563 CA VAL A 38 -2.709 -10.845 11.868 1.00 0.00 C ATOM 564 C VAL A 38 -3.787 -11.088 12.932 1.00 0.00 C ATOM 565 O VAL A 38 -4.967 -11.136 12.608 1.00 0.00 O ATOM 566 CB VAL A 38 -2.724 -9.334 11.411 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.323 -8.390 12.562 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.815 -9.115 10.182 1.00 0.00 C ATOM 0 H VAL A 38 -3.773 -11.463 10.171 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.727 -11.064 12.287 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.747 -9.092 11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.344 -7.358 12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.024 -8.506 13.389 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.317 -8.637 12.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.845 -8.065 9.890 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.791 -9.393 10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.166 -9.732 9.355 1.00 0.00 H new ATOM 578 N ARG A 39 -3.380 -11.248 14.192 1.00 0.00 N ATOM 579 CA ARG A 39 -4.301 -11.427 15.323 1.00 0.00 C ATOM 580 C ARG A 39 -4.341 -10.124 16.136 1.00 0.00 C ATOM 581 O ARG A 39 -3.334 -9.423 16.249 1.00 0.00 O ATOM 582 CB ARG A 39 -3.856 -12.627 16.200 1.00 0.00 C ATOM 583 CG ARG A 39 -2.525 -12.433 16.959 1.00 0.00 C ATOM 584 CD ARG A 39 -2.061 -13.694 17.719 1.00 0.00 C ATOM 585 NE ARG A 39 -3.138 -14.363 18.487 1.00 0.00 N ATOM 586 CZ ARG A 39 -3.766 -13.895 19.585 1.00 0.00 C ATOM 587 NH1 ARG A 39 -3.530 -12.676 20.066 1.00 0.00 N ATOM 588 NH2 ARG A 39 -4.655 -14.669 20.181 1.00 0.00 N ATOM 0 H ARG A 39 -2.396 -11.258 14.462 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.303 -11.649 14.956 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.642 -12.836 16.926 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.767 -13.507 15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.751 -12.140 16.250 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.636 -11.612 17.667 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.643 -14.403 17.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.258 -13.419 18.403 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.437 -15.277 18.148 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.857 -12.066 19.602 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.022 -12.352 20.899 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.853 -15.598 19.809 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.143 -14.338 21.013 1.00 0.00 H new ATOM 602 N GLN A 40 -5.508 -9.827 16.701 1.00 0.00 N ATOM 603 CA GLN A 40 -5.825 -8.536 17.337 1.00 0.00 C ATOM 604 C GLN A 40 -6.389 -8.777 18.739 1.00 0.00 C ATOM 605 O GLN A 40 -7.067 -9.778 18.962 1.00 0.00 O ATOM 606 CB GLN A 40 -6.845 -7.803 16.426 1.00 0.00 C ATOM 607 CG GLN A 40 -7.612 -6.592 17.000 1.00 0.00 C ATOM 608 CD GLN A 40 -6.768 -5.347 17.291 1.00 0.00 C ATOM 609 OE1 GLN A 40 -5.600 -5.428 17.664 1.00 0.00 O ATOM 610 NE2 GLN A 40 -7.360 -4.175 17.095 1.00 0.00 N ATOM 0 H GLN A 40 -6.284 -10.489 16.734 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.934 -7.919 17.450 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.312 -7.466 15.537 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.582 -8.536 16.097 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.399 -6.318 16.298 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.102 -6.900 17.924 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.331 -4.140 16.785 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.844 -3.310 17.254 1.00 0.00 H new ATOM 619 N ARG A 41 -6.101 -7.858 19.676 1.00 0.00 N ATOM 620 CA ARG A 41 -6.590 -7.945 21.062 1.00 0.00 C ATOM 621 C ARG A 41 -7.325 -6.648 21.434 1.00 0.00 C ATOM 622 O ARG A 41 -6.736 -5.567 21.388 1.00 0.00 O ATOM 623 CB ARG A 41 -5.416 -8.201 22.036 1.00 0.00 C ATOM 624 CG ARG A 41 -5.867 -8.562 23.468 1.00 0.00 C ATOM 625 CD ARG A 41 -4.694 -8.829 24.421 1.00 0.00 C ATOM 626 NE ARG A 41 -5.153 -9.432 25.688 1.00 0.00 N ATOM 627 CZ ARG A 41 -4.480 -10.346 26.403 1.00 0.00 C ATOM 628 NH1 ARG A 41 -3.277 -10.761 26.020 1.00 0.00 N ATOM 629 NH2 ARG A 41 -5.021 -10.837 27.505 1.00 0.00 N ATOM 0 H ARG A 41 -5.524 -7.036 19.495 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.285 -8.781 21.141 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.799 -9.010 21.644 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.787 -7.311 22.076 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.473 -7.749 23.867 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.504 -9.446 23.430 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.977 -9.493 23.939 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.173 -7.894 24.629 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.057 -9.128 26.050 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.853 -10.384 25.172 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.777 -11.457 26.574 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.943 -10.520 27.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.516 -11.532 28.055 1.00 0.00 H new ATOM 643 N LEU A 42 -8.611 -6.779 21.801 1.00 0.00 N ATOM 644 CA LEU A 42 -9.480 -5.642 22.166 1.00 0.00 C ATOM 645 C LEU A 42 -9.647 -5.541 23.698 1.00 0.00 C ATOM 646 O LEU A 42 -9.568 -6.543 24.423 1.00 0.00 O ATOM 647 CB LEU A 42 -10.891 -5.769 21.495 1.00 0.00 C ATOM 648 CG LEU A 42 -10.958 -5.731 19.928 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.191 -4.519 19.355 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.501 -7.064 19.288 1.00 0.00 C ATOM 0 H LEU A 42 -9.082 -7.682 21.854 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.996 -4.736 21.801 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.338 -6.706 21.827 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.518 -4.964 21.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.007 -5.604 19.659 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.260 -4.526 18.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.627 -3.597 19.740 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.144 -4.577 19.653 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.565 -6.987 18.203 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.471 -7.272 19.577 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.145 -7.873 19.634 1.00 0.00 H new ATOM 662 N ARG A 43 -9.895 -4.301 24.161 1.00 0.00 N ATOM 663 CA ARG A 43 -10.282 -3.973 25.557 1.00 0.00 C ATOM 664 C ARG A 43 -11.479 -4.807 26.076 1.00 0.00 C ATOM 665 O ARG A 43 -11.608 -5.027 27.287 1.00 0.00 O ATOM 666 CB ARG A 43 -10.628 -2.454 25.691 1.00 0.00 C ATOM 667 CG ARG A 43 -11.892 -1.969 24.912 1.00 0.00 C ATOM 668 CD ARG A 43 -11.670 -1.832 23.392 1.00 0.00 C ATOM 669 NE ARG A 43 -12.922 -1.580 22.646 1.00 0.00 N ATOM 670 CZ ARG A 43 -13.014 -0.874 21.511 1.00 0.00 C ATOM 671 NH1 ARG A 43 -11.989 -0.157 21.076 1.00 0.00 N ATOM 672 NH2 ARG A 43 -14.153 -0.854 20.838 1.00 0.00 N ATOM 0 H ARG A 43 -9.832 -3.476 23.565 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.416 -4.223 26.170 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.767 -2.225 26.748 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.770 -1.875 25.349 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.708 -2.670 25.089 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.207 -1.005 25.312 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.971 -1.017 23.204 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.206 -2.743 23.015 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.783 -1.975 23.025 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.118 -0.138 21.606 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.071 0.377 20.210 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.959 -1.375 21.184 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.225 -0.317 19.974 1.00 0.00 H new ATOM 686 N ASP A 44 -12.341 -5.257 25.144 1.00 0.00 N ATOM 687 CA ASP A 44 -13.579 -6.018 25.448 1.00 0.00 C ATOM 688 C ASP A 44 -13.280 -7.429 25.988 1.00 0.00 C ATOM 689 O ASP A 44 -14.179 -8.093 26.512 1.00 0.00 O ATOM 690 CB ASP A 44 -14.451 -6.134 24.166 1.00 0.00 C ATOM 691 CG ASP A 44 -14.766 -4.768 23.539 1.00 0.00 C ATOM 692 OD1 ASP A 44 -13.937 -4.264 22.754 1.00 0.00 O ATOM 693 OD2 ASP A 44 -15.830 -4.184 23.835 1.00 0.00 O ATOM 0 H ASP A 44 -12.200 -5.103 24.146 1.00 0.00 H new ATOM 0 HA ASP A 44 -14.114 -5.471 26.225 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.934 -6.755 23.434 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.384 -6.641 24.411 1.00 0.00 H new ATOM 698 N GLY A 45 -12.020 -7.875 25.849 1.00 0.00 N ATOM 699 CA GLY A 45 -11.640 -9.256 26.142 1.00 0.00 C ATOM 700 C GLY A 45 -11.900 -10.161 24.948 1.00 0.00 C ATOM 701 O GLY A 45 -11.935 -11.385 25.070 1.00 0.00 O ATOM 0 H GLY A 45 -11.247 -7.290 25.