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 26:sc= 0.958 USER MOD Set 1.2: A 79 CYS SG : rot -165:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0335 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 USER MOD Single : A 17 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.63) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -121:sc= -3.08! (180deg=-5.69!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.646 F(o=-1.8,f=-0.65) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 1.17 K(o=1.2,f=-0.8) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00185 USER MOD Single : A 62 CYS SG : rot -110:sc= -0.113 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 153:sc= -0.811 (180deg=-1.21) USER MOD Single : A 77 TYR OH : rot -43:sc= 0.0813 USER MOD Single : A 81 CYS SG : rot -111:sc= -1.74 USER MOD Single : A 83 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.47) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0656 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 9.500 21.480 12.518 1.00 0.00 N ATOM 2 CA GLY A 1 9.984 21.899 11.215 1.00 0.00 C ATOM 3 C GLY A 1 10.134 23.404 11.109 1.00 0.00 C ATOM 4 O GLY A 1 9.429 24.154 11.784 1.00 0.00 O ATOM 0 H1 GLY A 1 10.263 20.994 13.032 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.194 22.314 13.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.696 20.831 12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.946 21.426 11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.295 21.550 10.446 1.00 0.00 H new ATOM 8 N SER A 2 11.057 23.847 10.261 1.00 0.00 N ATOM 9 CA SER A 2 11.301 25.272 10.072 1.00 0.00 C ATOM 10 C SER A 2 11.020 25.685 8.631 1.00 0.00 C ATOM 11 O SER A 2 10.266 26.625 8.379 1.00 0.00 O ATOM 12 CB SER A 2 12.745 25.616 10.441 1.00 0.00 C ATOM 13 OG SER A 2 12.947 25.539 11.842 1.00 0.00 O ATOM 0 H SER A 2 11.648 23.239 9.694 1.00 0.00 H new ATOM 0 HA SER A 2 10.625 25.822 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.426 24.932 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.983 26.620 10.091 1.00 0.00 H new ATOM 0 HG SER A 2 13.878 25.762 12.051 1.00 0.00 H new ATOM 19 N SER A 3 11.631 24.976 7.688 1.00 0.00 N ATOM 20 CA SER A 3 11.451 25.271 6.272 1.00 0.00 C ATOM 21 C SER A 3 10.642 24.173 5.587 1.00 0.00 C ATOM 22 O SER A 3 10.829 22.988 5.859 1.00 0.00 O ATOM 23 CB SER A 3 12.809 25.424 5.583 1.00 0.00 C ATOM 24 OG SER A 3 12.658 25.900 4.257 1.00 0.00 O ATOM 0 H SER A 3 12.256 24.193 7.879 1.00 0.00 H new ATOM 0 HA SER A 3 10.902 26.209 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.433 26.114 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.325 24.464 5.571 1.00 0.00 H new ATOM 0 HG SER A 3 13.540 25.991 3.840 1.00 0.00 H new ATOM 30 N GLY A 4 9.741 24.578 4.697 1.00 0.00 N ATOM 31 CA GLY A 4 8.916 23.618 3.987 1.00 0.00 C ATOM 32 C GLY A 4 8.300 24.200 2.730 1.00 0.00 C ATOM 33 O GLY A 4 7.687 25.267 2.768 1.00 0.00 O ATOM 0 H GLY A 4 9.568 25.554 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.520 22.750 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.123 23.267 4.647 1.00 0.00 H new ATOM 37 N SER A 5 8.464 23.499 1.613 1.00 0.00 N ATOM 38 CA SER A 5 7.924 23.956 0.338 1.00 0.00 C ATOM 39 C SER A 5 6.439 23.623 0.227 1.00 0.00 C ATOM 40 O SER A 5 6.067 22.498 -0.106 1.00 0.00 O ATOM 41 CB SER A 5 8.689 23.317 -0.823 1.00 0.00 C ATOM 42 OG SER A 5 10.038 23.751 -0.843 1.00 0.00 O ATOM 0 H SER A 5 8.966 22.613 1.565 1.00 0.00 H new ATOM 0 HA SER A 5 8.041 25.039 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.654 22.231 -0.