USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 737 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 30 CYS SG : rot -151:sc= 0.428 USER MOD Set 1.2: A 79 CYS SG : rot 88:sc= 1.68 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.012 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 32:sc= 0.618 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 17 ASN : amide:sc= -0.614 K(o=-0.61,f=-6.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 27 MET CE :methyl 132:sc= -0.425 (180deg=-1.92!) USER MOD Single : A 33 SER OG : rot -23:sc= 0.148 USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= -0.446 (180deg=-2.03!) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.0864 (180deg=-0.428) USER MOD Single : A 46 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.24) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.226 K(o=0.23,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : A 62 CYS SG : rot -100:sc= -0.198 USER MOD Single : A 65 GLN : amide:sc= -0.25 K(o=-0.25,f=-4.2!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -110:sc= -0.214 (180deg=-0.964) USER MOD Single : A 77 TYR OH : rot -12:sc= 1.25 USER MOD Single : A 81 CYS SG : rot -43:sc= -5.97! USER MOD Single : A 83 GLN : amide:sc= -1.7 K(o=-1.7,f=-4.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.031 23.010 10.049 1.00 0.00 N ATOM 2 CA GLY A 1 16.089 23.941 10.642 1.00 0.00 C ATOM 3 C GLY A 1 14.682 23.380 10.708 1.00 0.00 C ATOM 4 O GLY A 1 14.359 22.600 11.604 1.00 0.00 O ATOM 0 H1 GLY A 1 17.977 23.441 10.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.060 22.138 10.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.731 22.783 9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.422 24.198 11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.082 24.864 10.063 1.00 0.00 H new ATOM 8 N SER A 2 13.842 23.778 9.758 1.00 0.00 N ATOM 9 CA SER A 2 12.460 23.314 9.715 1.00 0.00 C ATOM 10 C SER A 2 12.013 23.071 8.277 1.00 0.00 C ATOM 11 O SER A 2 12.540 23.672 7.341 1.00 0.00 O ATOM 12 CB SER A 2 11.536 24.334 10.383 1.00 0.00 C ATOM 13 OG SER A 2 11.536 24.177 11.791 1.00 0.00 O ATOM 0 H SER A 2 14.094 24.421 9.007 1.00 0.00 H new ATOM 0 HA SER A 2 12.402 22.371 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.858 25.343 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.522 24.216 10.001 1.00 0.00 H new ATOM 0 HG SER A 2 12.324 23.662 12.063 1.00 0.00 H new ATOM 19 N SER A 3 11.037 22.184 8.110 1.00 0.00 N ATOM 20 CA SER A 3 10.520 21.857 6.786 1.00 0.00 C ATOM 21 C SER A 3 9.075 22.323 6.637 1.00 0.00 C ATOM 22 O SER A 3 8.197 21.911 7.394 1.00 0.00 O ATOM 23 CB SER A 3 10.611 20.350 6.538 1.00 0.00 C ATOM 24 OG SER A 3 11.906 19.984 6.093 1.00 0.00 O ATOM 0 H SER A 3 10.589 21.679 8.875 1.00 0.00 H new ATOM 0 HA SER A 3 11.129 22.377 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.373 19.812 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.871 20.055 5.794 1.00 0.00 H new ATOM 0 HG SER A 3 11.939 19.016 5.943 1.00 0.00 H new ATOM 30 N GLY A 4 8.836 23.184 5.653 1.00 0.00 N ATOM 31 CA GLY A 4 7.496 23.692 5.421 1.00 0.00 C ATOM 32 C GLY A 4 7.244 24.018 3.962 1.00 0.00 C ATOM 33 O GLY A 4 8.036 24.716 3.329 1.00 0.00 O ATOM 0 H GLY A 4 9.546 23.539 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.768 22.953 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.341 24.588 6.022 1.00 0.00 H new ATOM 37 N SER A 5 6.139 23.510 3.427 1.00 0.00 N ATOM 38 CA SER A 5 5.787 23.746 2.031 1.00 0.00 C ATOM 39 C SER A 5 4.293 23.536 1.805 1.00 0.00 C ATOM 40 O SER A 5 3.740 22.495 2.160 1.00 0.00 O ATOM 41 CB SER A 5 6.588 22.818 1.117 1.00 0.00 C ATOM 42 OG SER A 5 7.841 23.389 0.781 1.00 0.00 O ATOM 0 H SER A 5 5.472 22.932 3.938 1.00 0.00 H new ATOM 0 HA SER A 5 6.032 24.781 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.743 21.860 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.020 22.619 0.208 1.00 0.00 H new ATOM 0 HG SER A 5 8.155 23.948 1.522 1.00 0.00 H new ATOM 48 N SER A 6 3.645 24.534 1.211 1.00 0.00 N ATOM 49 CA SER A 6 2.214 24.461 0.939 1.00 0.00 C ATOM 50 C SER A 6 1.954 23.915 -0.461 1.00 0.00 C ATOM 51 O SER A 6 2.025 24.646 -1.448 1.00 0.00 O ATOM 52 CB SER A 6 1.575 25.843 1.087 1.00 0.00 C ATOM 53 OG SER A 6 1.462 26.210 2.451 1.00 0.00 O ATOM 0 H SER A 6 4.088 25.402 0.909 1.00 0.00 H new ATOM 0 HA SER A 6 1.765 23.781 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.175 26.583 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.588 25.842 0.625 1.00 0.00 H new ATOM 0 HG SER A 6 1.052 27.098 2.518 1.00 0.00 H new ATOM 59 N GLY A 7 1.651 22.623 -0.539 1.00 0.00 N ATOM 60 CA GLY A 7 1.384 21.999 -1.822 1.00 0.00 C ATOM 61 C GLY A 7 0.920 20.563 -1.684 1.00 0.00 C ATOM 62 O GLY A 7 0.422 20.147 -0.637 1.00 0.00 O ATOM 0 H GLY A 7 1.586 21.997 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.624 22.574 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.287 22.029 -2.432 1.00 0.00 H new ATOM 66 N PRO A 8 1.080 19.779 -2.760 1.00 0.00 N ATOM 67 CA PRO A 8 0.679 18.369 -2.779 1.00 0.00 C ATOM 68 C PRO A 8 1.566 17.502 -1.893 1.00 0.00 C ATOM 69 O PRO A 8 2.460 18.004 -1.213 1.00 0.00 O ATOM 70 CB PRO A 8 0.841 17.974 -4.249 1.00 0.00 C ATOM 71 CG PRO A 8 1.865 18.915 -4.783 1.00 0.00 C ATOM 72 CD PRO A 8 1.666 20.208 -4.041 1.00 0.00 C ATOM 0 HA PRO A 8 -0.331 18.227 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.166 16.938 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.101 18.065 -4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.871 18.526 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.742 19.058 -5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.608 20.737 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.002 20.883 -4.581 1.00 0.00 H new ATOM 80 N ALA A 9 1.314 16.197 -1.907 1.00 0.00 N ATOM 81 CA ALA A 9 2.092 15.260 -1.106 1.00 0.00 C ATOM 82 C ALA A 9 3.173 14.587 -1.945 1.00 0.00 C ATOM 83 O ALA A 9 2.912 14.120 -3.054 1.00 0.00 O ATOM 84 CB ALA A 9 1.179 14.215 -0.481 1.00 0.00 C ATOM 0 H ALA A 9 0.577 15.765 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 9 2.583 15.820 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.773 13.522 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.447 14.708 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.662 13.666 -1.268 1.00 0.00 H new ATOM 90 N LYS A 10 4.388 14.540 -1.409 1.00 0.00 N ATOM 91 CA LYS A 10 5.509 13.924 -2.108 1.00 0.00 C ATOM 92 C LYS A 10 5.948 12.642 -1.408 1.00 0.00 C ATOM 93 O LYS A 10 6.015 12.585 -0.180 1.00 0.00 O ATOM 94 CB LYS A 10 6.684 14.901 -2.190 1.00 0.00 C ATOM 95 CG LYS A 10 6.309 16.257 -2.762 1.00 0.00 C ATOM 96 CD LYS A 10 7.486 16.910 -3.468 1.00 0.00 C ATOM 97 CE LYS A 10 7.022 17.917 -4.509 1.00 0.00 C ATOM 98 NZ LYS A 10 8.166 18.644 -5.125 1.00 0.00 N ATOM 0 H LYS A 10 4.621 14.921 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 10 5.182 13.673 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.101 15.040 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.469 14.461 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.482 16.141 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.959 16.907 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.120 17.409 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.095 16.144 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.458 17.402 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.344 18.633 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.809 19.321 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.690 19.156 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.800 17.963 -5.590 1.00 0.00 H new ATOM 112 N PHE A 11 6.248 11.615 -2.196 1.00 0.00 N ATOM 113 CA PHE A 11 6.681 10.334 -1.651 1.00 0.00 C ATOM 114 C PHE A 11 8.105 10.426 -1.110 1.00 0.00 C ATOM 115 O PHE A 11 9.057 10.629 -1.864 1.00 0.00 O ATOM 116 CB PHE A 11 6.601 9.246 -2.725 1.00 0.00 C ATOM 117 CG PHE A 11 5.218 8.694 -2.917 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.751 7.665 -2.116 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.385 9.204 -3.899 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.478 7.155 -2.290 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.111 8.699 -4.078 1.00 0.00 C ATOM 122 CZ PHE A 11 2.657 7.672 -3.273 1.00 0.00 C ATOM 0 H PHE A 11 6.199 11.645 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 11 6.015 10.074 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.955 9.654 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.275 8.432 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.389 7.256 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.735 10.006 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.126 6.353 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.471 9.107 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.663 7.274 -3.412 1.00 0.00 H new ATOM 132 N THR A 12 8.243 10.277 0.204 1.00 0.00 N ATOM 133 CA THR A 12 9.549 10.345 0.848 1.00 0.00 C ATOM 134 C THR A 12 10.247 8.990 0.820 1.00 0.00 C ATOM 135 O THR A 12 11.457 8.910 0.610 1.00 0.00 O ATOM 136 CB THR A 12 9.431 10.819 2.308 1.00 0.00 C ATOM 137 OG1 THR A 12 8.508 9.988 3.020 1.00 0.00 O ATOM 138 CG2 THR A 12 8.969 12.268 2.372 1.00 0.00 C ATOM 0 H THR A 12 7.466 10.108 0.843 1.00 0.00 H new ATOM 0 HA THR A 12 10.141 11.067 0.286 1.00 0.00 H new ATOM 0 HB THR A 12 10.416 10.747 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.440 10.295 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.893 12.580 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.689 12.903 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.994 12.360 1.894 1.00 0.00 H new ATOM 146 N GLU A 13 9.476 7.928 1.033 1.00 0.00 N ATOM 147 CA GLU A 13 10.023 6.576 1.032 1.00 0.00 C ATOM 148 C GLU A 13 9.569 5.807 -0.205 1.00 0.00 C ATOM 149 O GLU A 13 10.348 5.075 -0.815 1.00 0.00 O ATOM 150 CB GLU A 13 9.595 5.829 2.297 1.00 0.00 C ATOM 151 CG GLU A 13 10.017 6.519 3.583 1.00 0.00 C ATOM 152 CD GLU A 13 11.482 6.909 3.583 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.273 6.248 2.879 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.837 7.878 4.287 1.00 0.00 O ATOM 0 H GLU A 13 8.472 7.978 1.208 1.00 0.00 H new ATOM 0 HA GLU A 13 11.110 6.650 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.511 5.717 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.019 4.825 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.408 7.411 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.821 5.857 4.427 1.00 0.00 H new ATOM 161 N GLY A 14 8.302 5.977 -0.569 1.00 0.00 N ATOM 162 CA GLY A 14 7.765 5.293 -1.731 1.00 0.00 C ATOM 163 C GLY A 14 7.484 3.828 -1.461 1.00 0.00 C ATOM 164 O GLY A 14 7.831 3.306 -0.401 1.00 0.00 O ATOM 0 H GLY A 14 7.637 6.576 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.844 5.785 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.470 5.378 -2.558 1.00 0.00 H new ATOM 168 N LEU A 15 6.851 3.162 -2.421 1.00 0.00 N ATOM 169 CA LEU A 15 6.522 1.748 -2.282 1.00 0.00 C ATOM 170 C LEU A 15 7.783 0.890 -2.298 1.00 0.00 C ATOM 171 O LEU A 15 8.880 1.387 -2.556 1.00 0.00 O ATOM 172 CB LEU A 15 5.580 1.311 -3.406 1.00 0.00 C ATOM 173 CG LEU A 15 4.113 1.714 -3.247 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.365 1.531 -4.558 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.455 0.906 -2.138 1.00 0.00 C ATOM 0 H LEU A 15 6.556 