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.584 -9.297 26.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.202 -9.616 27.004 1.00 0.00 H new ATOM 705 N ARG A 46 -12.104 -9.533 23.778 1.00 0.00 N ATOM 706 CA ARG A 46 -12.341 -10.229 22.507 1.00 0.00 C ATOM 707 C ARG A 46 -11.120 -10.075 21.613 1.00 0.00 C ATOM 708 O ARG A 46 -10.278 -9.206 21.845 1.00 0.00 O ATOM 709 CB ARG A 46 -13.606 -9.686 21.800 1.00 0.00 C ATOM 710 CG ARG A 46 -14.917 -9.876 22.596 1.00 0.00 C ATOM 711 CD ARG A 46 -15.161 -11.347 22.986 1.00 0.00 C ATOM 712 NE ARG A 46 -16.506 -11.552 23.558 1.00 0.00 N ATOM 713 CZ ARG A 46 -16.970 -12.703 24.070 1.00 0.00 C ATOM 714 NH1 ARG A 46 -16.193 -13.779 24.177 1.00 0.00 N ATOM 715 NH2 ARG A 46 -18.225 -12.768 24.483 1.00 0.00 N ATOM 0 H ARG A 46 -12.109 -8.517 23.690 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.508 -11.286 22.711 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.468 -8.623 21.601 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.707 -10.181 20.834 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.883 -9.265 23.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.756 -9.517 22.000 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.041 -11.980 22.107 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.408 -11.660 23.709 1.00 0.00 H new ATOM 0 HE ARG A 46 -17.137 -10.751 23.565 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.222 -13.740 23.867 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.569 -14.642 24.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.829 -11.949 24.411 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.589 -13.637 24.874 1.00 0.00 H new ATOM 729 N GLU A 47 -11.045 -10.917 20.584 1.00 0.00 N ATOM 730 CA GLU A 47 -9.884 -11.026 19.703 1.00 0.00 C ATOM 731 C GLU A 47 -10.350 -11.206 18.260 1.00 0.00 C ATOM 732 O GLU A 47 -11.440 -11.733 18.004 1.00 0.00 O ATOM 733 CB GLU A 47 -8.971 -12.203 20.176 1.00 0.00 C ATOM 734 CG GLU A 47 -8.160 -11.878 21.461 1.00 0.00 C ATOM 735 CD GLU A 47 -7.681 -13.106 22.234 1.00 0.00 C ATOM 736 OE1 GLU A 47 -8.469 -13.651 23.045 1.00 0.00 O ATOM 737 OE2 GLU A 47 -6.532 -13.547 22.027 1.00 0.00 O ATOM 0 H GLU A 47 -11.802 -11.553 20.335 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.292 -10.112 19.748 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.589 -13.082 20.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.279 -12.461 19.374 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.294 -11.276 21.186 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.777 -11.267 22.120 1.00 0.00 H new ATOM 744 N ASN A 48 -9.549 -10.682 17.319 1.00 0.00 N ATOM 745 CA ASN A 48 -9.810 -10.786 15.867 1.00 0.00 C ATOM 746 C ASN A 48 -8.653 -11.515 15.165 1.00 0.00 C ATOM 747 O ASN A 48 -7.583 -11.729 15.744 1.00 0.00 O ATOM 748 CB ASN A 48 -10.009 -9.379 15.209 1.00 0.00 C ATOM 749 CG ASN A 48 -11.357 -8.683 15.457 1.00 0.00 C ATOM 750 OD1 ASN A 48 -11.865 -7.970 14.585 1.00 0.00 O ATOM 751 ND2 ASN A 48 -11.935 -8.836 16.637 1.00 0.00 N ATOM 0 H ASN A 48 -8.695 -10.170 17.541 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.732 -11.355 15.746 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.216 -8.722 15.566 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.874 -9.485 14.133 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.815 -8.361 16.839 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.501 -9.429 17.345 1.00 0.00 H new ATOM 758 N LEU A 49 -8.890 -11.868 13.901 1.00 0.00 N ATOM 759 CA LEU A 49 -7.913 -12.493 13.010 1.00 0.00 C ATOM 760 C LEU A 49 -8.146 -11.887 11.628 1.00 0.00 C ATOM 761 O LEU A 49 -9.289 -11.620 11.258 1.00 0.00 O ATOM 762 CB LEU A 49 -8.067 -14.049 12.977 1.00 0.00 C ATOM 763 CG LEU A 49 -6.741 -14.883 12.905 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.018 -16.393 12.993 1.00 0.00 C ATOM 765 CD2 LEU A 49 -5.908 -14.567 11.644 1.00 0.00 C ATOM 0 H LEU A 49 -9.796 -11.722 13.456 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.898 -12.305 13.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.615 -14.356 13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.683 -14.313 12.117 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.151 -14.585 13.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.076 -16.939 12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.515 -16.617 13.937 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.659 -16.694 12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.001 -15.172 11.646 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.495 -14.795 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.639 -13.511 11.641 1.00 0.00 H new ATOM 777 N TYR A 50 -7.069 -11.642 10.890 1.00 0.00 N ATOM 778 CA TYR A 50 -7.106 -11.016 9.563 1.00 0.00 C ATOM 779 C TYR A 50 -6.358 -11.896 8.568 1.00 0.00 C ATOM 780 O TYR A 50 -5.498 -12.674 8.968 1.00 0.00 O ATOM 781 CB TYR A 50 -6.489 -9.594 9.641 1.00 0.00 C ATOM 782 CG TYR A 50 -7.128 -8.754 10.753 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.457 -8.343 10.660 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.436 -8.430 11.919 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.062 -7.636 11.673 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.040 -7.718 12.925 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.354 -7.328 12.801 1.00 0.00 C ATOM 788 OH TYR A 50 -8.966 -6.616 13.814 1.00 0.00 O ATOM 0 H TYR A 50 -6.125 -11.875 11.199 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.137 -10.917 9.223 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.416 -9.673 9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.619 -9.089 8.684 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.024 -8.585 9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.409 -8.744 12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.092 -7.326 11.578 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.483 -7.464 13.815 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.887 -6.932 13.926 1.00 0.00 H new ATOM 798 N GLY A 51 -6.701 -11.778 7.286 1.00 0.00 N ATOM 799 CA GLY A 51 -6.084 -12.574 6.225 1.00 0.00 C ATOM 800 C GLY A 51 -6.039 -11.818 4.908 1.00 0.00 C ATOM 801 O GLY A 51 -6.675 -10.766 4.797 1.00 0.00 O ATOM 0 H GLY A 51 -7.414 -11.129 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.072 -12.851 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.643 -13.501 6.094 1.00 0.00 H new ATOM 805 N PRO A 52 -5.289 -12.314 3.881 1.00 0.00 N ATOM 806 CA PRO A 52 -5.245 -11.666 2.555 1.00 0.00 C ATOM 807 C PRO A 52 -6.593 -11.847 1.813 1.00 0.00 C ATOM 808 O PRO A 52 -6.975 -12.975 1.468 1.00 0.00 O ATOM 809 CB PRO A 52 -4.066 -12.382 1.845 1.00 0.00 C ATOM 810 CG PRO A 52 -3.990 -13.733 2.494 1.00 0.00 C ATOM 811 CD PRO A 52 -4.434 -13.536 3.930 1.00 0.00 C ATOM 0 HA PRO A 52 -5.097 -10.587 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.243 -12.468 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.135 -11.830 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.634 -14.448 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.976 -14.129 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.991 -14.398 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.582 -13.400 4.596 1.00 0.00 H new ATOM 819 N ALA A 53 -7.329 -10.732 1.621 1.00 0.00 N ATOM 820 CA ALA A 53 -8.660 -10.753 0.989 1.00 0.00 C ATOM 821 C ALA A 53 -8.552 -11.102 -0.515 1.00 0.00 C ATOM 822 O ALA A 53 -7.634 -10.612 -1.193 1.00 0.00 O ATOM 823 CB ALA A 53 -9.366 -9.406 1.197 1.00 0.00 C ATOM 0 H ALA A 53 -7.019 -9.801 1.898 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.259 -11.530 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.348 -9.434 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.481 -9.216 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.771 -8.610 0.749 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.711 -2.785 -3.972 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.777 -3.065 -2.527 1.00 0.00 C ATOM 1024 C GLU A 67 -3.002 -3.956 -2.231 1.00 0.00 C ATOM 1025 O GLU A 67 -4.143 -3.472 -2.178 1.00 0.00 O ATOM 1026 CB GLU A 67 -1.845 -1.765 -1.674 1.00 0.00 C ATOM 1027 CG GLU A 67 -1.941 -2.027 -0.145 1.00 0.00 C ATOM 1028 CD GLU