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.207 23.574 -1.766 1.00 0.00 H new ATOM 0 HG SER A 5 10.507 23.328 -1.592 1.00 0.00 H new ATOM 48 N SER A 6 5.595 24.611 0.508 1.00 0.00 N ATOM 49 CA SER A 6 4.150 24.423 0.443 1.00 0.00 C ATOM 50 C SER A 6 3.728 23.926 -0.936 1.00 0.00 C ATOM 51 O SER A 6 3.772 24.668 -1.916 1.00 0.00 O ATOM 52 CB SER A 6 3.430 25.733 0.769 1.00 0.00 C ATOM 53 OG SER A 6 3.514 26.032 2.151 1.00 0.00 O ATOM 0 H SER A 6 5.887 25.549 0.783 1.00 0.00 H new ATOM 0 HA SER A 6 3.872 23.670 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.869 26.546 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.384 25.660 0.473 1.00 0.00 H new ATOM 0 HG SER A 6 3.048 26.875 2.332 1.00 0.00 H new ATOM 59 N GLY A 7 3.318 22.663 -1.003 1.00 0.00 N ATOM 60 CA GLY A 7 2.893 22.087 -2.265 1.00 0.00 C ATOM 61 C GLY A 7 2.228 20.736 -2.092 1.00 0.00 C ATOM 62 O GLY A 7 1.711 20.407 -1.024 1.00 0.00 O ATOM 0 H GLY A 7 3.273 22.029 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.200 22.769 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.757 21.982 -2.922 1.00 0.00 H new ATOM 66 N PRO A 8 2.235 19.927 -3.162 1.00 0.00 N ATOM 67 CA PRO A 8 1.631 18.591 -3.148 1.00 0.00 C ATOM 68 C PRO A 8 2.412 17.611 -2.279 1.00 0.00 C ATOM 69 O PRO A 8 3.479 17.939 -1.761 1.00 0.00 O ATOM 70 CB PRO A 8 1.684 18.163 -4.616 1.00 0.00 C ATOM 71 CG PRO A 8 2.815 18.939 -5.197 1.00 0.00 C ATOM 72 CD PRO A 8 2.834 20.253 -4.467 1.00 0.00 C ATOM 0 HA PRO A 8 0.625 18.603 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.851 17.090 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.747 18.386 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.758 18.408 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.676 19.089 -6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.848 20.638 -4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.259 21.014 -4.994 1.00 0.00 H new ATOM 80 N ALA A 9 1.873 16.406 -2.124 1.00 0.00 N ATOM 81 CA ALA A 9 2.520 15.377 -1.320 1.00 0.00 C ATOM 82 C ALA A 9 3.485 14.549 -2.161 1.00 0.00 C ATOM 83 O ALA A 9 3.116 14.022 -3.211 1.00 0.00 O ATOM 84 CB ALA A 9 1.477 14.479 -0.672 1.00 0.00 C ATOM 0 H ALA A 9 0.989 16.119 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 9 3.094 15.871 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.975 13.715 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.830 15.077 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.877 14.000 -1.446 1.00 0.00 H new ATOM 90 N LYS A 10 4.725 14.439 -1.695 1.00 0.00 N ATOM 91 CA LYS A 10 5.744 13.675 -2.404 1.00 0.00 C ATOM 92 C LYS A 10 6.085 12.393 -1.650 1.00 0.00 C ATOM 93 O LYS A 10 5.931 12.318 -0.431 1.00 0.00 O ATOM 94 CB LYS A 10 7.006 14.520 -2.592 1.00 0.00 C ATOM 95 CG LYS A 10 6.815 15.697 -3.532 1.00 0.00 C ATOM 96 CD LYS A 10 8.147 16.259 -3.999 1.00 0.00 C ATOM 97 CE LYS A 10 7.957 17.484 -4.882 1.00 0.00 C ATOM 98 NZ LYS A 10 9.257 18.041 -5.346 1.00 0.00 N ATOM 0 H LYS A 10 5.048 14.870 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 10 5.346 13.406 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.333 14.891 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.804 13.885 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.229 15.383 -4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.246 16.478 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.755 16.524 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.693 15.493 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.347 17.218 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.411 18.249 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.084 18.874 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.829 18.319 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.767 17.320 -5.895 1.00 0.00 H new ATOM 112 N PHE A 11 6.551 11.387 -2.383 1.00 0.00 N ATOM 113 CA PHE A 11 6.915 10.108 -1.784 1.00 0.00 C ATOM 114 C PHE A 11 8.357 10.132 -1.286 1.00 0.00 C ATOM 115 O PHE A 11 9.297 10.230 -2.075 1.00 0.00 O ATOM 116 CB PHE A 11 6.731 8.976 -2.796 1.00 0.00 C ATOM 117 CG PHE A 11 5.294 8.604 -3.026 