3.579 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 15 6.023 1.609 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.950 1.724 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.630 0.226 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 15 4.073 2.768 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.323 1.822 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.821 2.154 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.414 0.485 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.412 1.206 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.506 -0.155 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.975 1.088 -1.198 1.00 0.00 H new ATOM 187 N ARG A 16 7.619 -0.399 -2.022 1.00 0.00 N ATOM 188 CA ARG A 16 8.744 -1.326 -2.006 1.00 0.00 C ATOM 189 C ARG A 16 8.287 -2.743 -2.341 1.00 0.00 C ATOM 190 O ARG A 16 7.477 -3.330 -1.626 1.00 0.00 O ATOM 191 CB ARG A 16 9.426 -1.310 -0.636 1.00 0.00 C ATOM 192 CG ARG A 16 8.546 -1.830 0.488 1.00 0.00 C ATOM 193 CD ARG A 16 9.125 -1.489 1.852 1.00 0.00 C ATOM 194 NE ARG A 16 10.050 -2.515 2.326 1.00 0.00 N ATOM 195 CZ ARG A 16 9.661 -3.699 2.787 1.00 0.00 C ATOM 196 NH1 ARG A 16 8.372 -4.004 2.836 1.00 0.00 N ATOM 197 NH2 ARG A 16 10.563 -4.580 3.200 1.00 0.00 N ATOM 0 H ARG A 16 6.718 -0.825 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 16 9.458 -1.004 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.333 -1.912 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.732 -0.290 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.548 -1.402 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.438 -2.911 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.643 -0.532 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.314 -1.372 2.571 1.00 0.00 H new ATOM 0 HE ARG A 16 11.049 -2.312 2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.676 -3.329 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.076 -4.914 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.556 -4.349 3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.264 -5.489 3.554 1.00 0.00 H new ATOM 211 N ASN A 17 8.812 -3.285 -3.436 1.00 0.00 N ATOM 212 CA ASN A 17 8.457 -4.632 -3.867 1.00 0.00 C ATOM 213 C ASN A 17 8.554 -5.618 -2.707 1.00 0.00 C ATOM 214 O ASN A 17 9.475 -5.545 -1.894 1.00 0.00 O ATOM 215 CB ASN A 17 9.369 -5.081 -5.010 1.00 0.00 C ATOM 216 CG ASN A 17 9.493 -4.031 -6.097 1.00 0.00 C ATOM 217 OD1 ASN A 17 8.982 -2.919 -5.963 1.00 0.00 O ATOM 218 ND2 ASN A 17 10.174 -4.380 -7.183 1.00 0.00 N ATOM 0 H ASN A 17 9.484 -2.812 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 17 7.426 -4.614 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.359 -5.308 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.979 -6.003 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.290 -3.715 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.581 -5.313 -7.252 1.00 0.00 H new ATOM 225 N GLU A 18 7.598 -6.539 -2.638 1.00 0.00 N ATOM 226 CA GLU A 18 7.577 -7.539 -1.577 1.00 0.00 C ATOM 227 C GLU A 18 6.959 -8.844 -2.072 1.00 0.00 C ATOM 228 O GLU A 18 6.571 -8.957 -3.235 1.00 0.00 O ATOM 229 CB GLU A 18 6.795 -7.018 -0.370 1.00 0.00 C ATOM 230 CG GLU A 18 5.291 -6.990 -0.585 1.00 0.00 C ATOM 231 CD GLU A 18 4.514 -7.118 0.711 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.141 -7.405 1.752 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.279 -6.932 0.685 1.00 0.00 O ATOM 0 H GLU A 18 6.829 -6.613 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 18 8.606 -7.735 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.018 -7.643 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.138 -6.011 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.016 -6.058 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.008 -7.802 -1.255 1.00 0.00 H new ATOM 240 N GLU A 19 6.872 -9.826 -1.181 1.00 0.00 N ATOM 241 CA GLU A 19 6.303 -11.123 -1.528 1.00 0.00 C ATOM 242 C GLU A 19 5.350 -11.608 -0.439 1.00 0.00 C ATOM 243 O GLU A 19 5.298 -11.042 0.652 1.00 0.00 O ATOM 244 CB GLU A 19 7.415 -12.152 -1.742 1.00 0.00 C ATOM 245 CG GLU A 19 8.087 -12.599 -0.455 1.00 0.00 C ATOM 246 CD GLU A 19 7.227 -13.553 0.351 1.00 0.00 C ATOM 247 OE1 GLU A 19 6.876 -14.628 -0.180 1.00 0.00 O ATOM 248 OE2 GLU A 19 6.906 -13.226 1.512 1.00 0.00 O ATOM 0 H GLU A 19 7.188 -9.749 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 19 5.741 -11.008 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.999 -13.024 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.168 -11.728 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.034 -13.083 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.319 -11.724 0.152 1.00 0.00 H new ATOM 255 N ALA A 20 4.598 -12.660 -0.745 1.00 0.00 N ATOM 256 CA ALA A 20 3.648 -13.222 0.207 1.00 0.00 C ATOM 257 C ALA A 20 3.174 -14.601 -0.240 1.00 0.00 C ATOM 258 O ALA A 20 3.502 -15.057 -1.336 1.00 0.00 O ATOM 259 CB ALA A 20 2.461 -12.286 0.383 1.00 0.00 C ATOM 0 H ALA A 20 4.628 -13.140 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 20 4.155 -13.333 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.760 -12.718 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.809 -11.322 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.963 -12.146 -0.576 1.00 0.00 H new ATOM 265 N VAL A 21 2.401 -15.263 0.616 1.00 0.00 N ATOM 266 CA VAL A 21 1.882 -16.590 0.309 1.00 0.00 C ATOM 267 C VAL A 21 0.421 -16.523 -0.121 1.00 0.00 C ATOM 268 O VAL A 21 -0.326 -15.651 0.321 1.00 0.00 O ATOM 269 CB VAL A 21 2.006 -17.535 1.519 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.446 -18.909 1.184 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.456 -17.636 1.969 1.00 0.00 C ATOM 0 H VAL A 21 2.121 -14.901 1.528 1.00 0.00 H new ATOM 0 HA VAL A 21 2.482 -16.982 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 21 1.422 -17.122 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.542 -19.563 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.394 -18.817 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.000 -19.333 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.525 -18.308 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.064 -18.025 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.819 -16.648 2.253 1.00 0.00 H new ATOM 281 N GLU A 22 0.022 -17.450 -0.986 1.00 0.00 N ATOM 282 CA GLU A 22 -1.351 -17.495 -1.477 1.00 0.00 C ATOM 283 C GLU A 22 -2.340 -17.592 -0.319 1.00 0.00 C ATOM 284 O GLU A 22 -2.127 -18.343 0.632 1.00 0.00 O ATOM 285 CB GLU A 22 -1.539 -18.683 -2.423 1.00 0.00 C ATOM 286 CG GLU A 22 -1.175 -18.375 -3.866 1.00 0.00 C ATOM 287 CD GLU A 22 -1.954 -19.218 -4.856 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.473 -20.316 -5.208 1.00 0.00 O ATOM 289 OE2 GLU A 22 -3.044 -18.781 -5.281 1.00 0.00 O ATOM 0 H GLU A 22 0.629 -18.179 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.545 -16.571 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.929 -19.516 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.578 -19.009 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.362 -17.320 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.108 -18.543 -4.012 1.00 0.00 H new ATOM 296 N GLY A 23 -3.422 -16.824 -0.406 1.00 0.00 N ATOM 297 CA GLY A 23 -4.427 -16.837 0.640 1.00 0.00 C ATOM 298 C GLY A 23 -4.112 -15.863 1.759 1.00 0.00 C ATOM 299 O GLY A 23 -5.007 -15.432 2.486 1.00 0.00 O ATOM 0 H GLY A 23 -3.620 -16.193 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.398 -16.590 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.507 -17.844 1.050 1.00 0.00 H new ATOM 303 N ALA A 24 -2.837 -15.516 1.898 1.00 0.00 N ATOM 304 CA ALA A 24 -2.406 -14.587 2.935 1.00 0.00 C ATOM 305 C ALA A 24 -2.785 -13.153 2.579 1.00 0.00 C ATOM 306 O ALA A 24 -3.341 -12.893 1.511 1.00 0.00 O ATOM 307 CB ALA A 24 -0.905 -14.699 3.154 1.00 0.00 C ATOM 0 H ALA A 24 -2.084 -15.865 1.305 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.917 -14.852 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.597 -13.999 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.657 -15.715 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.383 -14.463 2.226 1.00 0.00 H new ATOM 313 N THR A 25 -2.482 -12.225 3.481 1.00 0.00 N ATOM 314 CA THR A 25 -2.792 -10.818 3.263 1.00 0.00 C ATOM 315 C THR A 25 -1.522 -9.999 3.065 1.00 0.00 C ATOM 316 O THR A 25 -0.737 -9.818 3.996 1.00 0.00 O ATOM 317 CB THR A 25 -3.590 -10.229 4.442 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.885 -10.838 4.510 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.740 -8.722 4.296 1.00 0.00 C ATOM 0 H THR A 25 -2.022 -12.423 4.370 1.00 0.00 H new ATOM 0 HA THR A 25 -3.400 -10.765 2.360 1.00 0.00 H new ATOM 0 HB THR A 25 -3.042 -10.436 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.385 -10.460 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.307 -8.329 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.754 -8.259 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.267 -8.497 3.369 1.00 0.00 H new ATOM 327 N ALA A 26 -1.326 -9.504 1.847 1.00 0.00 N ATOM 328 CA ALA A 26 -0.152 -8.702 1.529 1.00 0.00 C ATOM 329 C ALA A 26 -0.057 -7.481 2.438 1.00 0.00 C ATOM 330 O ALA A 26 -0.921 -7.260 3.286 1.00 0.00 O ATOM 331 CB ALA A 26 -0.186 -8.273 0.069 1.00 0.00 C ATOM 0 H ALA A 26 -1.965 -9.645 1.065 1.00 0.00 H new ATOM 0 HA ALA A 26 0.733 -9.316 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.697 -7.674 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.197 -9.156 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.082 -7.681 -0.115 1.00 0.00 H new ATOM 337 N MET A 27 0.997 -6.693 2.256 1.00 0.00 N ATOM 338 CA MET A 27 1.203 -5.495 3.060 1.00 0.00 C ATOM 339 C MET A 27 2.014 -4.457 2.291 1.00 0.00 C ATOM 340 O MET A 27 3.224 -4.608 2.111 1.00 0.00 O ATOM 341 CB MET A 27 1.914 -5.848 4.368 1.00 0.00 C ATOM 342 CG MET A 27 2.210 -4.642 5.244 1.00 0.00 C ATOM 343 SD MET A 27 0.756 -4.059 6.137 1.00 0.00 S ATOM 344 CE MET A 27 0.326 -2.611 5.175 1.00 0.00 C ATOM 0 H MET A 27 1.722 -6.863 1.559 1.00 0.00 H new ATOM 0 HA MET A 27 0.226 -5.070 3.290 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.298 -6.551 4.928 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.850 -6.357 4.137 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.991 -4.900 5.959 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.599 -3.834 4.624 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.741 -2.627 4.951 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.564 -1.712 5.744 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.893 -2.611 4.244 1.00 0.00 H new ATOM 354 N LEU A 28 1.343 -3.403 1.840 1.00 0.00 N ATOM 355 CA LEU A 28 2.002 -2.339 1.090 1.00 0.00 C ATOM 356 C LEU A 28 1.772 -0.984 1.751 1.00 0.00 C ATOM 357 O LEU A 28 0.646 -0.489 1.799 1.00 0.00 O ATOM 358 CB LEU A 28 1.488 -2.311 -0.350 1.00 0.00 C ATOM 359 CG LEU A 28 1.891 -3.494 -1.231 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.935 -3.637 -2.404 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.322 -3.329 -1.723 1.00 0.00 C ATOM 0 H LEU A 28 0.343 -3.262 1.981 1.00 0.00 H new ATOM 0 HA LEU A 28 3.073 -2.542 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.400 -2.257 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.842 -1.395 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 28 1.836 -4.403 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.238 -4.484 