A 67 -2.148 -0.762 0.710 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -3.131 -0.033 0.471 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -1.342 -0.503 1.636 1.00 0.00 O ATOM 0 HA GLU A 67 -0.860 -3.584 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.960 -1.162 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.709 -1.179 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.766 -2.715 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.029 -2.526 0.183 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.748 -5.266 -2.125 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.725 -6.263 -1.649 1.00 0.00 C ATOM 1039 C ARG A 68 -4.277 -5.863 -0.262 1.00 0.00 C ATOM 1040 O ARG A 68 -3.515 -5.694 0.705 1.00 0.00 O ATOM 1041 CB ARG A 68 -3.056 -7.670 -1.609 1.00 0.00 C ATOM 1042 CG ARG A 68 -1.673 -7.690 -0.928 1.00 0.00 C ATOM 1043 CD ARG A 68 -0.947 -9.039 -1.041 1.00 0.00 C ATOM 1044 NE ARG A 68 0.479 -8.873 -0.728 1.00 0.00 N ATOM 1045 CZ ARG A 68 1.313 -9.823 -0.313 1.00 0.00 C ATOM 1046 NH1 ARG A 68 0.887 -11.048 -0.013 1.00 0.00 N ATOM 1047 NH2 ARG A 68 2.578 -9.528 -0.175 1.00 0.00 N ATOM 0 H ARG A 68 -1.845 -5.673 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.568 -6.300 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.717 -8.360 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.952 -8.040 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.049 -6.914 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.793 -7.440 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.396 -9.760 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.062 -9.439 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 68 0.868 -7.937 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.103 -11.279 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.550 -11.756 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.908 -8.586 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.236 -10.240 0.142 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.598 -5.658 -0.196 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.295 -5.300 1.029 1.00 0.00 C ATOM 1063 C ARG A 69 -6.592 -6.581 1.809 1.00 0.00 C ATOM 1064 O ARG A 69 -6.624 -7.681 1.233 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.585 -4.523 0.656 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.300 -3.824 1.833 1.00 0.00 C ATOM 1067 CD ARG A 69 -9.287 -2.733 1.367 1.00 0.00 C ATOM 1068 NE ARG A 69 -8.578 -1.628 0.684 1.00 0.00 N ATOM 1069 CZ ARG A 69 -9.063 -0.393 0.471 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -10.274 -0.053 0.881 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -8.318 0.498 -0.154 1.00 0.00 N ATOM 0 H ARG A 69 -6.213 -5.739 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.689 -4.653 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.333 -3.771 -0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.284 -5.216 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.838 -4.569 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.555 -3.377 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.023 -3.169 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.834 -2.343 2.225 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.636 -1.821 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.857 -0.733 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.624 0.890 0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.382 0.247 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.678 1.438 -0.320 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.791 -6.447 3.115 1.00 0.00 N ATOM 1086 CA PHE A 70 -7.032 -7.587 3.999 1.00 0.00 C ATOM 1087 C PHE A 70 -8.518 -7.733 4.282 1.00 0.00 C ATOM 1088 O PHE A 70 -9.329 -6.933 3.838 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.210 -7.424 5.313 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.752 -7.843 5.180 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.967 -7.376 4.125 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.175 -8.729 6.088 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.661 -7.780 3.982 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.868 -9.124 5.949 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.112 -8.653 4.893 1.00 0.00 C ATOM 0 H PHE A 70 -6.790 -5.546 3.593 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.701 -8.501 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.252 -6.382 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.678 -8.016 6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.392 -6.687 3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.763 -9.109 6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.068 -7.413 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.430 -9.803 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.086 -8.971 4.782 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.844 -8.812 4.968 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.186 -9.131 5.440 1.00 0.00 C ATOM 1107 C GLU A 71 -10.079 -9.543 6.899 1.00 0.00 C ATOM 1108 O GLU A 71 -8.977 -9.782 7.398 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.799 -10.292 4.626 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.979 -11.603 4.668 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.752 -12.800 4.119 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -10.701 -13.050 2.898 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.431 -13.493 4.911 1.00 0.00 O ATOM 0 H GLU A 71 -8.157 -9.521 5.224 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.830 -8.260 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.802 -10.493 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.904 -9.976 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.063 -11.472 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.682 -11.808 5.697 1.00 0.00 H new ATOM 1120 N THR A 72 -11.210 -9.636 7.574 1.00 0.00 N ATOM 1121 CA THR A 72 -11.276 -10.117 8.943 1.00 0.00 C ATOM 1122 C THR A 72 -11.730 -11.588 8.929 1.00 0.00 C ATOM 1123 O THR A 72 -12.893 -11.877 8.621 1.00 0.00 O ATOM 1124 CB THR A 72 -12.229 -9.217 9.787 1.00 0.00 C ATOM 1125 OG1 THR A 72 -11.824 -7.857 9.611 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.207 -9.552 11.282 1.00 0.00 C ATOM 0 H THR A 72 -12.117 -9.378 7.185 1.00 0.00 H new ATOM 0 HA THR A 72 -10.293 -10.063 9.411 1.00 0.00 H new ATOM 0 HB THR A 72 -13.247 -9.391 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.197 -7.510 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.891 -8.890 11.813 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.517 -10.587 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.197 -9.417 11.670 1.00 0.00 H new ATOM 1134 N ARG A 73 -10.779 -12.512 9.192 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.043 -13.958 9.283 1.00 0.00 C ATOM 1136 C ARG A 73 -11.993 -14.250 10.456 1.00 0.00 C ATOM 1137 O ARG A 73 -13.058 -14.835 10.273 1.00 0.00 O ATOM 1138 CB ARG A 73 -9.705 -14.741 9.457 1.00 0.00 C ATOM 1139 CG ARG A 73 -8.861 -14.911 8.174 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.583 -15.754 7.096 1.00 0.00 C ATOM 1141 NE ARG A 73 -8.637 -16.381 6.149 1.00 0.00 N ATOM 1142 CZ ARG A 73 -8.722 -16.357 4.813 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -9.715 -15.739 4.206 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -7.816 -16.990 4.093 1.00 0.00 N ATOM 0 H ARG A 73 -9.801 -12.269 9.348 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.519 -14.288 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.099 -14.228 10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.932 -15.730 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.626 -13.928 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.913 -15.386 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.176 -16.529 7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.277 -15.119 6.546 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.844 -16.880 6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.435 -15.269 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.764 -15.731 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.058 -17.493 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.873 -16.977 3.075 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.581 -13.838 11.662 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.365 -14.033 12.902 1.00 0.00 C ATOM 1160 C LEU A 74 -12.556 -12.688 13.610 1.00 0.00 C ATOM 1161 O LEU A 74 -11.725 -11.803 13.469 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.630 -15.035 13.824 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.437 -16.471 13.240 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.459 -17.292 14.094 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -12.794 -17.201 13.089 1.00 0.00 C ATOM 0 H LEU A 74 -10.693 -13.358 11.812 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.347 -14.437 12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.649 -14.626 14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.183 -15.114 14.760 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.003 -16.367 12.246 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.345 -18.286 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.490 -16.794 14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.847 -17.379 15.109 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.627 -18.198 12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.273 -17.284 14.065 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.438 -16.636 12.416 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.653 -12.544 14.369 1.00 0.00 N ATOM 1178 CA ALA A 75 -13.977 -11.301 15.085 1.00 0.00 C ATOM 1179 C ALA A 75 -14.880 -11.592 16.285 1.00 0.00 C ATOM 1180 O ALA A 75 -15.808 -12.403 16.178 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.635 -10.286 14.135 1.00 0.00 C ATOM 0 H ALA A 75 -14.340 -13.286 14.504 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.050 -10.865 15.457 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.868 -9.373 14.683 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.951 -10.055 13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.554 -10.710 13.730 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.594 -10.922 17.422 1.00 0.00 N ATOM 1188 CA GLY A 76 -15.364 -11.095 18.661 1.00 0.00 C ATOM 1189 C GLY A 76 -15.214 -12.480 19.274 1.00 0.00 C ATOM 1190 O GLY A 76 -16.089 -12.943 20.015 1.00 0.00 O ATOM 0 H GLY A 76 -13.828 -10.253 17.502 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.044 -10.347 19.387 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.418 -10.909 18.455 1.00 0.00 H new ATOM 1194 N VAL A 77 -14.077 -13.123 18.978 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.785 -14.504 19.393 1.00 0.00 C ATOM 1196 C VAL A 77 -12.701 -14.498 20.489 1.00 0.00 C ATOM 1197 O VAL A 77 -12.371 -13.436 21.033 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.326 -15.379 18.160 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.429 -15.466 17.078 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -12.001 -14.856 17.553 1.00 0.00 C ATOM 0 H VAL A 77 -13.325 -12.695 18.438 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.695 -14.949 19.795 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.148 -16.387 18.535 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.076 -16.076 16.246 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.323 -15.919 17.506 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.666 -14.465 16.719 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.716 -15.482 16.707 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.136 -13.829 17.215 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.217 -14.889 18.309 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.170 -15.687 20.831 1.00 0.00 N ATOM 1211 CA GLU A 78 -11.055 -15.830 21.787 1.00 0.00 C ATOM 1212 C GLU A 78 -9.780 -16.305 21.060 1.00 0.00 C ATOM 1213 O GLU A 78 -9.837 -16.700 19.885 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.451 -16.824 22.909 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.706 -18.260 22.421 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.226 -19.189 23.523 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -11.408 -19.748 24.283 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -13.460 -19.361 23.636 1.00 0.00 O ATOM 0 H GLU A 78 -12.501 -16.575 20.453 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.845 -14.860 22.237 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.659 -16.842 23.658 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.350 -16.456 23.404 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.427 -18.236 21.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.780 -18.669 22.017 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.647 -16.288 21.790 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.339 -16.698 21.260 1.00 0.00 C ATOM 1227 C GLY A 79 -7.264 -18.163 20.867 1.00 0.00 C ATOM 1228 O GLY A 79 -6.408 -18.553 20.064 1.00 0.00 O ATOM 0 H GLY A 79 -8.617 -15.989 22.765 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.103 -16.086 20.389 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.574 -16.494 22.010 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.155 -18.978 21.447 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.263 -20.404 21.121 1.00 0.00 C ATOM 1234 C GLU A 80 -8.779 -20.577 19.679 1.00 0.00 C ATOM 1235 O GLU A 80 -8.306 -21.444 18.945 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.198 -21.123 22.126 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.153 -22.659 22.067 1.00 0.00 C ATOM 1238 CD GLU A 80 -7.768 -23.234 22.424 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -7.492 -23.443 23.626 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -6.945 -23.461 21.511 1.00 0.00 O ATOM 0 H GLU A 80 -8.820 -18.667 22.155 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.274 -20.857 21.195 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.936 -20.805 23.135 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.222 -20.797 21.945 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.897 -23.066 22.752 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.429 -22.987 21.065 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.746 -19.721 19.289 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.307 -19.712 17.923 1.00 0.00 C ATOM 1249 C GLU A 81 -9.263 -19.201 16.922 1.00 0.00 C ATOM 1250 O GLU A 81 -9.180 -19.695 15.787 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.582 -18.831 17.840 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.629 -19.095 18.933 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.093 -20.559 19.037 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -13.985 -20.971 18.260 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -12.583 -21.299 19.909 1.00 0.00 O ATOM 0 H GLU A 81 -10.157 -19.022 19.907 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.581 -20.737 17.672 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.285 -17.783 17.889 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.048 -18.985 16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.216 -18.790 19.894 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.498 -18.465 18.745 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.477 -18.198 17.365 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.406 -17.596 16.559 1.00 0.00 C ATOM 1264 C ILE A 82 -6.383 -18.672 16.156 1.00 0.00 C ATOM 1265 O ILE A 82 -6.166 -18.915 14.969 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.680 -16.425 17.324 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.692 -15.327 17.783 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.555 -15.805 16.463 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.507 -14.708 16.668 1.00 0.00 C ATOM 0 H ILE A 82 -8.571 -17.786 18.293 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.865 -17.172 15.666 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.226 -16.855 18.217 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.374 -15.764 18.513 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.142 -14.537 18.294 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.073 -15.000 17.018 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.818 -16.571 16.221 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.980 -15.406 15.542 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.180 -13.958 17.083 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.839 -14.237 15.947 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.090 -15.483 16.170 1.00 0.00 H new ATOM 1281 N ALA A 83 -5.821 -19.356 17.164 1.00 0.00 N ATOM 1282 CA ALA A 83 -4.823 -20.425 16.960 1.00 0.00 C ATOM 1283 C ALA A 83 -5.432 -21.638 16.226 1.00 0.00 C ATOM 1284 O ALA A 83 -4.720 -22.359 15.513 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.223 -20.848 18.303 1.00 0.00 C ATOM 0 H ALA A 83 -6.043 -19.186 18.145 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.028 -20.029 16.328 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.488 -21.637 18.141 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.738 -19.991 18.771 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.015 -21.218 18.955 1.00 0.00 H new ATOM 1291 N ALA A 84 -6.754 -21.846 16.409 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.503 -22.915 15.725 1.00 0.00 C ATOM 1293 C ALA A 84 -7.496 -22.712 14.208 1.00 0.00 C ATOM 1294 O ALA A 84 -7.294 -23.666 13.453 1.00 0.00 O ATOM 1295 CB ALA A 84 -8.944 -22.988 16.233 1.00 0.00 C ATOM 0 H ALA A 84 -7.327 -21.278 17.033 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.004 -23.857 15.952 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.474 -23.785 15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.942 -23.193 17.303 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.444 -22.038 16.047 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.702 -21.455 13.770 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.736 -21.120 12.343 1.00 0.00 C ATOM 1303 C LEU A 85 -6.315 -20.973 11.768 1.00 0.00 C ATOM 1304 O LEU A 85 -6.085 -21.322 10.623 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.541 -19.838 12.050 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.765 -19.566 10.510 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -10.237 -19.661 10.115 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -8.109 -18.251 10.053 1.00 0.00 C ATOM 0 H LEU A 85 -7.847 -20.657 14.389 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.241 -21.953 11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.511 -19.908 12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.022 -18.986 12.489 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.255 -20.364 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.341 -19.466 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.610 -20.660 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.812 -18.924 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.289 -18.106 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.537 -17.418 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.036 -18.297 10.237 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.379 -20.436 12.569 1.00 0.00 N ATOM 1321 CA LEU A 86 -3.943 -20.366 12.194 1.00 0.00 C ATOM 1322 C LEU A 86 -3.386 -21.774 11.894 1.00 0.00 C ATOM 1323 O LEU A 86 -2.493 -21.929 11.066 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.106 -19.675 13.307 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.432 -18.167 13.560 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.610 -17.597 14.734 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.235 -17.322 12.280 1.00 0.00 C ATOM 0 H LEU A 86 -5.586 -20.040 13.486 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.864 -19.764 11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.253 -20.221 14.239 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.050 -19.762 13.049 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.485 -18.108 13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.864 -16.547 14.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.838 -18.155 15.642 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.547 -17.686 14.511 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.471 -16.279 12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.200 -17.400 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.896 -17.691 11.495 1.00 0.00 H new ATOM 1339 N GLU A 87 -3.968 -22.778 12.575 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.718 -24.204 12.349 1.00 0.00 C ATOM 1341 C GLU A 87 -4.306 -24.646 10.984 1.00 0.00 C ATOM 1342 O GLU A 87 -3.658 -25.363 10.210 1.00 0.00 O ATOM 1343 CB GLU A 87 -4.340 -24.997 13.538 1.00 0.00 C ATOM 1344 CG GLU A 87 -4.676 -26.472 13.282 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.450 -27.404 13.155 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -2.927 -27.583 12.034 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -2.995 -27.944 14.186 1.00 0.00 O ATOM 0 H GLU A 87 -4.645 -22.609 13.319 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.648 -24.406 12.308 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.649 -24.947 14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.254 -24.488 13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.306 -26.833 14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.264 -26.542 12.367 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.535 -24.198 10.701 1.00 0.00 N ATOM 1355 CA ARG A 88 -6.268 -24.561 9.474 1.00 0.00 C ATOM 1356 C ARG A 88 -5.617 -23.949 8.219 1.00 0.00 C ATOM 1357 O ARG A 88 -5.474 -24.621 7.200 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.742 -24.107 9.604 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.520 -24.833 10.721 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.941 -24.282 10.908 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.748 -24.415 9.680 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.781 -23.630 9.338 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -12.166 -22.633 10.129 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -12.422 -23.854 8.203 1.00 0.00 N ATOM 0 H ARG A 88 -6.054 -23.571 11.316 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.230 -25.644 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.767 -23.034 9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.249 -24.273 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.575 -25.896 10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.972 -24.740 11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.432 -24.812 11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.888 -23.232 11.196 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.500 -25.167 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.675 -22.459 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.953 -22.042 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.130 -24.619 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.208 -23.262 7.936 1.00 0.00 H new ATOM 1378 N GLU A 89 -5.188 -22.688 8.331 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.628 -21.916 7.211 1.00 0.00 C ATOM 1380 C GLU A 89 -3.194 -22.350 6.908 1.00 0.00 C ATOM 1381 O GLU A 89 -2.801 -22.374 5.750 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.672 -20.400 7.516 1.00 0.00 C ATOM 1383 CG GLU A 89 -6.081 -19.844 7.734 1.00 0.00 C ATOM 1384 CD GLU A 89 -7.018 -19.993 6.522 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.855 -19.243 5.540 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.917 -20.860 6.544 1.00 0.00 O ATOM 0 H GLU A 89 -5.219 -22.168 9.208 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.240 -22.114 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.074 -20.202 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.205 -19.861 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.530 -20.350 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.006 -18.788 7.992 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.414 -22.671 7.967 1.00 0.00 N ATOM 1394 CA ARG A 90 -1.014 -23.169 7.804 1.00 0.00 C ATOM 1395 C ARG A 90 -0.979 -24.525 7.081 1.00 0.00 C ATOM 1396 O ARG A 90 0.002 -24.856 6.412 1.00 0.00 O ATOM 1397 CB ARG A 90 -0.234 -23.255 9.147 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.697 -24.374 10.101 1.00 0.00 C ATOM 1399 CD ARG A 90 0.141 -24.458 11.380 1.00 0.00 C ATOM 1400 NE ARG A 90 -0.370 -25.475 12.329 1.00 0.00 N ATOM 1401 CZ ARG A 90 -0.054 -25.533 13.633 1.00 0.00 C ATOM 1402 NH1 ARG A 90 0.692 -24.589 14.196 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.513 -26.524 14.380 1.00 0.00 N ATOM 0 H ARG A 90 -2.720 -22.598 8.937 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.507 -22.427 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.823 -23.401 8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.323 -22.299 9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.741 -24.207 10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.650 -25.330 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.173 -24.695 11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.151 -23.483 11.868 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.008 -26.183 11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.033 -23.807 13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.924 -24.646 15.188 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.106 -27.243 