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.676 7.649 -2.235 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.561 9.210 -4.034 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.354 7.305 -2.443 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.238 8.871 -4.246 1.00 0.00 C ATOM 122 CZ PHE A 11 2.634 7.916 -3.451 1.00 0.00 C ATOM 0 H PHE A 11 6.685 11.433 -3.393 1.00 0.00 H new ATOM 0 HA PHE A 11 6.258 9.934 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.178 9.272 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.274 8.097 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.235 7.167 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.029 9.955 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.884 6.560 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.676 9.352 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.601 7.648 -3.617 1.00 0.00 H new ATOM 132 N THR A 12 8.524 10.041 0.030 1.00 0.00 N ATOM 133 CA THR A 12 9.850 10.054 0.635 1.00 0.00 C ATOM 134 C THR A 12 10.443 8.651 0.689 1.00 0.00 C ATOM 135 O THR A 12 11.641 8.465 0.480 1.00 0.00 O ATOM 136 CB THR A 12 9.812 10.638 2.059 1.00 0.00 C ATOM 137 OG1 THR A 12 8.991 9.822 2.902 1.00 0.00 O ATOM 138 CG2 THR A 12 9.277 12.062 2.046 1.00 0.00 C ATOM 0 H THR A 12 7.757 9.957 0.697 1.00 0.00 H new ATOM 0 HA THR A 12 10.478 10.687 0.008 1.00 0.00 H new ATOM 0 HB THR A 12 10.830 10.653 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.974 10.200 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.259 12.453 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.921 12.687 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.266 12.067 1.638 1.00 0.00 H new ATOM 146 N GLU A 13 9.595 7.665 0.969 1.00 0.00 N ATOM 147 CA GLU A 13 10.038 6.278 1.051 1.00 0.00 C ATOM 148 C GLU A 13 9.604 5.496 -0.185 1.00 0.00 C ATOM 149 O GLU A 13 10.356 4.675 -0.710 1.00 0.00 O ATOM 150 CB GLU A 13 9.478 5.614 2.311 1.00 0.00 C ATOM 151 CG GLU A 13 9.785 6.378 3.588 1.00 0.00 C ATOM 152 CD GLU A 13 11.268 6.631 3.775 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.064 5.698 3.541 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.633 7.764 4.154 1.00 0.00 O ATOM 0 H GLU A 13 8.599 7.801 1.143 1.00 0.00 H new ATOM 0 HA GLU A 13 11.127 6.273 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.398 5.513 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.886 4.607 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.257 7.331 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.405 5.817 4.442 1.00 0.00 H new ATOM 161 N GLY A 14 8.384 5.756 -0.645 1.00 0.00 N ATOM 162 CA GLY A 14 7.869 5.068 -1.815 1.00 0.00 C ATOM 163 C GLY A 14 7.612 3.597 -1.556 1.00 0.00 C ATOM 164 O GLY A 14 8.110 3.034 -0.580 1.00 0.00 O ATOM 0 H GLY A 14 7.743 6.431 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.942 5.545 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.580 5.171 -2.635 1.00 0.00 H new ATOM 168 N LEU A 15 6.832 2.972 -2.431 1.00 0.00 N ATOM 169 CA LEU A 15 6.508 1.556 -2.291 1.00 0.00 C ATOM 170 C LEU A 15 7.763 0.696 -2.403 1.00 0.00 C ATOM 171 O LEU A 15 8.837 1.190 -2.747 1.00 0.00 O ATOM 172 CB LEU A 15 5.493 1.138 -3.357 1.00 0.00 C ATOM 173 CG LEU A 15 4.051 1.592 -3.125 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.235 1.447 -4.400 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.418 0.798 -1.991 1.00 0.00 C ATOM 0 H LEU A 15 6.412 3.423 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 15 6.073 1.404 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.825 1.528 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.503 0.051 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 15 4.062 2.645 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.212 1.775 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.677 2.059 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.231 