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.076 -3.803 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.956 -2.727 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.592 -4.180 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.403 -2.411 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.997 -3.278 -0.869 1.00 0.00 H new ATOM 373 N TRP A 29 2.846 -0.389 2.257 1.00 0.00 N ATOM 374 CA TRP A 29 2.762 0.911 2.914 1.00 0.00 C ATOM 375 C TRP A 29 3.670 1.926 2.229 1.00 0.00 C ATOM 376 O TRP A 29 4.598 1.556 1.509 1.00 0.00 O ATOM 377 CB TRP A 29 3.139 0.784 4.391 1.00 0.00 C ATOM 378 CG TRP A 29 4.579 0.432 4.608 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.096 -0.816 4.809 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.687 1.339 4.647 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.459 -0.740 4.972 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.846 0.571 4.875 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.813 2.723 4.509 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.111 1.144 4.970 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.069 3.291 4.604 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.205 2.502 4.832 1.00 0.00 C ATOM 0 H TRP A 29 3.785 -0.786 2.225 1.00 0.00 H new ATOM 0 HA TRP A 29 1.733 1.263 2.839 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.922 1.725 4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.512 0.022 4.854 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.519 -1.729 4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.081 -1.531 5.138 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.944 3.339 4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.987 0.538 5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.177 4.361 4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.173 2.975 4.900 1.00 0.00 H new ATOM 397 N CYS A 30 3.398 3.206 2.458 1.00 0.00 N ATOM 398 CA CYS A 30 4.191 4.275 1.863 1.00 0.00 C ATOM 399 C CYS A 30 4.088 5.553 2.688 1.00 0.00 C ATOM 400 O CYS A 30 3.073 5.804 3.336 1.00 0.00 O ATOM 401 CB CYS A 30 3.731 4.541 0.429 1.00 0.00 C ATOM 402 SG CYS A 30 1.977 4.953 0.280 1.00 0.00 S ATOM 0 H CYS A 30 2.634 3.529 3.052 1.00 0.00 H new ATOM 0 HA CYS A 30 5.233 3.956 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.321 5.358 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.939 3.659 -0.177 1.00 0.00 H new ATOM 0 HG CYS A 30 1.537 4.566 -0.881 1.00 0.00 H new ATOM 408 N GLU A 31 5.147 6.357 2.660 1.00 0.00 N ATOM 409 CA GLU A 31 5.175 7.608 3.409 1.00 0.00 C ATOM 410 C GLU A 31 5.065 8.806 2.470 1.00 0.00 C ATOM 411 O GLU A 31 5.314 8.693 1.269 1.00 0.00 O ATOM 412 CB GLU A 31 6.462 7.707 4.231 1.00 0.00 C ATOM 413 CG GLU A 31 6.339 7.121 5.627 1.00 0.00 C ATOM 414 CD GLU A 31 7.653 7.136 6.384 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.470 6.215 6.174 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.864 8.069 7.187 1.00 0.00 O ATOM 0 H GLU A 31 5.995 6.164 2.128 1.00 0.00 H new ATOM 0 HA GLU A 31 4.319 7.617 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.263 7.193 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.753 8.754 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.594 7.684 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.977 6.095 5.556 1.00 0.00 H new ATOM 423 N LEU A 32 4.689 9.952 3.026 1.00 0.00 N ATOM 424 CA LEU A 32 4.545 11.173 2.239 1.00 0.00 C ATOM 425 C LEU A 32 5.005 12.391 3.034 1.00 0.00 C ATOM 426 O LEU A 32 5.073 12.353 4.263 1.00 0.00 O ATOM 427 CB LEU A 32 3.090 11.353 1.804 1.00 0.00 C ATOM 428 CG LEU A 32 2.368 10.089 1.335 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.864 10.240 1.504 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.715 9.784 -0.115 1.00 0.00 C ATOM 0 H LEU A 32 4.478 10.062 4.018 1.00 0.00 H new ATOM 0 HA LEU A 32 5.174 11.082 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.532 11.777 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.061 12.085 0.996 1.00 0.00 H new ATOM 0 HG LEU A 32 2.701 9.254 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.367 9.331 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.631 10.411 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.515 11.087 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.193 8.881 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.411 10.620 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.790 9.632 -0.208 1.00 0.00 H new ATOM 442 N SER A 33 5.317 13.471 2.325 1.00 0.00 N ATOM 443 CA SER A 33 5.771 14.700 2.964 1.00 0.00 C ATOM 444 C SER A 33 4.687 15.273 3.872 1.00 0.00 C ATOM 445 O SER A 33 4.940 16.183 4.662 1.00 0.00 O ATOM 446 CB SER A 33 6.166 15.733 1.907 1.00 0.00 C ATOM 447 OG SER A 33 6.771 16.867 2.504 1.00 0.00 O ATOM 0 H SER A 33 5.264 13.520 1.308 1.00 0.00 H new ATOM 0 HA SER A 33 6.643 14.463 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.856 15.282 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.283 16.041 1.347 1.00 0.00 H new ATOM 0 HG SER A 33 6.487 16.935 3.440 1.00 0.00 H new ATOM 453 N LYS A 34 3.479 14.733 3.754 1.00 0.00 N ATOM 454 CA LYS A 34 2.355 15.188 4.564 1.00 0.00 C ATOM 455 C LYS A 34 1.214 14.176 4.527 1.00 0.00 C ATOM 456 O LYS A 34 1.191 13.281 3.682 1.00 0.00 O ATOM 457 CB LYS A 34 1.861 16.549 4.068 1.00 0.00 C ATOM 458 CG LYS A 34 2.011 16.742 2.569 1.00 0.00 C ATOM 459 CD LYS A 34 1.328 18.015 2.100 1.00 0.00 C ATOM 460 CE LYS A 34 -0.151 17.788 1.830 1.00 0.00 C ATOM 461 NZ LYS A 34 -0.963 17.884 3.074 1.00 0.00 N ATOM 0 H LYS A 34 3.253 13.979 3.105 1.00 0.00 H new ATOM 0 HA LYS A 34 2.697 15.286 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.811 16.665 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.411 17.336 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.069 16.779 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.585 15.886 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.446 18.792 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.813 18.376 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.505 18.523 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.291 16.805 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.820 18.442 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.233 16.930 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.404 18.347 3.819 1.00 0.00 H new ATOM 475 N VAL A 35 0.266 14.326 5.447 1.00 0.00 N ATOM 476 CA VAL A 35 -0.879 13.427 5.518 1.00 0.00 C ATOM 477 C VAL A 35 -1.906 13.760 4.442 1.00 0.00 C ATOM 478 O VAL A 35 -2.667 14.719 4.570 1.00 0.00 O ATOM 479 CB VAL A 35 -1.559 13.492 6.899 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.657 12.444 7.004 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.533 13.314 8.007 1.00 0.00 C ATOM 0 H VAL A 35 0.269 15.062 6.153 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.500 12.418 5.355 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.016 14.475 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.126 12.505 7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.406 12.623 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.227 11.452 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.031 13.363 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.045 12.346 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.213 14.106 7.943 1.00 0.00 H new ATOM 491 N ALA A 36 -1.923 12.961 3.380 1.00 0.00 N ATOM 492 CA ALA A 36 -2.858 13.169 2.282 1.00 0.00 C ATOM 493 C ALA A 36 -3.512 11.857 1.861 1.00 0.00 C ATOM 494 O ALA A 36 -2.949 10.774 2.026 1.00 0.00 O ATOM 495 CB ALA A 36 -2.149 13.811 1.099 1.00 0.00 C ATOM 0 H ALA A 36 -1.299 12.163 3.257 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.643 13.841 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.860 13.960 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.736 14.773 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.343 13.160 0.761 1.00 0.00 H new ATOM 501 N PRO A 37 -4.728 11.952 1.304 1.00 0.00 N ATOM 502 CA PRO A 37 -5.484 10.782 0.848 1.00 0.00 C ATOM 503 C PRO A 37 -4.863 10.135 -0.385 1.00 0.00 C ATOM 504 O PRO A 37 -4.802 10.744 -1.454 1.00 0.00 O ATOM 505 CB PRO A 37 -6.862 11.358 0.513 1.00 0.00 C ATOM 506 CG PRO A 37 -6.607 12.792 0.199 1.00 0.00 C ATOM 507 CD PRO A 37 -5.459 13.210 1.076 1.00 0.00 C ATOM 0 HA PRO A 37 -5.508 9.994 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.312 10.841 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.550 11.253 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.361 12.923 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.491 13.398 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.832 13.956 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.807 13.648 2.012 1.00 0.00 H new ATOM 515 N VAL A 38 -4.403 8.897 -0.231 1.00 0.00 N ATOM 516 CA VAL A 38 -3.788 8.167 -1.332 1.00 0.00 C ATOM 517 C VAL A 38 -4.807 7.285 -2.044 1.00 0.00 C ATOM 518 O VAL A 38 -5.935 7.125 -1.579 1.00 0.00 O ATOM 519 CB VAL A 38 -2.620 7.291 -0.842 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.496 8.157 -0.294 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.101 6.300 0.207 1.00 0.00 C ATOM 0 H VAL A 38 -4.445 8.379 0.647 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.406 8.911 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.231 6.727 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.680 7.520 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.134 8.822 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.868 8.750 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.263 5.689 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.517 6.842 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.868 5.657 -0.224 1.00 0.00 H new ATOM 531 N GLU A 39 -4.401 6.713 -3.173 1.00 0.00 N ATOM 532 CA GLU A 39 -5.280 5.846 -3.949 1.00 0.00 C ATOM 533 C GLU A 39 -4.501 4.683 -4.555 1.00 0.00 C ATOM 534 O GLU A 39 -3.724 4.864 -5.493 1.00 0.00 O ATOM 535 CB GLU A 39 -5.972 6.644 -5.057 1.00 0.00 C ATOM 536 CG GLU A 39 -6.481 8.001 -4.603 1.00 0.00 C ATOM 537 CD GLU A 39 -7.587 8.537 -5.491 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.643 7.878 -5.587 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.395 9.615 -6.092 1.00 0.00 O ATOM 0 H GLU A 39 -3.470 6.834 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.036 5.442 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.274 6.785 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.809 6.062 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.848 7.923 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.653 8.710 -4.592 1.00 0.00 H new ATOM 546 N TRP A 40 -4.714 3.490 -4.013 1.00 0.00 N ATOM 547 CA TRP A 40 -4.031 2.296 -4.499 1.00 0.00 C ATOM 548 C TRP A 40 -4.721 1.743 -5.741 1.00 0.00 C ATOM 549 O TRP A 40 -5.944 1.608 -5.775 1.00 0.00 O ATOM 550 CB TRP A 40 -3.987 1.228 -3.406 1.00 0.00 C ATOM 551 CG TRP A 40 -3.493 1.745 -2.089 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.194 2.493 -1.187 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.189 1.554 -1.528 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.405 2.779 -0.099 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.171 2.214 -0.283 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.037 0.890 -1.955 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.045 2.227 0.535 1.00 0.00 C ATOM 558 CZ3 TRP A 40 0.080 0.904 -1.141 1.00 0.00 C