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.274 -26.569 15.370 1.00 0.00 H new ATOM 1417 N ARG A 91 -2.056 -25.309 7.236 1.00 0.00 N ATOM 1418 CA ARG A 91 -2.223 -26.601 6.549 1.00 0.00 C ATOM 1419 C ARG A 91 -2.243 -26.399 5.009 1.00 0.00 C ATOM 1420 O ARG A 91 -1.718 -27.230 4.264 1.00 0.00 O ATOM 1421 CB ARG A 91 -3.512 -27.286 7.098 1.00 0.00 C ATOM 1422 CG ARG A 91 -3.818 -28.738 6.624 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.502 -28.809 5.250 1.00 0.00 C ATOM 1424 NE ARG A 91 -5.034 -30.152 4.960 1.00 0.00 N ATOM 1425 CZ ARG A 91 -5.656 -30.502 3.828 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -5.747 -29.655 2.813 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.166 -31.711 3.714 1.00 0.00 N ATOM 0 H ARG A 91 -2.839 -25.065 7.843 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.379 -27.261 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.450 -27.294 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.364 -26.660 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.886 -29.302 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.455 -29.225 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.314 -28.083 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.788 -28.528 4.476 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.920 -30.869 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.340 -28.723 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.224 -29.935 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.085 -32.373 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.642 -31.985 2.854 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.836 -25.285 4.554 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.903 -24.923 3.124 1.00 0.00 C ATOM 1443 C PHE A 92 -1.718 -24.015 2.718 1.00 0.00 C ATOM 1444 O PHE A 92 -1.258 -24.057 1.571 1.00 0.00 O ATOM 1445 CB PHE A 92 -4.257 -24.222 2.830 1.00 0.00 C ATOM 1446 CG PHE A 92 -5.474 -25.129 3.016 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -6.064 -25.284 4.266 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -6.013 -25.841 1.947 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -7.154 -26.110 4.444 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -7.102 -26.671 2.125 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.671 -26.809 3.373 1.00 0.00 C ATOM 0 H PHE A 92 -3.285 -24.605 5.167 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.833 -25.834 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.357 -23.356 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.247 -23.848 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.661 -24.748 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.573 -25.743 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.603 -26.210 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.509 -27.213 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.519 -27.463 3.512 1.00 0.00 H new ATOM 1461 N ASP A 93 -1.232 -23.207 3.674 1.00 0.00 N ATOM 1462 CA ASP A 93 -0.209 -22.165 3.451 1.00 0.00 C ATOM 1463 C ASP A 93 0.704 -22.085 4.686 1.00 0.00 C ATOM 1464 O ASP A 93 0.515 -21.235 5.559 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.872 -20.774 3.168 1.00 0.00 C ATOM 1466 CG ASP A 93 -1.541 -20.676 1.781 1.00 0.00 C ATOM 1467 OD1 ASP A 93 -2.728 -21.062 1.642 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -0.881 -20.221 0.817 1.00 0.00 O ATOM 0 H ASP A 93 -1.544 -23.258 4.644 1.00 0.00 H new ATOM 0 HA ASP A 93 0.382 -22.431 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.619 -20.574 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.113 -19.996 3.251 1.00 0.00 H new ATOM 1473 N SER A 94 1.677 -23.010 4.772 1.00 0.00 N ATOM 1474 CA SER A 94 2.661 -23.054 5.883 1.00 0.00 C ATOM 1475 C SER A 94 3.629 -21.855 5.806 1.00 0.00 C ATOM 1476 O SER A 94 4.324 -21.529 6.780 1.00 0.00 O ATOM 1477 CB SER A 94 3.439 -24.388 5.835 1.00 0.00 C ATOM 1478 OG SER A 94 4.337 -24.523 6.926 1.00 0.00 O ATOM 0 H SER A 94 1.808 -23.747 4.080 1.00 0.00 H new ATOM 0 HA SER A 94 2.126 -22.989 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.733 -25.219 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.995 -24.449 4.899 1.00 0.00 H new ATOM 0 HG SER A 94 4.807 -25.380 6.858 1.00 0.00 H new ATOM 1484 N ASP A 95 3.651 -21.206 4.636 1.00 0.00 N ATOM 1485 CA ASP A 95 4.456 -20.008 4.370 1.00 0.00 C ATOM 1486 C ASP A 95 3.710 -18.720 4.762 1.00 0.00 C ATOM 1487 O ASP A 95 4.109 -17.624 4.340 1.00 0.00 O ATOM 1488 CB ASP A 95 4.856 -19.991 2.874 1.00 0.00 C ATOM 1489 CG ASP A 95 5.808 -21.142 2.495 1.00 0.00 C ATOM 1490 OD1 ASP A 95 5.321 -22.258 2.197 1.00 0.00 O ATOM 1491 OD2 ASP A 95 7.044 -20.934 2.489 1.00 0.00 O ATOM 0 H ASP A 95 3.099 -21.505 3.832 1.00 0.00 H new ATOM 0 HA ASP A 95 5.355 -20.045 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.956 -20.054 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.334 -19.039 2.642 1.00 0.00 H new ATOM 1496 N LEU A 96 2.650 -18.842 5.592 1.00 0.00 N ATOM 1497 CA LEU A 96 1.949 -17.671 6.139 1.00 0.00 C ATOM 1498 C LEU A 96 2.767 -17.063 7.298 1.00 0.00 C ATOM 1499 O LEU A 96 3.653 -17.716 7.873 1.00 0.00 O ATOM 1500 CB LEU A 96 0.477 -18.018 6.561 1.00 0.00 C ATOM 1501 CG LEU A 96 0.219 -18.709 7.958 1.00 0.00 C ATOM 1502 CD1 LEU A 96 0.108 -17.693 9.116 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -1.046 -19.579 7.932 1.00 0.00 C ATOM 0 H LEU A 96 2.267 -19.738 5.894 1.00 0.00 H new ATOM 0 HA LEU A 96 1.865 -16.917 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.097 -17.091 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.059 -18.667 5.792 1.00 0.00 H new ATOM 0 HG LEU A 96 1.091 -19.338 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.069 -18.225 10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.035 -17.125 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.720 -17.011 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.192 -20.038 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.909 -18.959 7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.936 -20.358 7.178 1.00 0.00 H new ATOM 1515 N TRP A 97 2.457 -15.801 7.619 1.00 0.00 N ATOM 1516 CA TRP A 97 3.093 -15.039 8.701 1.00 0.00 C ATOM 1517 C TRP A 97 2.033 -14.696 9.747 1.00 0.00 C ATOM 1518 O TRP A 97 0.984 -14.177 9.391 1.00 0.00 O ATOM 1519 CB TRP A 97 3.700 -13.725 8.145 1.00 0.00 C ATOM 1520 CG TRP A 97 4.817 -13.906 7.142 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.796 -14.634 5.986 1.00 0.00 C ATOM 1522 CD2 TRP A 97 6.104 -13.296 7.197 1.00 0.00 C ATOM 1523 NE1 TRP A 97 6.009 -14.562 5.365 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.826 -13.734 6.079 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.706 -12.425 8.100 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.131 -13.332 5.838 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 8.004 -12.026 7.869 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.704 -12.478 6.743 1.00 0.00 C ATOM 0 H TRP A 97 1.741 -15.270 7.123 1.00 0.00 H new ATOM 0 HA TRP A 97 3.888 -15.637 9.146 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.904 -13.145 7.678 1.00 0.00 H new ATOM 0 HB3 TRP A 97 4.076 -13.135 8.981 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.944 -15.186 5.618 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.264 -15.049 4.506 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.166 -12.069 8.