0.403 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.392 1.134 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.419 -0.262 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.989 0.953 -1.076 1.00 0.00 H new ATOM 187 N ARG A 16 7.619 -0.592 -2.113 1.00 0.00 N ATOM 188 CA ARG A 16 8.740 -1.521 -2.181 1.00 0.00 C ATOM 189 C ARG A 16 8.269 -2.914 -2.589 1.00 0.00 C ATOM 190 O ARG A 16 7.337 -3.462 -2.001 1.00 0.00 O ATOM 191 CB ARG A 16 9.457 -1.589 -0.832 1.00 0.00 C ATOM 192 CG ARG A 16 8.637 -2.256 0.261 1.00 0.00 C ATOM 193 CD ARG A 16 9.291 -2.096 1.624 1.00 0.00 C ATOM 194 NE ARG A 16 8.460 -2.637 2.697 1.00 0.00 N ATOM 195 CZ ARG A 16 8.915 -2.903 3.916 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.187 -2.680 4.216 1.00 0.00 N ATOM 197 NH2 ARG A 16 8.097 -3.394 4.838 1.00 0.00 N ATOM 0 H ARG A 16 6.736 -1.017 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 16 9.436 -1.156 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.394 -2.133 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.715 -0.578 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.637 -1.823 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.520 -3.316 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.257 -2.601 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.483 -1.040 1.812 1.00 0.00 H new ATOM 0 HE ARG A 16 7.476 -2.820 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.819 -2.303 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.534 -2.885 5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.118 -3.567 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.447 -3.598 5.774 1.00 0.00 H new ATOM 211 N ASN A 17 8.918 -3.480 -3.601 1.00 0.00 N ATOM 212 CA ASN A 17 8.565 -4.808 -4.089 1.00 0.00 C ATOM 213 C ASN A 17 8.679 -5.845 -2.975 1.00 0.00 C ATOM 214 O ASN A 17 9.733 -5.990 -2.356 1.00 0.00 O ATOM 215 CB ASN A 17 9.467 -5.201 -5.261 1.00 0.00 C ATOM 216 CG ASN A 17 10.729 -5.909 -4.808 1.00 0.00 C ATOM 217 OD1 ASN A 17 10.775 -7.138 -4.743 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.760 -5.136 -4.491 1.00 0.00 N ATOM 0 H ASN A 17 9.691 -3.040 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 17 7.530 -4.779 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.914 -5.850 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.737 -4.307 -5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.635 -5.556 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.677 -4.122 -4.560 1.00 0.00 H new ATOM 225 N GLU A 18 7.588 -6.563 -2.728 1.00 0.00 N ATOM 226 CA GLU A 18 7.567 -7.586 -1.689 1.00 0.00 C ATOM 227 C GLU A 18 6.897 -8.861 -2.194 1.00 0.00 C ATOM 228 O GLU A 18 6.383 -8.902 -3.312 1.00 0.00 O ATOM 229 CB GLU A 18 6.836 -7.069 -0.449 1.00 0.00 C ATOM 230 CG GLU A 18 5.337 -6.911 -0.647 1.00 0.00 C ATOM 231 CD GLU A 18 4.657 -6.260 0.541 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.289 -5.397 1.186 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.494 -6.612 0.826 1.00 0.00 O ATOM 0 H GLU A 18 6.708 -6.455 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 18 8.598 -7.819 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.014 -7.754 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.260 -6.106 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.153 -6.312 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.892 -7.890 -0.824 1.00 0.00 H new ATOM 240 N GLU A 19 6.907 -9.897 -1.362 1.00 0.00 N ATOM 241 CA GLU A 19 6.302 -11.173 -1.725 1.00 0.00 C ATOM 242 C GLU A 19 5.364 -11.663 -0.625 1.00 0.00 C ATOM 243 O GLU A 19 5.346 -11.118 0.477 1.00 0.00 O ATOM 244 CB GLU A 19 7.386 -12.220 -1.991 1.00 0.00 C ATOM 245 CG GLU A 19 8.095 -12.694 -0.733 1.00 0.00 C ATOM 246 CD GLU A 19 8.955 -13.919 -0.975 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.007 -13.784 -1.634 