ATOM 559 CH2 TRP A 40 0.070 1.568 0.092 1.00 0.00 C ATOM 0 H TRP A 40 -5.354 3.323 -3.237 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.011 2.574 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.986 0.813 -3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.343 0.411 -3.732 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.218 2.813 -1.311 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.692 3.324 0.714 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.019 0.375 -2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.051 2.739 1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.976 0.394 -1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.959 1.560 0.705 1.00 0.00 H new ATOM 570 N ARG A 41 -3.929 1.423 -6.760 1.00 0.00 N ATOM 571 CA ARG A 41 -4.465 0.885 -8.004 1.00 0.00 C ATOM 572 C ARG A 41 -3.587 -0.248 -8.529 1.00 0.00 C ATOM 573 O ARG A 41 -2.419 -0.366 -8.158 1.00 0.00 O ATOM 574 CB ARG A 41 -4.574 1.989 -9.057 1.00 0.00 C ATOM 575 CG ARG A 41 -5.840 2.821 -8.938 1.00 0.00 C ATOM 576 CD ARG A 41 -5.847 3.971 -9.933 1.00 0.00 C ATOM 577 NE ARG A 41 -6.421 3.579 -11.218 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.725 2.991 -12.185 1.00 0.00 C ATOM 579 NH1 ARG A 41 -4.437 2.728 -12.013 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.318 2.665 -13.326 1.00 0.00 N ATOM 0 H ARG A 41 -2.914 1.527 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.459 0.487 -7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.708 2.646 -8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.537 1.538 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.710 2.187 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.924 3.214 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.416 4.804 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.828 4.326 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.410 3.767 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.978 2.977 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.905 2.276 -12.757 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.309 2.866 -13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.783 2.214 -14.068 1.00 0.00 H new ATOM 594 N LYS A 42 -4.158 -1.080 -9.393 1.00 0.00 N ATOM 595 CA LYS A 42 -3.429 -2.203 -9.971 1.00 0.00 C ATOM 596 C LYS A 42 -3.657 -2.283 -11.477 1.00 0.00 C ATOM 597 O LYS A 42 -4.517 -3.027 -11.946 1.00 0.00 O ATOM 598 CB LYS A 42 -3.863 -3.513 -9.308 1.00 0.00 C ATOM 599 CG LYS A 42 -2.929 -4.677 -9.594 1.00 0.00 C ATOM 600 CD LYS A 42 -3.292 -5.898 -8.766 1.00 0.00 C ATOM 601 CE LYS A 42 -2.740 -7.174 -9.384 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.396 -7.490 -10.683 1.00 0.00 N ATOM 0 H LYS A 42 -5.124 -0.998 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.366 -2.046 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.923 -3.363 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.865 -3.769 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.973 -4.928 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.902 -4.382 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.901 -5.783 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.376 -5.973 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.666 -7.069 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.884 -8.004 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.303 -8.507 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.404 -7.238 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.940 -6.947 -11.443 1.00 0.00 H new ATOM 616 N GLY A 43 -2.878 -1.512 -12.230 1.00 0.00 N ATOM 617 CA GLY A 43 -3.010 -1.512 -13.675 1.00 0.00 C ATOM 618 C GLY A 43 -4.438 -1.278 -14.128 1.00 0.00 C ATOM 619 O GLY A 43 -5.036 -0.238 -13.853 1.00 0.00 O ATOM 0 H GLY A 43 -2.158 -0.888 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.368 -0.738 -14.095 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.659 -2.466 -14.069 1.00 0.00 H new ATOM 623 N PRO A 44 -5.006 -2.263 -14.839 1.00 0.00 N ATOM 624 CA PRO A 44 -6.379 -2.183 -15.347 1.00 0.00 C ATOM 625 C PRO A 44 -7.414 -2.259 -14.230 1.00 0.00 C ATOM 626 O PRO A 44 -8.595 -1.988 -14.448 1.00 0.00 O ATOM 627 CB PRO A 44 -6.490 -3.403 -16.264 1.00 0.00 C ATOM 628 CG PRO A 44 -5.482 -4.366 -15.738 1.00 0.00 C ATOM 629 CD PRO A 44 -4.351 -3.531 -15.203 1.00 0.00 C ATOM 0 HA PRO A 44 -6.573 -1.236 -15.851 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.494 -3.827 -16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.282 -3.139 -17.301 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.911 -4.990 -14.954 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.134 -5.036 -16.525 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.878 -4.001 -14.341 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.573 -3.381 -15.952 1.00 0.00 H new ATOM 637 N GLU A 45 -6.964 -2.631 -13.036 1.00 0.00 N ATOM 638 CA GLU A 45 -7.854 -2.743 -11.886 1.00 0.00 C ATOM 639 C GLU A 45 -7.816 -1.472 -11.043 1.00 0.00 C ATOM 640 O GLU A 45 -6.985 -0.592 -11.264 1.00 0.00 O ATOM 641 CB GLU A 45 -7.466 -3.949 -11.029 1.00 0.00 C ATOM 642 CG GLU A 45 -8.138 -5.243 -11.458 1.00 0.00 C ATOM 643 CD GLU A 45 -7.925 -6.368 -10.464 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.863 -7.022 -10.526 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.821 -6.594 -9.624 1.00 0.00 O ATOM 0 H GLU A 45 -5.990 -2.860 -12.840 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.870 -2.882 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.385 -4.080 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.723 -3.743 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.207 -5.069 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.750 -5.544 -12.431 1.00 0.00 H new ATOM 652 N ASN A 46 -8.723 -1.384 -10.075 1.00 0.00 N ATOM 653 CA ASN A 46 -8.794 -0.220 -9.198 1.00 0.00 C ATOM 654 C ASN A 46 -9.032 -0.643 -7.752 1.00 0.00 C ATOM 655 O ASN A 46 -10.116 -1.109 -7.400 1.00 0.00 O ATOM 656 CB ASN A 46 -9.910 0.722 -9.656 1.00 0.00 C ATOM 657 CG ASN A 46 -11.194 -0.017 -9.980 1.00 0.00 C ATOM 658 OD1 ASN A 46 -12.097 -0.109 -9.149 1.00 0.00 O ATOM 659 ND2 ASN A 46 -11.280 -0.549 -11.194 1.00 0.00 N ATOM 0 H ASN A 46 -9.418 -2.104 -9.878 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.840 0.304 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.104 1.457 -8.875 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.579 1.272 -10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.120 -1.059 -11.469 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.506 -0.448 -11.851 1.00 0.00 H new ATOM 666 N LEU A 47 -8.012 -0.476 -6.917 1.00 0.00 N ATOM 667 CA LEU A 47 -8.109 -0.840 -5.508 1.00 0.00 C ATOM 668 C LEU A 47 -8.650 0.323 -4.682 1.00 0.00 C ATOM 669 O LEU A 47 -8.514 1.485 -5.065 1.00 0.00 O ATOM 670 CB LEU A 47 -6.740 -1.265 -4.975 1.00 0.00 C ATOM 671 CG LEU A 47 -5.871 -2.081 -5.933 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.631 -2.599 -5.219 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.668 -3.234 -6.525 1.00 0.00 C ATOM 0 H LEU A 47 -7.108 -0.091 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.801 -1.677 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.189 -0.369 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.891 -1.848 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.552 -1.430 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.025 -3.177 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.049 -1.757 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.930 -3.234 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.034 -3.804 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.017 -3.884 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.525 -2.841 -7.072 1.00 0.00 H new ATOM 685 N ARG A 48 -9.261 0.001 -3.547 1.00 0.00 N ATOM 686 CA ARG A 48 -9.822 1.019 -2.666 1.00 0.00 C ATOM 687 C ARG A 48 -10.212 0.417 -1.319 1.00 0.00 C ATOM 688 O ARG A 48 -10.380 -0.796 -1.195 1.00 0.00 O ATOM 689 CB ARG A 48 -11.042 1.672 -3.318 1.00 0.00 C ATOM 690 CG ARG A 48 -12.220 0.727 -3.489 1.00 0.00 C ATOM 691 CD ARG A 48 -13.120 0.731 -2.263 1.00 0.00 C ATOM 692 NE ARG A 48 -14.149 1.764 -2.342 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.155 1.733 -3.209 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.267 0.727 -4.065 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.053 2.711 -3.220 1.00 0.00 N ATOM 0 H ARG A 48 -9.380 -0.956 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.059 1.779 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.355 2.523 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.756 2.063 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.797 1.018 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.854 -0.284 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.594 -0.245 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.515 0.889 -1.370 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.092 2.552 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.579 -0.026 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.041 0.706 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.971 3.487 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.825 2.687 -3.886 1.00 0.00 H new ATOM 709 N ASP A 49 -10.354 1.274 -0.313 1.00 0.00 N ATOM 710 CA ASP A 49 -10.725 0.827 1.025 1.00 0.00 C ATOM 711 C ASP A 49 -12.076 0.119 1.006 1.00 0.00 C ATOM 712 O ASP A 49 -13.108 0.737 0.748 1.00 0.00 O ATOM 713 CB ASP A 49 -10.770 2.015 1.987 1.00 0.00 C ATOM 714 CG ASP A 49 -10.840 1.581 3.438 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.797 0.865 3.798 1.00 0.00 O ATOM 716 OD2 ASP A 49 -9.937 1.959 4.215 1.00 0.00 O ATOM 0 H ASP A 49 -10.218 2.281 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.970 0.120 1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.885 2.634 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.635 2.635 1.754 1.00 0.00 H new ATOM 721 N GLY A 50 -12.060 -1.182 1.280 1.00 0.00 N ATOM 722 CA GLY A 50 -13.290 -1.953 1.288 1.00 0.00 C ATOM 723 C GLY A 50 -13.165 -3.235 2.086 1.00 0.00 C ATOM 724 O GLY A 50 -12.266 -3.373 2.917 1.00 0.00 O ATOM 0 H GLY A 50 -11.218 -1.716 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.093 -1.346 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.572 -2.193 0.263 1.00 0.00 H new ATOM 728 N ASP A 51 -14.069 -4.176 1.836 1.00 0.00 N ATOM 729 CA ASP A 51 -14.056 -5.455 2.538 1.00 0.00 C ATOM 730 C ASP A 51 -12.876 -6.310 2.088 1.00 0.00 C ATOM 731 O ASP A 51 -12.065 -6.746 2.905 1.00 0.00 O ATOM 732 CB ASP A 51 -15.367 -6.205 2.299 1.00 0.00 C ATOM 733 CG ASP A 51 -16.516 -5.637 3.108 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.589 -5.930 4.320 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.342 -4.900 2.531 1.00 0.00 O ATOM 0 H ASP A 51 -14.820 -4.078 1.153 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.950 -5.255 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.618 -6.163 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.232 -7.256 2.554 1.00 0.00 H new ATOM 740 N ARG A 52 -12.787 -6.547 0.783 1.00 0.00 N ATOM 741 CA ARG A 52 -11.708 -7.353 0.224 1.00 0.00 C ATOM 742 C ARG A 52 -10.358 -6.675 0.437 1.00 0.00 C ATOM 743 O ARG A 52 -9.339 -7.342 0.618 1.00 0.00 O ATOM 744 CB ARG A 52 -11.941 -7.591 -1.269 1.00 0.00 C ATOM 745 CG ARG A 52 -13.340 -8.089 -1.595 1.00 0.00 C ATOM 746 CD ARG A 52 -13.566 -8.171 -3.096 1.00 0.00 C ATOM 747 NE ARG A 52 -12.888 -9.321 -3.689 1.00 0.00 N ATOM 748 CZ ARG A 52 -12.790 -9.521 -4.999 1.00 0.00 C ATOM 749 NH1 ARG A 52 -13.323 -8.652 -5.847 1.00 0.00 N ATOM 750 NH2 ARG A 52 -12.157 -10.591 -5.462 1.00 0.00 N ATOM 0 H ARG A 52 -13.449 -6.192 0.093 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.700 -8.313 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.760 -6.662 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.213 -8.317 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.491 -9.072 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.078 -7.421 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.635 -8.236 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.207 -7.256 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.467 -10.008 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.809 -7.828 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.246 -8.808 -6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.745 -11.261 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.082 -10.744 -6.468 1.00 0.00 H new ATOM 764 N TYR A 53 -10.358 -5.347 0.413 1.00 0.00 N ATOM 765 CA TYR A 53 -9.133 -4.578 0.601 1.00 0.00 C ATOM 766 C TYR A 53 -9.198 -3.753 1.882 1.00 0.00 C ATOM 767 O TYR A 53 -10.079 -2.908 2.045 1.00 0.00 O ATOM 768 CB TYR A 53 -8.894 -3.660 -0.599 1.00 0.00 C ATOM 769 CG TYR A 53 -8.795 -4.397 -1.915 1.00 0.00 C ATOM 770 CD1 TYR A 53 -9.935 -4.724 -2.639 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.560 -4.765 -2.436 1.00 0.00 C ATOM 772 CE1 TYR A 53 -9.849 -5.397 -3.842 1.00 0.00 C ATOM 773 CE2 TYR A 53 -7.465 -5.438 -3.639 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.612 -5.752 -4.338 1.00 0.00 C ATOM 775 OH TYR A 53 -8.522 -6.422 -5.536 1.00 0.00 O ATOM 0 H TYR A 53 -11.193 -4.780 0.265 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.303 -5.280 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.706 -2.935 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.975 -3.097 -0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.905 -4.447 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.660 -4.521 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.745 -5.644 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.498 -5.717 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.580 -6.596 -5.743 1.00 0.00 H new ATOM 785 N ILE A 54 -8.259 -4.005 2.788 1.00 0.00 N ATOM 786 CA ILE A 54 -8.208 -3.285 4.054 1.00 0.00 C ATOM 787 C ILE A 54 -7.205 -2.137 3.994 1.00 0.00 C ATOM 788 O ILE A 54 -5.998 -2.345 4.128 1.00 0.00 O ATOM 789 CB ILE A 54 -7.831 -4.220 5.219 1.00 0.00 C ATOM 790 CG1 ILE A 54 -8.832 -5.372 5.320 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.776 -3.443 6.526 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.313 -6.557 6.104 1.00 0.00 C ATOM 0 H ILE A 54 -7.524 -4.702 2.669 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.206 -2.884 4.229 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.843 -4.637 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.746 -5.008 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.099 -5.700 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.508 -4.118 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.029 -2.653 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.752 -3.001 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.076 -7.335 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.416 -6.947 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.073 -6.244 7.120 1.00 0.00 H new ATOM 804 N LEU A 55 -7.712 -0.926 3.794 1.00 0.00 N ATOM 805 CA LEU A 55 -6.861 0.257 3.718 1.00 0.00 C ATOM 806 C LEU A 55 -6.868 1.018 5.040 1.00 0.00 C ATOM 807 O LEU A 55 -7.862 1.011 5.766 1.00 0.00 O ATOM 808 CB LEU A 55 -7.328 1.173 2.586 1.00 0.00 C ATOM 809 CG LEU A 55 -7.134 0.639 1.166 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.777 1.053 0.621 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.281 -0.876 1.142 1.00 0.00 C ATOM 0 H LEU A 55 -8.708 -0.737 3.681 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.842 -0.071 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.387 1.385 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.798 2.122 2.671 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.905 1.070 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.657 0.664 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.709 2.141 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.990 0.652 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.140 -1.239 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.532 -1.325 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.277 -1.151 1.490 1.00 0.00 H new ATOM 823 N ARG A 56 -5.754 1.675 5.343 1.00 0.00 N ATOM 824 CA ARG A 56 -5.632 2.443 6.577 1.00 0.00 C ATOM 825 C ARG A 56 -4.613 3.568 6.419 1.00 0.00 C ATOM 826 O ARG A 56 -3.740 3.510 5.553 1.00 0.00 O ATOM 827 CB ARG A 56 -5.221 1.529 7.733 1.00 0.00 C ATOM 828 CG ARG A 56 -6.394 0.837 8.408 1.00 0.00 C ATOM 829 CD ARG A 56 -5.946 0.037 9.621 1.00 0.00 C ATOM 830 NE ARG A 56 -7.066 -0.311 10.491 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.922 -0.727 11.745 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.711 -0.845 12.272 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.990 -1.025 12.474 1.00 0.00 N ATOM 0 H ARG A 56 -4.923 1.691 4.752 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.604 2.884 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.530 0.773 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.680 2.116 8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.130 1.581 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.886 0.175 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.447 -0.874 9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.214 0.614 10.186 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.011 -0.230 10.116 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.888 -0.616 11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.603 -1.164 13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.923 -0.935 12.072 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.878 -1.344 13.436 1.00 0.00 H new ATOM 847 N GLN A 57 -4.733 4.590 7.260 1.00 0.00 N ATOM 848 CA GLN A 57 -3.824 5.729 7.211 1.00 0.00 C ATOM 849 C GLN A 57 -3.626 6.327 8.601 1.00 0.00 C ATOM 850 O GLN A 57 -4.545 6.913 9.171 1.00 0.00 O ATOM 851 CB GLN A 57 -4.360 6.797 6.256 1.00 0.00 C ATOM 852 CG GLN A 57 -3.357 7.896 5.948 1.00 0.00 C ATOM 853 CD GLN A 57 -3.897 8.922 4.971 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.106 9.013 4.753 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.003 9.703 4.376 1.00 0.00 N ATOM 0 H GLN A 57 -5.450 4.653 7.983 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.860 5.376 6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.662 6.320 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.255 7.244 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.075 8.396 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.451 7.451 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.011 9.594 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.309 10.412 3.709 1.00 0.00 H new ATOM 864 N GLU A 58 -2.420 6.173 9.139 1.00 0.00 N ATOM 865 CA GLU A 58 -2.103 6.697 10.462 1.00 0.00 C ATOM 866 C GLU A 58 -1.298 7.990 10.357 1.00 0.00 C ATOM 867 O GLU A 58 -0.568 8.356 11.277 1.00 0.00 O ATOM 868 CB GLU A 58 -1.320 5.661 11.271 1.00 0.00 C ATOM 869 CG GLU A 58 -2.201 4.630 11.955 1.00 0.00 C ATOM 870 CD GLU A 58 -3.369 5.257 12.691 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.126 6.104 13.576 1.00 0.00 O ATOM 872 OE2 GLU A 58 -4.526 4.902 12.382 1.00 0.00 O ATOM 0 H GLU A 58 -1.648 5.690 8.680 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.041 6.914 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.622 5.148 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.725 6.176 12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.579 3.930 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.600 4.054 12.659 1.00 0.00 H new ATOM 879 N GLY A 59 -1.438 8.677 9.228 1.00 0.00 N ATOM 880 CA GLY A 59 -0.719 9.920 9.022 1.00 0.00 C ATOM 881 C GLY A 59 0.024 9.948 7.701 1.00 0.00 C ATOM 882 O GLY A 59 -0.455 9.418 6.698 1.00 0.00 O ATOM 0 H GLY A 59 -2.037 8.395 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.421 10.753 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.010 10.066 9.837 1.00 0.00 H new ATOM 886 N THR A 60 1.199 10.571 7.698 1.00 0.00 N ATOM 887 CA THR A 60 2.009 10.669 6.490 1.00 0.00 C ATOM 888 C THR A 60 2.270 9.292 5.890 1.00 0.00 C ATOM 889 O THR A 60 2.665 9.175 4.730 1.00 0.00 O ATOM 890 CB THR A 60 3.357 11.358 6.772 1.00 0.00 C ATOM 891 OG1 THR A 60 3.915 10.861 7.994 1.00 0.00 O ATOM 892 CG2 THR A 60 3.186 12.866 6.864 1.00 0.00 C ATOM 0 H THR A 60 1.611 11.015 8.519 1.00 0.00 H new ATOM 0 HA THR A 60 1.444 11.271 5.778 1.00 0.00 H new ATOM 0 HB THR A 60 4.033 11.135 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.773 11.303 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.152 13.330 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.789 13.245 5.922 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.495 13.105 7.672 1.00 0.00 H new ATOM 900 N ARG A 61 2.046 8.252 6.686 1.00 0.00 N ATOM 901 CA ARG A 61 2.258 6.883 6.233 1.00 0.00 C ATOM 902 C ARG A 61 0.927 6.170 6.016 1.00 0.00 C ATOM 903 O ARG A 61 -0.004 6.317 6.808 1.00 0.00 O ATOM 904 CB ARG A 61 3.102 6.111 7.250 1.00 0.00 C ATOM 905 CG ARG A 61 3.186 4.621 6.965 1.00 0.00 C ATOM 906 CD ARG A 61 3.407 3.822 8.240 1.00 0.00 C ATOM 907 NE ARG A 61 2.943 2.443 8.109 1.00 0.00 N ATOM 908 CZ ARG A 61 2.952 1.567 9.108 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.397 1.925 10.304 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.513 0.331 8.911 1.00 0.00 N ATOM 0 H ARG A 61 1.718 8.332 7.648 1.00 0.00 H new ATOM 0 HA ARG A 61 2.790 6.920 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.109 6.527 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.682 6.259 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.267 4.290 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.001 4.428 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.468 3.825 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.883 4.304 9.065 1.00 0.00 H new ATOM 0 HE ARG A 61 2.593 2.136 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.734 2.875 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.403 1.250 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.168 0.053 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.520 -0.341 9.678 1.00 0.00 H new ATOM 924 N CYS A 62 0.844 5.398 4.938 1.00 0.00 N ATOM 925 CA CYS A 62 -0.374 4.663 4.615 1.00 0.00 C ATOM 926 C CYS A 62 -0.156 3.160 4.757 1.00 0.00 C ATOM 927 O CYS A 62 0.959 2.707 5.013 1.00 0.00 O ATOM 928 CB CYS A 62 -0.831 4.992 3.193 1.00 0.00 C ATOM 929 SG CYS A 62 -0.930 6.763 2.841 1.00 0.00 S ATOM 0 H CYS A 62 1.606 5.265 4.273 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.150 4.967 5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.143 4.530 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.810 4.544 3.025 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.167 7.154 2.927 1.00 0.00 H new ATOM 935 N GLU A 63 -1.229 2.393 4.591 1.00 0.00 N ATOM 936 CA GLU A 63 -1.154 0.941 4.703 1.00 0.00 C ATOM 937 C GLU A 63 -2.237 0.274 3.861 1.00 0.00 C ATOM 938 O GLU A 63 -3.426 0.554 4.021 1.00 0.00 O ATOM 939 CB GLU A 63 -1.294 0.513 6.166 1.00 0.00 C ATOM 940 CG GLU A 63 -0.168 1.011 7.056 1.00 0.00 C ATOM 941 CD GLU A 63 -0.318 0.557 8.495 1.00 0.00 C ATOM 942 OE1 GLU A 63 0.024 -0.607 8.790 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.778 1.367 9.327 1.00 0.00 O ATOM 0 H GLU A 63 -2.160 2.753 4.379 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.181 0.623 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.243 0.882 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.331 -0.575 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.785 0.655 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.139 2.100 7.024 1.00 0.00 H new ATOM 950 N LEU A 64 -1.818 -0.610 2.962 1.00 0.00 N ATOM 951 CA LEU A 64 -2.751 -1.318 2.092 1.00 0.00 C ATOM 952 C LEU A 64 -2.690 -2.822 2.339 1.00 0.00 C ATOM 953 O LEU A 64 -1.617 -3.423 2.303 1.00 0.00 O ATOM 954 CB LEU A 64 -2.440 -1.017 0.625 1.00 0.00 C ATOM 955 CG LEU A 64 -2.925 -2.053 -0.390 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.444 -2.050 -0.471 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.316 -1.784 -1.758 1.00 0.00 C ATOM 0 H LEU A 64 -0.838 -0.854 2.816 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.759 -0.971 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.882 -0.054 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.361 -0.910 0.518 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.601 -3.039 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.771 -2.793 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.861 -2.291 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.790 -1.064 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.672 -2.531 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.610 -0.791 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.229 -1.837 -1.689 1.00 0.00 H new ATOM 969 N GLN A 65 -3.850 -3.423 2.586 1.00 0.00 N ATOM 970 CA GLN A 65 -3.928 -4.858 2.837 1.00 0.00 C ATOM 971 C GLN A 65 -4.913 -5.524 1.883 1.00 0.00 C ATOM 972 O GLN A 65 -6.043 -5.062 1.720 1.00 0.00 O ATOM 973 CB GLN A 65 -4.343 -5.122 4.285 1.00 0.00 C ATOM 974 CG GLN A 65 -3.168 -5.301 5.232 1.00 0.00 C ATOM 975 CD GLN A 65 -3.603 -5.631 6.646 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.088 -6.730 6.918 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.432 -4.680 7.556 1.00 0.00 N ATOM 0 H GLN A 65 -4.748 -2.939 2.618 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.940 -5.286 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.958 -4.293 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.965 -6.016 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.524 -6.097 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.573 -4.388 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.026 -3.784 7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.706 -4.845 8.524 1.00 0.00 H new ATOM 986 N ILE A 66 -4.478 -6.610 1.254 1.00 0.00 N ATOM 987 CA ILE A 66 -5.323 -7.340 0.317 1.00 0.00 C ATOM 988 C ILE A 66 -5.706 -8.707 0.872 1.00 0.00 C ATOM 989 O ILE A 66 -5.013 -9.699 0.641 1.00 0.00 O ATOM 990 CB ILE A 66 -4.624 -7.528 -1.043 1.00 0.00 C ATOM 991 CG1 ILE A 66 -4.076 -6.192 -1.548 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.587 -8.129 -2.055 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.872 -6.335 -2.453 1.00 0.00 C ATOM 0 H ILE A 66 -3.545 -7.004 1.376 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.224 -6.743 0.174 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.789 -8.216 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.864 -5.666 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.806 -5.573 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.078 -8.256 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.933 -9.099 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.441 -7.464 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.538 -5.348 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.067 -6.833 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.142 -6.927 -3.327 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.815 -8.754 1.602 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.292 -10.000 2.190 1.00 0.00 C ATOM 1007 C CYS A 67 -7.569 -11.040 1.109 1.00 0.00 C ATOM 1008 O CYS A 67 -8.444 -10.855 0.264 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.559 -9.750 3.010 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.860 -10.983 4.297 1.00 0.00 S ATOM 0 H CYS A 67 -7.401 -7.943 1.801 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.512 -10.384 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.491 -8.766 3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.416 -9.726 2.337 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.952 -10.685 4.937 1.00 0.00 H new ATOM 1016 N GLY A 68 -6.814 -12.135 1.140 1.00 0.00 N ATOM 1017 CA GLY A 68 -6.992 -13.187 0.157 1.00 0.00 C ATOM 1018 C GLY A 68 -6.066 -13.031 -1.033 1.00 0.00 C ATOM 1019 O GLY A 68 -6.472 -12.534 -2.084 1.00 0.00 O ATOM 0 H GLY A 68 -6.083 -12.311 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.814 -14.154 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.026 -13.186 -0.188 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.818 -13.455 -0.869 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.830 -13.359 -1.938 1.00 0.00 C ATOM 1025 C LEU A 69 -3.948 -14.540 -2.896 1.00 0.00 C ATOM 1026 O LEU A 69 -4.530 -15.570 -2.558 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.418 -13.302 -1.351 1.00 0.00 C ATOM 1028 CG LEU A 69 -1.981 -11.950 -0.784 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.790 -12.122 0.146 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.646 -10.983 -1.910 1.00 0.00 C ATOM 0 H LEU A 69 -4.466 -13.869 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.022 -12.442 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.345 -14.047 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.711 -13.593 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.808 -11.534 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.493 -11.150 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.064 -12.779 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.042 -12.560 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.337 -10.026 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.835 -11.393 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.525 -10.836 -2.537 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.388 -14.384 -4.091 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.427 -15.438 -5.096 1.00 0.00 C ATOM 1044 C ALA A 70 -2.467 -15.139 -6.243 1.00 0.00 C ATOM 1045 O ALA A 70 -2.020 -14.005 -6.410 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.843 -15.614 -5.623 1.00 0.00 C ATOM 0 H ALA A 70 -2.902 -13.537 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.109 -16.367 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.856 -16.405 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.506 -15.882 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.182 -14.681 -6.073 1.00 0.00 H new ATOM 1052 N MET A 71 -2.155 -16.164 -7.030 1.00 0.00 N ATOM 1053 CA MET A 71 -1.248 -16.009 -8.161 1.00 0.00 C ATOM 1054 C MET A 71 -1.583 -14.753 -8.959 1.00 0.00 C ATOM 1055 O MET A 71 -0.693 -14.080 -9.477 1.00 0.00 O ATOM 1056 CB MET A 71 -1.319 -17.238 -9.070 1.00 0.00 C ATOM 1057 CG MET A 71 -0.931 -18.532 -8.374 1.00 0.00 C ATOM 1058 SD MET A 71 0.836 -18.875 -8.479 1.00 0.00 S ATOM 1059 CE MET A 71 1.403 -18.210 -6.916 1.00 0.00 C ATOM 0 H MET A 71 -2.517 -17.110 -6.905 1.00 0.00 H new ATOM 0 HA MET A 71 -0.235 -15.911 -7.771 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.333 -17.334 -9.459 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.662 -17.085 -9.926 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.225 -18.478 -7.326 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.485 -19.359 -8.818 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.989 -17.309 -7.095 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.544 -17.966 -6.291 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.021 -18.950 -6.409 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.872 -14.442 -9.052 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.323 -13.266 -9.784 1.00 0.00 C ATOM 1071 C ALA A 72 -2.852 -11.983 -9.107 1.00 0.00 C ATOM 1072 O ALA A 72 -2.420 -11.042 -9.772 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.840 -13.272 -9.911 1.00 0.00 C ATOM 0 H ALA A 72 -3.622 -14.989 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.886 -13.301 -10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.163 -12.387 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.157 -14.167 -10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.288 -13.266 -8.917 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.940 -11.953 -7.782 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.523 -10.786 -7.014 1.00 0.00 C ATOM 1081 C ASP A 73 -1.102 -10.371 -7.385 1.00 0.00 C ATOM 1082 O ASP A 73 -0.736 -9.202 -7.269 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.608 -11.078 -5.515 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.019 -10.946 -4.978 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.805 -11.904 -5.135 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.339 -9.885 -4.403 1.00 0.00 O ATOM 0 H ASP A 73 -3.297 -12.724 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.197 -9.964 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.242 -12.087 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.952 -10.394 -4.977 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.306 -11.338 -7.830 1.00 0.00 N ATOM 1092 CA ALA A 74 1.073 -11.074 -8.218 1.00 0.00 C ATOM 1093 C ALA A 74 1.134 -10.232 -9.488 1.00 0.00 C ATOM 1094 O ALA A 74 0.820 -10.710 -10.577 1.00 0.00 O ATOM 1095 CB ALA A 74 1.827 -12.381 -8.412 1.00 0.00 C ATOM 0 H ALA A 74 -0.593 -12.312 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 74 1.548 -10.510 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.856 -12.168 -8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.822 -12.946 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.344 -12.967 -9.194 1.00 0.00 H new ATOM 1101 N GLY A 75 1.541 -8.975 -9.341 1.00 0.00 N ATOM 1102 CA GLY A 75 1.635 -8.087 -10.485 1.00 0.00 C ATOM 1103 C GLY A 75 2.391 -6.812 -10.168 1.00 0.00 C ATOM 1104 O GLY A 75 3.533 -6.857 -9.713 1.00 0.00 O ATOM 0 H GLY A 75 1.807 -8.556 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.132 -8.606 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.632 -7.835 -10.829 1.00 0.00 H new ATOM 1108 N GLU A 76 1.753 -5.671 -10.412 1.00 0.00 N ATOM 1109 CA GLU A 76 2.375 -4.378 -10.151 1.00 0.00 C ATOM 1110 C GLU A 76 1.367 -3.398 -9.559 1.00 0.00 C ATOM 1111 O GLU A 76 0.445 -2.950 -10.241 1.00 0.00 O ATOM 1112 CB GLU A 76 2.965 -3.802 -11.441 1.00 0.00 C ATOM 1113 CG GLU A 76 3.250 -2.312 -11.367 1.00 0.00 C ATOM 1114 CD GLU A 76 4.057 -1.813 -12.550 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.974 -2.536 -12.991 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.770 -0.698 -13.035 1.00 0.00 O ATOM 0 H GLU A 76 0.807 -5.616 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 76 3.176 -4.529 