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.674 -13.678 4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.488 -11.356 8.565 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.719 -12.145 6.585 1.00 0.00 H new ATOM 1539 N VAL A 98 2.291 -14.989 11.026 1.00 0.00 N ATOM 1540 CA VAL A 98 1.394 -14.573 12.118 1.00 0.00 C ATOM 1541 C VAL A 98 1.978 -13.323 12.762 1.00 0.00 C ATOM 1542 O VAL A 98 3.163 -13.290 13.092 1.00 0.00 O ATOM 1543 CB VAL A 98 1.160 -15.683 13.208 1.00 0.00 C ATOM 1544 CG1 VAL A 98 0.248 -15.161 14.347 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.560 -16.959 12.581 1.00 0.00 C ATOM 0 H VAL A 98 3.111 -15.512 11.334 1.00 0.00 H new ATOM 0 HA VAL A 98 0.414 -14.379 11.683 1.00 0.00 H new ATOM 0 HB VAL A 98 2.131 -15.936 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.103 -15.948 15.087 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.716 -14.299 14.822 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.718 -14.868 13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.409 -17.709 13.357 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.396 -16.721 12.115 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.243 -17.350 11.827 1.00 0.00 H new ATOM 1555 N VAL A 99 1.154 -12.283 12.886 1.00 0.00 N ATOM 1556 CA VAL A 99 1.545 -11.016 13.520 1.00 0.00 C ATOM 1557 C VAL A 99 0.617 -10.766 14.701 1.00 0.00 C ATOM 1558 O VAL A 99 -0.596 -10.759 14.515 1.00 0.00 O ATOM 1559 CB VAL A 99 1.425 -9.794 12.524 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.172 -8.550 13.052 1.00 0.00 C ATOM 1561 CG2 VAL A 99 1.885 -10.177 11.100 1.00 0.00 C ATOM 0 H VAL A 99 0.191 -12.292 12.549 1.00 0.00 H new ATOM 0 HA VAL A 99 2.586 -11.098 13.833 1.00 0.00 H new ATOM 0 HB VAL A 99 0.369 -9.529 12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.066 -7.732 12.339 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.750 -8.252 14.012 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.229 -8.786 13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.789 -9.313 10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.926 -10.498 11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.265 -10.990 10.724 1.00 0.00 H new ATOM 1571 N GLU A 100 1.157 -10.562 15.898 1.00 0.00 N ATOM 1572 CA GLU A 100 0.349 -10.089 17.027 1.00 0.00 C ATOM 1573 C GLU A 100 0.290 -8.563 16.965 1.00 0.00 C ATOM 1574 O GLU A 100 1.292 -7.930 16.660 1.00 0.00 O ATOM 1575 CB GLU A 100 0.920 -10.574 18.382 1.00 0.00 C ATOM 1576 CG GLU A 100 2.374 -10.146 18.705 1.00 0.00 C ATOM 1577 CD GLU A 100 2.880 -10.609 20.086 1.00 0.00 C ATOM 1578 OE1 GLU A 100 2.295 -11.549 20.685 1.00 0.00 O ATOM 1579 OE2 GLU A 100 3.870 -10.035 20.591 1.00 0.00 O ATOM 0 H GLU A 100 2.142 -10.714 16.115 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.657 -10.503 16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.271 -10.209 19.178 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.870 -11.663 18.405 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.037 -10.544 17.936 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.441 -9.059 18.652 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.911 -7.992 17.149 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.109 -6.543 17.312 1.00 0.00 C ATOM 1588 C ILE A 101 -2.030 -6.316 18.522 1.00 0.00 C ATOM 1589 O ILE A 101 -3.102 -6.935 18.648 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.681 -5.804 16.025 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.059 -6.376 15.580 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.670 -5.856 14.847 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.739 -5.599 14.472 1.00 0.00 C ATOM 0 H ILE A 101 -1.778 -8.527 17.189 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.126 -6.099 17.471 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.832 -4.762 16.308 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.920 -7.406 15.251 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.722 -6.404 16.445 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.091 -5.342 13.983 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.258 -5.367 15.143 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.467 -6.895 14.588 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.691 -6.070 14.228 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.915 -4.575 14.801 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.101 -5.592 13.588 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.559 -5.493 19.457 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.292 -5.131 20.672 1.00 0.00 C ATOM 1607 C GLU A 102 -2.704 -3.664 20.545 1.00 0.00 C ATOM 1608 O GLU A 102 -1.895 -2.745 20.754 1.00 0.00 O ATOM 1609 CB GLU A 102 -1.420 -5.375 21.943 1.00 0.00 C ATOM 1610 CG GLU A 102 -1.214 -6.862 22.337 1.00 0.00 C ATOM 1611 CD GLU A 102 -0.492 -7.726 21.285 1.00 0.00 C ATOM 1612 OE1 GLU A 102 0.578 -7.314 20.796 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -0.989 -8.821 20.949 1.00 0.00 O ATOM 0 H GLU A 102 -0.642 -5.051 19.392 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.179 -5.755 20.782 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.442 -4.921 21.784 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.880 -4.855 22.783 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.646 -6.899 23.266 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.189 -7.305 22.541 1.00 0.00 H new ATOM 1620 N THR A 103 -3.967 -3.467 20.163 1.00 0.00 N ATOM 1621 CA THR A 103 -4.550 -2.154 19.890 1.00 0.00 C ATOM 1622 C THR A 103 -6.076 -2.268 19.917 1.00 0.00 C ATOM 1623 O THR A 103 -6.635 -3.340 19.680 1.00 0.00 O ATOM 1624 CB THR A 103 -4.057 -1.556 18.519 1.00 0.00 C ATOM 1625 OG1 THR A 103 -4.774 -0.347 18.200 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.189 -2.559 17.364 1.00 0.00 C ATOM 0 H THR A 103 -4.627 -4.234 20.032 1.00 0.00 H new ATOM 0 HA THR A 103 -4.218 -1.464 20.666 1.00 0.00 H new ATOM 0 HB THR A 103 -2.998 -1.327 18.641 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.307 -0.487 17.390 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.836 -2.099 16.441 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.591 -3.444 17.580 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.234 -2.847 17.250 1.00 0.00 H new ATOM 1634 N ASP A 104 -6.749 -1.155 20.220 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.216 -1.124 20.385 1.00 0.00 C ATOM 1636 C ASP A 104 -8.915 -0.609 19.114 1.00 0.00 C ATOM 1637 O ASP A 104 -10.141 -0.458 19.087 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.573 -0.266 21.621 1.00 0.00 C ATOM 1639 CG ASP A 104 -7.889 -0.781 22.905 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -8.250 -1.878 23.379 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -6.977 -0.103 23.425 1.00 0.00 O ATOM 0 H ASP A 104 -6.300 -0.250 20.359 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.577 -2.140 20.547 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.275 0.767 21.442 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.654 -0.267 21.762 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.124 -0.353 18.063 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.631 0.047 16.744 1.00 0.00 C ATOM 1648 C GLU A 105 -7.738 -0.548 15.655 1.00 0.00 C ATOM 1649 O GLU A 105 -6.509 -0.559 15.788 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.724 1.594 16.630 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.462 2.365 17.075 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.673 3.889 17.119 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.534 4.557 16.073 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -7.983 4.426 18.205 1.00 0.00 O ATOM 0 H GLU A 105 -7.107 -0.418 18.105 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.641 -0.341 16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.942 1.853 15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.569 1.936 17.228 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.160 2.017 18.063 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.644 2.137 16.392 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.368 -1.055 14.586 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.682 -1.800 13.520 1.00 0.00 C ATOM 1663 C ILE A 106 -7.539 -0.955 12.238 1.00 0.00 C ATOM 1664 O ILE A 106 -6.477 -0.963 11.614 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.426 -3.161 13.192 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.686 -3.946 12.061 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -9.918 -2.941 12.839 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.285 -4.377 12.423 1.00 0.00 C ATOM 0 H ILE A 106 -9.372 -0.960 14.435 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.684 -2.032 13.891 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.401 -3.767 14.098 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.271 -4.829 11.804 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.643 -3.322 11.169 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.386 -3.901 12.622 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.426 -2.472 13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.994 -2.295 11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.842 -4.915 11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.681 -3.498 12.650 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.319 -5.029 13.296 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.599 -0.201 11.888 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.707 0.450 10.572 1.00 0.00 C ATOM 1682 C GLY A 107 -7.604 1.471 10.286 1.00 0.00 C ATOM 1683 O GLY A 107 -7.219 1.685 9.128 1.00 0.00 O ATOM 0 H GLY A 107 -9.395 -0.029 12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.687 -0.316 9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.674 0.948 10.503 1.00 0.00 H new ATOM 1687 N THR A 108 -7.088 2.074 11.362 1.00 0.00 N ATOM 1688 CA THR A 108 -6.055 3.117 11.304 1.00 0.00 C ATOM 1689 C THR A 108 -4.645 2.534 11.001 1.00 0.00 C ATOM 1690 O THR A 108 -3.771 3.249 10.503 1.00 0.00 O ATOM 1691 CB THR A 108 -6.038 3.919 12.648 1.00 0.00 C ATOM 1692 OG1 THR A 108 -5.194 5.075 12.537 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.579 3.057 13.841 1.00 0.00 C ATOM 0 H THR A 108 -7.380 1.849 12.313 1.00 0.00 H new ATOM 0 HA THR A 108 -6.306 3.787 10.481 1.00 0.00 H new ATOM 0 HB THR A 108 -7.065 4.232 12.838 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.197 5.565 13.386 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.585 3.660 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.257 2.212 13.962 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.570 2.688 13.657 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.453 1.221 11.276 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.128 0.548 11.209 1.00 0.00 C ATOM 1703 C LEU A 109 -3.155 -0.747 10.360 1.00 0.00 C ATOM 1704 O LEU A 109 -2.130 -1.428 10.234 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.605 0.298 12.663 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.652 -0.245 13.706 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -3.796 -1.783 13.669 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.323 0.249 15.131 1.00 0.00 C ATOM 0 H LEU A 109 -5.211 0.596 11.551 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.431 1.208 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.778 -0.410 12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.199 1.235 13.045 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.620 0.162 13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.531 -2.098 14.410 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.124 -2.094 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.834 -2.244 13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.062 -0.141 15.831 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.331 -0.101 15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.343 1.339 15.152 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.328 -1.062 9.783 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.516 -2.173 8.824 1.00 0.00 C ATOM 1722 C LEU A 110 -5.904 -2.036 8.170 1.00 0.00 C ATOM 1723 O LEU A 110 -6.928 -1.976 8.867 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.368 -3.565 9.509 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.626 -4.815 8.605 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.676 -4.846 7.390 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.539 -6.129 9.423 1.00 0.00 C ATOM 0 H LEU A 110 -5.187 -0.546 9.971 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.737 -2.112 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.360 -3.640 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.057 -3.606 10.353 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.642 -4.732 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.886 -5.729 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.827 -3.950 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.643 -4.881 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.723 -6.979 8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.546 -6.219 9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.287 -6.114 10.216 1.00 0.00 H new ATOM 1739 N THR A 111 -5.919 -1.979 6.830 1.00 0.00 N ATOM 1740 CA THR A 111 -7.142 -1.774 6.047 1.00 0.00 C ATOM 1741 C THR A 111 -7.799 -3.121 5.677 1.00 0.00 C ATOM 1742 O THR A 111 -7.115 -4.070 5.265 1.00 0.00 O ATOM 1743 CB THR A 111 -6.845 -0.949 4.756 1.00 0.00 C ATOM 1744 OG1 THR A 111 -6.150 0.265 5.103 1.00 0.00 O ATOM 1745 CG2 THR A 111 -8.143 -0.596 4.014 1.00 0.00 C ATOM 0 H THR A 111 -5.079 -2.074 6.259 1.00 0.00 H new ATOM 0 HA THR A 111 -7.839 -1.211 6.668 1.00 0.00 H new ATOM 0 HB THR A 111 -6.224 -1.559 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.964 0.779 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.906 -0.021 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.661 -1.512 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.785 -0.004 4.666 1.00 0.00 H new ATOM 1753 N LEU A 112 -9.137 -3.169 5.821 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.956 -4.384 5.633 1.00 0.00 C ATOM 1755 C LEU A 112 -11.099 -4.111 4.638 1.00 0.00 C ATOM 1756 O LEU A 112 -11.595 -2.985 4.564 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.523 -4.820 7.006 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.446 -5.030 8.114 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.063 -5.053 9.509 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.595 -6.286 7.848 1.00 0.00 C ATOM 0 H LEU A 112 -9.690 -2.351 6.076 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.339 -5.184 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.234 -4.067 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.079 -5.749 6.877 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.776 -4.171 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.279 -5.201 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.568 -4.106 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.784 -5.868 9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.856 -6.399 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.240 -7.164 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.086 -6.184 6.889 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.509 -5.151 3.886 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.583 -5.061 2.868 1.00 0.00 C ATOM 1774 C VAL A 113 -13.975 -5.146 3.520 1.00 0.00 C ATOM 1775 O VAL A 113 -14.958 -4.631 2.979 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.439 -6.182 1.760 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.169 -5.975 0.907 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.437 -7.603 2.376 1.00 0.00 C ATOM 0 H VAL A 113 -11.104 -6.084 3.965 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.478 -4.090 2.385 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.311 -6.093 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.102 -6.763 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.217 -5.005 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.289 -6.011 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.336 -8.343 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.601 -7.698 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.372 -7.769 2.911 1.00 0.00 H new ATOM 1788 N ASP A 114 -14.034 -5.792 4.694 1.00 0.00 N ATOM 1789 CA ASP A 114 -15.285 -6.034 5.436 1.00 0.00 C ATOM 1790 C ASP A 114 -15.477 -5.002 6.567 1.00 0.00 C ATOM 1791 O ASP A 114 -16.471 -4.271 6.567 1.00 0.00 O ATOM 1792 CB ASP A 114 -15.350 -7.516 5.954 1.00 0.00 C ATOM 1793 CG ASP A 114 -14.097 -8.080 6.655 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -13.071 -7.377 6.809 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -14.139 -9.266 7.040 1.00 0.00 O ATOM 0 H ASP A 114 -13.208 -6.166 5.161 1.00 0.00 H new ATOM 0 HA ASP A 114 -16.122 -5.899 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -16.187 -7.594 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -15.579 -8.160 5.105 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.523 -4.926 7.512 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.573 -3.952 8.632 1.00 0.00 C ATOM 1802 C GLN A 115 -14.248 -2.527 8.127 1.00 0.00 C ATOM 1803 O GLN A 115 -13.543 -2.387 7.114 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.589 -4.368 9.760 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.875 -5.733 10.404 1.00 0.00 C ATOM 1806 CD GLN A 115 -15.277 -5.870 10.994 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.518 -5.523 12.152 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -16.211 -6.379 10.200 1.00 0.00 N ATOM 0 H GLN A 115 -13.701 -5.529 7.527 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.584 -3.950 9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.578 -4.381 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.609 -3.605 10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.731 -6.512 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.143 -5.910 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.975 -6.655 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -17.165 -6.494 10.543 1.00 0.00 H new