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.576 -15.012 -0.505 1.00 0.00 O ATOM 0 H GLU A 19 7.327 -9.878 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 19 5.720 -11.024 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.936 -13.078 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.122 -11.802 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.718 -11.888 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.354 -12.920 0.034 1.00 0.00 H new ATOM 255 N ALA A 20 4.587 -12.696 -0.935 1.00 0.00 N ATOM 256 CA ALA A 20 3.648 -13.260 0.026 1.00 0.00 C ATOM 257 C ALA A 20 3.180 -14.644 -0.411 1.00 0.00 C ATOM 258 O ALA A 20 3.514 -15.107 -1.502 1.00 0.00 O ATOM 259 CB ALA A 20 2.457 -12.331 0.209 1.00 0.00 C ATOM 0 H ALA A 20 4.590 -13.159 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 20 4.163 -13.364 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.764 -12.765 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.803 -11.364 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.950 -12.197 -0.747 1.00 0.00 H new ATOM 265 N VAL A 21 2.406 -15.301 0.447 1.00 0.00 N ATOM 266 CA VAL A 21 1.891 -16.632 0.148 1.00 0.00 C ATOM 267 C VAL A 21 0.404 -16.585 -0.185 1.00 0.00 C ATOM 268 O VAL A 21 -0.368 -15.893 0.478 1.00 0.00 O ATOM 269 CB VAL A 21 2.111 -17.596 1.329 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.551 -18.973 1.006 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.589 -17.682 1.678 1.00 0.00 C ATOM 0 H VAL A 21 2.122 -14.933 1.355 1.00 0.00 H new ATOM 0 HA VAL A 21 2.442 -16.997 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 21 1.578 -17.207 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.716 -19.640 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.482 -18.894 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.054 -19.373 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.726 -18.367 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.146 -18.047 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.956 -16.694 1.955 1.00 0.00 H new ATOM 281 N GLU A 22 0.011 -17.325 -1.216 1.00 0.00 N ATOM 282 CA GLU A 22 -1.385 -17.367 -1.637 1.00 0.00 C ATOM 283 C GLU A 22 -2.316 -17.410 -0.430 1.00 0.00 C ATOM 284 O GLU A 22 -2.030 -18.075 0.566 1.00 0.00 O ATOM 285 CB GLU A 22 -1.634 -18.583 -2.532 1.00 0.00 C ATOM 286 CG GLU A 22 -1.195 -18.380 -3.972 1.00 0.00 C ATOM 287 CD GLU A 22 -1.876 -19.338 -4.930 1.00 0.00 C ATOM 288 OE1 GLU A 22 -3.123 -19.395 -4.926 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.161 -20.029 -5.685 1.00 0.00 O ATOM 0 H GLU A 22 0.638 -17.903 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.595 -16.459 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.106 -19.442 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.697 -18.824 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.412 -17.355 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.115 -18.510 -4.040 1.00 0.00 H new ATOM 296 N GLY A 23 -3.434 -16.695 -0.525 1.00 0.00 N ATOM 297 CA GLY A 23 -4.390 -16.664 0.566 1.00 0.00 C ATOM 298 C GLY A 23 -4.038 -15.631 1.617 1.00 0.00 C ATOM 299 O GLY A 23 -4.901 -14.883 2.075 1.00 0.00 O ATOM 0 H GLY A 23 -3.694 -16.137 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.382 -16.450 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.438 -17.649 1.031 1.00 0.00 H new ATOM 303 N ALA A 24 -2.766 -15.589 2.001 1.00 0.00 N ATOM 304 CA ALA A 24 -2.302 -14.639 3.004 1.00 0.00 C ATOM 305 C ALA A 24 -2.747 -13.221 2.665 1.00 0.00 C ATOM 306 O ALA A 24 -3.440 -12.997 1.672 1.00 0.00 O ATOM 307 CB ALA A 24 -0.787 -14.703 3.130 1.00 0.00 C ATOM 0 H ALA A 24 -2.039 -16.202 1.632 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.747 -14.912 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.454 -13.988 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.489 -15.708 