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.890 -4.329 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.274 -3.991 -12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.307 -1.767 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.790 -2.095 -10.446 1.00 0.00 H new ATOM 1123 N TYR A 77 1.548 -3.071 -8.284 1.00 0.00 N ATOM 1124 CA TYR A 77 0.653 -2.147 -7.597 1.00 0.00 C ATOM 1125 C TYR A 77 1.182 -0.718 -7.673 1.00 0.00 C ATOM 1126 O TYR A 77 2.389 -0.485 -7.588 1.00 0.00 O ATOM 1127 CB TYR A 77 0.481 -2.563 -6.135 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.162 -3.920 -5.963 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.509 -5.080 -6.330 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.441 -4.043 -5.435 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.075 -6.323 -6.176 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.032 -5.282 -5.275 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.345 -6.418 -5.647 1.00 0.00 C ATOM 1134 OH TYR A 77 -1.931 -7.654 -5.491 1.00 0.00 O ATOM 0 H TYR A 77 2.306 -3.432 -7.705 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.316 -2.183 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.457 -2.569 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.125 -1.816 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.504 -5.009 -6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.983 -3.155 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.460 -7.215 -6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.026 -5.360 -4.861 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.407 -8.328 -5.972 1.00 0.00 H new ATOM 1144 N LEU A 78 0.271 0.235 -7.832 1.00 0.00 N ATOM 1145 CA LEU A 78 0.644 1.643 -7.918 1.00 0.00 C ATOM 1146 C LEU A 78 -0.130 2.474 -6.900 1.00 0.00 C ATOM 1147 O LEU A 78 -1.347 2.340 -6.771 1.00 0.00 O ATOM 1148 CB LEU A 78 0.385 2.174 -9.329 1.00 0.00 C ATOM 1149 CG LEU A 78 1.326 1.663 -10.421 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.790 0.376 -11.029 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.520 2.723 -11.496 1.00 0.00 C ATOM 0 H LEU A 78 -0.731 0.059 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 78 1.708 1.726 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.637 1.920 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.447 3.262 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 78 2.295 1.450 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.473 0.028 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.703 -0.385 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.191 0.561 -11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.192 2.343 -12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.557 2.967 -11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.950 3.620 -11.049 1.00 0.00 H new ATOM 1163 N CYS A 79 0.584 3.334 -6.181 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.035 4.189 -5.175 1.00 0.00 C ATOM 1165 C CYS A 79 -0.050 5.644 -5.632 1.00 0.00 C ATOM 1166 O CYS A 79 0.989 6.303 -5.673 1.00 0.00 O ATOM 1167 CB CYS A 79 0.708 4.067 -3.844 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.302 4.454 -2.396 1.00 0.00 S ATOM 0 H CYS A 79 1.592 3.457 -6.276 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.065 3.860 -5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.091 3.051 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.571 4.732 -3.860 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.920 3.382 -1.999 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.234 6.138 -5.978 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.384 7.515 -6.434 1.00 0.00 C ATOM 1176 C VAL A 80 -1.758 8.438 -5.279 1.00 0.00 C ATOM 1177 O VAL A 80 -2.817 8.288 -4.669 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.456 7.629 -7.535 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.308 8.940 -8.291 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.370 6.444 -8.484 1.00 0.00 C ATOM 0 H VAL A 80 -2.104 5.605 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.421 7.820 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.439 7.619 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.074 9.002 -9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.423 9.774 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.322 8.984 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.134 6.540 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.385 6.421 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.530 5.520 -7.928 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.882 9.393 -4.985 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.120 10.341 -3.903 1.00 0.00 C ATOM 1192 C CYS A 81 -1.503 11.711 -4.454 1.00 0.00 C ATOM 1193 O CYS A 81 -1.316 12.732 -3.793 1.00 0.00 O ATOM 1194 CB CYS A 81 0.124 10.462 -3.021 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.177 11.263 -1.427 1.00 0.00 S ATOM 0 H CYS A 81 -0.001 9.531 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.949 9.967 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.529 9.466 -2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.886 11.025 -3.561 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.939 12.302 -1.600 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.039 11.725 -5.671 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.437 12.974 -6.292 1.00 0.00 C ATOM 1203 C GLY A 82 -1.565 13.337 -7.477 1.00 0.00 C ATOM 1204 O GLY A 82 -1.804 12.881 -8.594 1.00 0.00 O ATOM 0 H GLY A 82 -2.204 10.893 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.474 12.900 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.392 13.774 -5.553 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.551 14.162 -7.233 1.00 0.00 N ATOM 1209 CA GLN A 83 0.358 14.588 -8.290 1.00 0.00 C ATOM 1210 C GLN A 83 1.508 13.599 -8.450 1.00 0.00 C ATOM 1211 O GLN A 83 2.085 13.472 -9.530 1.00 0.00 O ATOM 1212 CB GLN A 83 0.907 15.983 -7.989 1.00 0.00 C ATOM 1213 CG GLN A 83 1.247 16.786 -9.234 1.00 0.00 C ATOM 1214 CD GLN A 83 2.499 16.286 -9.927 1.00 0.00 C ATOM 1215 OE1 GLN A 83 3.405 15.752 -9.288 1.00 0.00 O ATOM 1216 NE2 GLN A 83 2.555 16.456 -11.243 1.00 0.00 N ATOM 0 H GLN A 83 -0.339 14.548 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.202 14.620 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.173 16.534 -7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.801 15.887 -7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.409 16.742 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.381 17.833 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.781 16.904 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.372 16.139 -11.764 1.00 0.00 H new ATOM 1225 N GLU A 84 1.837 12.901 -7.367 1.00 0.00 N ATOM 1226 CA GLU A 84 2.920 11.925 -7.388 1.00 0.00 C ATOM 1227 C GLU A 84 2.374 10.504 -7.271 1.00 0.00 C ATOM 1228 O GLU A 84 1.267 10.292 -6.775 1.00 0.00 O ATOM 1229 CB GLU A 84 3.906 12.199 -6.250 1.00 0.00 C ATOM 1230 CG GLU A 84 4.343 13.651 -6.161 1.00 0.00 C ATOM 1231 CD GLU A 84 5.538 13.956 -7.044 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.637 13.438 -6.753 1.00 0.00 O ATOM 1233 OE2 GLU A 84 5.375 14.712 -8.024 1.00 0.00 O ATOM 0 H GLU A 84 1.369 12.993 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 84 3.441 12.019 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.447 11.908 -5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.787 11.571 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.511 14.295 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.590 13.889 -5.126 1.00 0.00 H new ATOM 1240 N ARG A 85 3.158 9.536 -7.732 1.00 0.00 N ATOM 1241 CA ARG A 85 2.754 8.136 -7.681 1.00 0.00 C ATOM 1242 C ARG A 85 3.954 7.215 -7.881 1.00 0.00 C ATOM 1243 O ARG A 85 4.920 7.573 -8.556 1.00 0.00 O ATOM 1244 CB ARG A 85 1.695 7.850 -8.747 1.00 0.00 C ATOM 1245 CG ARG A 85 2.217 7.967 -10.170 1.00 0.00 C ATOM 1246 CD ARG A 85 1.253 7.347 -11.170 1.00 0.00 C ATOM 1247 NE ARG A 85 1.811 7.312 -12.519 1.00 0.00 N ATOM 1248 CZ ARG A 85 2.794 6.498 -12.886 1.00 0.00 C ATOM 1249 NH1 ARG A 85 3.325 5.656 -12.010 1.00 0.00 N ATOM 1250 NH2 ARG A 85 3.248 6.524 -14.133 1.00 0.00 N ATOM 0 H ARG A 85 4.077 9.695 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 85 2.330 7.942 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.301 6.845 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.863 8.542 -8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.373 9.017 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.187 7.475 -10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.005 6.334 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.323 7.915 -11.177 1.00 0.00 H new ATOM 0 HE ARG A 85 1.425 7.947 -13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.979 5.632 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.080 5.032 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.842 7.170 -14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.003 5.898 -14.414 1.00 0.00 H new ATOM 1264 N THR A 86 3.888 6.027 -7.288 1.00 0.00 N ATOM 1265 CA THR A 86 4.969 5.056 -7.399 1.00 0.00 C ATOM 1266 C THR A 86 4.429 3.665 -7.709 1.00 0.00 C ATOM 1267 O THR A 86 3.282 3.349 -7.392 1.00 0.00 O ATOM 1268 CB THR A 86 5.804 4.994 -6.106 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.721 3.897 -6.167 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.904 4.842 -4.888 1.00 0.00 C ATOM 0 H THR A 86 3.097 5.714 -6.726 1.00 0.00 H new ATOM 0 HA THR A 86 5.607 5.386 -8.219 1.00 0.00 H new ATOM 0 HB THR A 86 6.360 5.927 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.249 3.866 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.516 4.800 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.226 5.694 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.325 3.923 -4.976 1.00 0.00 H new ATOM 1278 N SER A 87 5.262 2.836 -8.330 1.00 0.00 N ATOM 1279 CA SER A 87 4.866 1.478 -8.685 1.00 0.00 C ATOM 1280 C SER A 87 5.810 0.456 -8.060 1.00 0.00 C ATOM 1281 O SER A 87 7.006 0.706 -7.914 1.00 0.00 O ATOM 1282 CB SER A 87 4.850 1.311 -10.206 1.00 0.00 C ATOM 1283 OG SER A 87 6.144 1.492 -10.753 1.00 0.00 O ATOM 0 H SER A 87 6.215 3.081 -8.598 1.00 0.00 H new ATOM 0 HA SER A 87 3.862 1.305 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.479 0.318 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.161 2.032 -10.647 1.00 0.00 H new ATOM 0 HG SER A 87 6.107 1.378 -11.726 1.00 0.00 H new ATOM 1289 N ALA A 88 5.263 -0.698 -7.691 1.00 0.00 N ATOM 1290 CA ALA A 88 6.055 -1.760 -7.083 1.00 0.00 C ATOM 1291 C ALA A 88 5.727 -3.113 -7.705 1.00 0.00 C ATOM 1292 O ALA A 88 4.939 -3.202 -8.646 1.00 0.00 O ATOM 1293 CB ALA A 88 5.823 -1.797 -5.580 1.00 0.00 C ATOM 0 H ALA A 88 4.274 -0.921 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 88 7.108 -1.548 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.421 -2.595 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.114 -0.842 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.768 -1.981 -5.379 1.00 0.00 H new ATOM 1299 N THR A 89 6.338 -4.167 -7.172 1.00 0.00 N ATOM 1300 CA THR A 89 6.113 -5.516 -7.675 1.00 0.00 C ATOM 1301 C THR A 89 5.911 -6.503 -6.531 1.00 0.00 C ATOM 1302 O THR A 89 6.789 -6.677 -5.685 1.00 0.00 O ATOM 1303 CB THR A 89 7.289 -5.994 -8.548 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.632 -4.984 -9.503 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.936 -7.284 -9.272 1.00 0.00 C ATOM 0 H THR A 89 6.993 -4.112 -6.392 1.00 0.00 H new ATOM 0 HA THR A 89 5.210 -5.479 -8.284 1.00 0.00 H new ATOM 0 HB THR A 89 8.143 -6.183 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.381 -5.295 -10.053 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.782 -7.602 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.704 -8.059 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.070 -7.117 -9.912 1.00 0.00 H new ATOM 1313 N LEU A 90 4.749 -7.148 -6.511 1.00 0.00 N ATOM 1314 CA LEU A 90 4.432 -8.120 -5.470 1.00 0.00 C ATOM 1315 C LEU A 90 4.653 -9.544 -5.969 1.00 0.00 C ATOM 1316 O LEU A 90 4.388 -9.856 -7.130 1.00 0.00 O ATOM 1317 CB LEU A 90 2.983 -7.948 -5.009 1.00 0.00 C ATOM 1318 CG LEU A 90 2.469 -8.986 -4.011 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.225 -8.883 -2.696 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.974 -8.812 -3.784 1.00 0.00 C ATOM 0 H LEU A 90 4.012 -7.015 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 90 5.099 -7.943 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.880 -6.960 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.338 -7.968 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 90 2.640 -9.979 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.845 -9.630 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.286 -9.058 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.086 -7.888 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.625 -9.559 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.780 -7.815 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.445 -8.938 -4.729 1.00 0.00 H new ATOM 1332 N THR A 91 5.140 -10.407 -5.082 1.00 0.00 N ATOM 1333 CA THR A 91 5.396 -11.799 -5.431 1.00 0.00 C ATOM 1334 C THR A 91 4.515 -12.741 -4.619 1.00 0.00 C ATOM 1335 O THR A 91 4.453 -12.643 -3.393 1.00 0.00 O ATOM 1336 CB THR A 91 6.874 -12.172 -5.204 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.707 -11.453 -6.121 1.00 0.00 O ATOM 1338 CG2 THR A 91 7.087 -13.667 -5.383 1.00 0.00 C ATOM 0 H THR A 91 5.365 -10.166 -4.117 1.00 0.00 H new ATOM 0 HA THR A 91 5.160 -11.908 -6.489 1.00 0.00 H new ATOM 0 HB THR A 91 7.142 -11.902 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.645 -11.694 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.137 -13.907 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.473 -14.211 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.803 -13.956 -6.395 1.00 0.00 H new ATOM 1346 N ILE A 92 3.838 -13.652 -5.308 1.00 0.00 N ATOM 1347 CA ILE A 92 2.962 -14.612 -4.649 1.00 0.00 C ATOM 1348 C ILE A 92 3.605 -15.994 -4.592 1.00 0.00 C ATOM 1349 O ILE A 92 4.254 -16.427 -5.544 1.00 0.00 O ATOM 1350 CB ILE A 92 1.603 -14.720 -5.367 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.987 -13.332 -5.551 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.662 -15.624 -4.585 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.467 -12.726 -4.266 1.00 0.00 C ATOM 0 H ILE A 92 3.879 -13.746 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 92 2.800 -14.247 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 92 1.763 -15.159 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.735 -12.666 -5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.169 -13.399 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.294 -15.691 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.099 -16.619 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.505 -15.211 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.045 -11.743 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.304 -13.371 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.286 -12.627 -3.553 1.00 0.00 H new ATOM 1365 N ARG A 93 3.419 -16.681 -3.470 1.00 0.00 N ATOM 1366 CA ARG A 93 3.981 -18.014 -3.288 1.00 0.00 C ATOM 1367 C ARG A 93 2.876 -19.046 -3.081 1.00 0.00 C ATOM 1368 O ARG A 93 2.182 -19.031 -2.065 1.00 0.00 O ATOM 1369 CB ARG A 93 4.937 -18.029 -2.095 1.00 0.00 C ATOM 1370 CG ARG A 93 6.344 -17.563 -2.436 1.00 0.00 C ATOM 1371 CD ARG A 93 7.233 -18.728 -2.843 1.00 0.00 C ATOM 1372 NE ARG A 93 7.172 -18.986 -4.279 1.00 0.00 N ATOM 1373 CZ ARG A 93 6.274 -19.786 -4.845 1.00 0.00 C ATOM 1374 NH1 ARG A 93 5.367 -20.401 -4.099 1.00 0.00 N ATOM 1375 NH2 ARG A 93 6.283 -19.971 -6.159 1.00 0.00 N ATOM 0 H ARG A 93 2.883 -16.337 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 93 4.534 -18.274 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.533 -17.392 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.986 -19.041 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.301 -16.836 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.779 -17.055 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.263 -18.516 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.929 -19.623 -2.300 1.00 0.00 H new ATOM 0 HE ARG A 93 7.856 -18.527 -4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.357 -20.261 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.679 -21.014 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.980 -19.499 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.593 -20.585 -6.592 1.00 0.00 H new ATOM 1389 N ALA A 94 2.719 -19.940 -4.052 1.00 0.00 N ATOM 1390 CA ALA A 94 1.700 -20.979 -3.976 1.00 0.00 C ATOM 1391 C ALA A 94 1.783 -21.733 -2.653 1.00 0.00 C ATOM 1392 O ALA A 94 2.820 -22.307 -2.318 1.00 0.00 O ATOM 1393 CB ALA A 94 1.841 -21.943 -5.145 1.00 0.00 C ATOM 0 H ALA A 94 3.285 -19.965 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 94 0.723 -20.500 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.074 -22.714 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.724 -21.398 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.826 -22.408 -5.116 1.00 0.00 H new ATOM 1399 N LEU A 95 0.685 -21.729 -1.905 1.00 0.00 N ATOM 1400 CA LEU A 95 0.634 -22.412 -0.617 1.00 0.00 C ATOM 1401 C LEU A 95 0.416 -23.910 -0.804 1.00 0.00 C ATOM 1402 O LEU A 95 -0.193 -24.357 -1.777 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.482 -21.827 0.249 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.906 -22.010 -0.277 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.427 -23.397 0.064 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -2.826 -20.938 0.291 1.00 0.00 C ATOM 0 H LEU A 95 -0.182 -21.260 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 95 1.590 -22.262 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.421 -22.279 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.296 -20.760 0.374 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.888 -21.908 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.442 -23.509 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.783 -24.150 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.430 -23.528 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.835 -21.084 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.839 -21.008 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.463 -19.953 -0.005 1.00 0.00 H new ATOM 1418 N PRO A 96 0.921 -24.706 0.150 1.00 0.00 N ATOM 1419 CA PRO A 96 0.792 -26.166 0.114 1.00 0.00 C ATOM 1420 C PRO A 96 -0.642 -26.626 0.353 1.00 0.00 C ATOM 1421 O PRO A 96 -1.090 -26.726 1.495 1.00 0.00 O ATOM 1422 CB PRO A 96 1.699 -26.631 1.255 1.00 0.00 C ATOM 1423 CG PRO A 96 1.751 -25.474 2.194 1.00 0.00 C ATOM 1424 CD PRO A 96 1.658 -24.242 1.337 1.00 0.00 C ATOM 0 HA PRO A 96 1.064 -26.575 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.297 -27.519 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.693 -26.890 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.930 -25.515 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.676 -25.480 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.131 -23.436 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.644 -23.861 1.074 1.00 0.00 H new ATOM 1432 N SER A 97 -1.358 -26.906 -0.732 1.00 0.00 N ATOM 1433 CA SER A 97 -2.742 -27.353 -0.640 1.00 0.00 C ATOM 1434 C SER A 97 -2.845 -28.641 0.171 1.00 0.00 C ATOM 1435 O SER A 97 -3.337 -28.639 1.299 1.00 0.00 O ATOM 1436 CB SER A 97 -3.324 -27.571 -2.039 1.00 0.00 C ATOM 1437 OG SER A 97 -3.064 -26.459 -2.878 1.00 0.00 O ATOM 0 H SER A 97 -1.002 -26.831 -1.685 1.00 0.00 H new ATOM 0 HA SER A 97 -3.315 -26.577 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.894 -28.471 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.399 -27.733 -1.968 1.00 0.00 H new ATOM 0 HG SER A 97 -3.444 -26.623 -3.766 1.00 0.00 H new ATOM 1443 N GLY A 98 -2.377 -29.740 -0.412 1.00 0.00 N ATOM 1444 CA GLY A 98 -2.425 -31.020 0.270 1.00 0.00 C ATOM 1445 C GLY A 98 -1.957 -30.928 1.709 1.00 0.00 C ATOM 1446 O GLY A 98 -1.054 -30.160 2.043 1.00 0.00 O ATOM 0 H GLY A 98 -1.965 -29.767 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.445 -31.403 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.803 -31.737 -0.266 1.00 0.00 H new ATOM 1450 N PRO A 99 -2.581 -31.723 2.590 1.00 0.00 N ATOM 1451 CA PRO A 99 -2.241 -31.745 4.016 1.00 0.00 C ATOM 1452 C PRO A 99 -0.873 -32.366 4.276 1.00 0.00 C ATOM 1453 O PRO A 99 -0.769 -33.549 4.601 1.00 0.00 O ATOM 1454 CB PRO A 99 -3.346 -32.609 4.631 1.00 0.00 C ATOM 1455 CG PRO A 99 -3.809 -33.481 3.516 1.00 0.00 C ATOM 1456 CD PRO A 99 -3.667 -32.663 2.263 1.00 0.00 C ATOM 0 HA PRO A 99 -2.182 -30.741 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.968 -33.200 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.160 -31.995 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.211 -34.390 3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.844 -33.789 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -3.415 -33.285 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.591 -32.140 2.018 1.00 0.00 H new ATOM 1464 N SER A 100 0.174 -31.561 4.131 1.00 0.00 N ATOM 1465 CA SER A 100 1.537 -32.033 4.347 1.00 0.00 C ATOM 1466 C SER A 100 1.657 -32.752 5.688 1.00 0.00 C ATOM 1467 O SER A 100 0.760 -32.676 6.528 1.00 0.00 O ATOM 1468 CB SER A 100 2.519 -30.862 4.295 1.00 0.00 C ATOM 1469 OG SER A 100 2.257 -29.929 5.329 1.00 0.00 O ATOM 0 H SER A 100 0.105 -30.579 3.865 1.00 0.00 H new ATOM 0 HA SER A 100 1.781 -32.738 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.539 -31.235 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.447 -30.366 3.327 1.00 0.00 H new ATOM 0 HG SER A 100 2.900 -29.191 5.274 1.00 0.00 H new ATOM 1475 N SER A 101 2.771 -33.451 5.880 1.00 0.00 N ATOM 1476 CA SER A 101 3.008 -34.188 7.116 1.00 0.00 C ATOM 1477 C SER A 101 3.318 -33.234 8.265 1.00 0.00 C ATOM 1478 O SER A 101 2.600 -33.193 9.264 1.00 0.00 O ATOM 1479 CB SER A 101 4.161 -35.176 6.932 1.00 0.00 C ATOM 1480 OG SER A 101 4.401 -35.907 8.123 1.00 0.00 O ATOM 0 H SER A 101 3.524 -33.523 5.195 1.00 0.00 H new ATOM 0 HA SER A 101 2.101 -34.741 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.928 -35.864 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.064 -34.637 6.644 1.00 0.00 H new ATOM 0 HG SER A 101 5.141 -36.533 7.979 1.00 0.00 H new ATOM 1486 N GLY A 102 4.394 -32.468 8.117 1.00 0.00 N ATOM 1487 CA GLY A 102 4.782 -31.525 9.149 1.00 0.00 C ATOM 1488 C GLY A 102 4.626 -32.096 10.544 1.00 0.00 C ATOM 1489 O GLY A 102 5.528 -31.979 11.374 1.00 0.00 O ATOM 0 H GLY A 102 5.004 -32.484 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.820 -31.229 8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.176 -30.623 9.059 1.00 0.00 H new TER 1493 GLY A 102