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.331 -14.458 2.170 1.00 0.00 H new ATOM 313 N THR A 25 -2.346 -12.265 3.497 1.00 0.00 N ATOM 314 CA THR A 25 -2.705 -10.868 3.287 1.00 0.00 C ATOM 315 C THR A 25 -1.463 -9.993 3.167 1.00 0.00 C ATOM 316 O THR A 25 -0.827 -9.660 4.167 1.00 0.00 O ATOM 317 CB THR A 25 -3.586 -10.336 4.433 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.797 -11.095 4.514 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.916 -8.866 4.223 1.00 0.00 C ATOM 0 H THR A 25 -1.772 -12.433 4.323 1.00 0.00 H new ATOM 0 HA THR A 25 -3.268 -10.823 2.355 1.00 0.00 H new ATOM 0 HB THR A 25 -3.031 -10.439 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.350 -10.751 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.539 -8.512 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.993 -8.287 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.453 -8.744 3.282 1.00 0.00 H new ATOM 327 N ALA A 26 -1.122 -9.622 1.937 1.00 0.00 N ATOM 328 CA ALA A 26 0.043 -8.783 1.687 1.00 0.00 C ATOM 329 C ALA A 26 0.027 -7.544 2.575 1.00 0.00 C ATOM 330 O ALA A 26 -0.945 -7.289 3.284 1.00 0.00 O ATOM 331 CB ALA A 26 0.100 -8.383 0.220 1.00 0.00 C ATOM 0 H ALA A 26 -1.637 -9.890 1.098 1.00 0.00 H new ATOM 0 HA ALA A 26 0.935 -9.360 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.975 -7.756 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.167 -9.278 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.801 -7.828 -0.041 1.00 0.00 H new ATOM 337 N MET A 27 1.112 -6.776 2.531 1.00 0.00 N ATOM 338 CA MET A 27 1.221 -5.563 3.332 1.00 0.00 C ATOM 339 C MET A 27 2.070 -4.515 2.619 1.00 0.00 C ATOM 340 O MET A 27 3.292 -4.643 2.535 1.00 0.00 O ATOM 341 CB MET A 27 1.828 -5.882 4.700 1.00 0.00 C ATOM 342 CG MET A 27 2.052 -4.654 5.567 1.00 0.00 C ATOM 343 SD MET A 27 0.508 -3.900 6.114 1.00 0.00 S ATOM 344 CE MET A 27 0.372 -2.535 4.963 1.00 0.00 C ATOM 0 H MET A 27 1.927 -6.973 1.950 1.00 0.00 H new ATOM 0 HA MET A 27 0.218 -5.159 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.171 -6.574 5.227 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.780 -6.393 4.556 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.645 -4.932 6.438 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.632 -3.920 5.008 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.339 -1.596 5.515 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.234 -2.534 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.540 -2.643 4.376 1.00 0.00 H new ATOM 354 N LEU A 28 1.415 -3.480 2.105 1.00 0.00 N ATOM 355 CA LEU A 28 2.109 -2.409 1.398 1.00 0.00 C ATOM 356 C LEU A 28 1.887 -1.067 2.088 1.00 0.00 C ATOM 357 O LEU A 28 0.755 -0.700 2.402 1.00 0.00 O ATOM 358 CB LEU A 28 1.631 -2.336 -0.053 1.00 0.00 C ATOM 359 CG LEU A 28 1.947 -3.550 -0.927 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.992 -3.620 -2.109 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.390 -3.501 -1.406 1.00 0.00 C ATOM 0 H LEU A 28 0.404 -3.360 2.165 1.00 0.00 H new ATOM 0 HA LEU A 28 3.176 -2.630 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.551 -2.186 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.075 -1.455 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 28 1.815 -4.450 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.232 -4.490 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.032 -3.704 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.091 -2.716 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.597 -4.373 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.549 -2.594 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.059 -3.501 -0.546 1.00 0.00 H new ATOM 373 N TRP A 29 2.973 -0.339 2.318 1.00 0.00 N ATOM 374 CA TRP A 29 2.897 0.964 2.969 1.00 0.00 C ATOM 375 C TRP A 29 3.804 1.973 2.274 1.00 0.00 C ATOM 376 O TRP A 29 4.729 1.597 1.553 1.00 0.00 O ATOM 377 CB TRP A 29 3.282 0.844 4.444 1.00 0.00 C ATOM 378 CG TRP A 29 4.751 0.639 4.659 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.397 -0.553 4.822 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.755 1.657 4.737 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.743 -0.337 4.997 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.989 1.009 4.948 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.733 3.051 4.647 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.185 1.710 5.071 1.00 0.00 C ATOM 385 CZ3 TRP A 29 6.922 3.745 4.770 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.134 3.074 4.979 1.00 0.00 C ATOM 0 H TRP A 29 3.917 -0.629 2.063 1.00 0.00 H new ATOM 0 HA TRP A 29 1.869 1.319 2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.968 1.746 4.969 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.737 0.011 4.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.921 -1.522 4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.445 -1.063 5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.804 3.577 4.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.120 1.195 5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.917 4.823 4.704 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.046 3.645 5.069 1.00 0.00 H new ATOM 397 N CYS A 30 3.533 3.255 2.495 1.00 0.00 N ATOM 398 CA CYS A 30 4.326 4.319 1.889 1.00 0.00 C ATOM 399 C CYS A 30 4.150 5.629 2.650 1.00 0.00 C ATOM 400 O CYS A 30 3.075 5.910 3.180 1.00 0.00 O ATOM 401 CB CYS A 30 3.929 4.508 0.424 1.00 0.00 C ATOM 402 SG CYS A 30 2.180 4.896 0.178 1.00 0.00 S ATOM 0 H CYS A 30 2.771 3.582 3.089 1.00 0.00 H new ATOM 0 HA CYS A 30 5.376 4.030 1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.532 5.309 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.170 3.599 -0.127 1.00 0.00 H new ATOM 0 HG CYS A 30 1.710 5.475 1.243 1.00 0.00 H new ATOM 408 N GLU A 31 5.213 6.426 2.700 1.00 0.00 N ATOM 409 CA GLU A 31 5.175 7.705 3.399 1.00 0.00 C ATOM 410 C GLU A 31 5.028 8.860 2.412 1.00 0.00 C ATOM 411 O GLU A 31 5.399 8.744 1.243 1.00 0.00 O ATOM 412 CB GLU A 31 6.443 7.893 4.235 1.00 0.00 C ATOM 413 CG GLU A 31 6.325 7.351 5.649 1.00 0.00 C ATOM 414 CD GLU A 31 7.668 7.237 6.344 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.471 8.188 6.240 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.916 6.198 6.991 1.00 0.00 O ATOM 0 H GLU A 31 6.110 6.209 2.265 1.00 0.00 H new ATOM 0 HA GLU A 31 4.309 7.702 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.275 7.399 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.684 8.955 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.673 8.003 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.851 6.370 5.620 1.00 0.00 H new ATOM 423 N LEU A 32 4.483 9.973 2.891 1.00 0.00 N ATOM 424 CA LEU A 32 4.286 11.150 2.052 1.00 0.00 C ATOM 425 C LEU A 32 4.686 12.421 2.793 1.00 0.00 C ATOM 426 O LEU A 32 4.444 12.554 3.993 1.00 0.00 O ATOM 427 CB LEU A 32 2.825 11.244 1.607 1.00 0.00 C ATOM 428 CG LEU A 32 2.215 9.966 1.030 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.719 9.921 1.297 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.496 9.867 -0.462 1.00 0.00 C ATOM 0 H LEU A 32 4.170 10.085 3.855 1.00 0.00 H new ATOM 0 HA LEU A 32 4.922 11.049 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.225 11.555 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.744 12.032 0.858 1.00 0.00 H new ATOM 0 HG LEU A 32 2.677 9.111 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.302 9.005 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.540 9.944 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.240 10.782 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.054 8.951 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.062 10.727 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.573 9.851 -0.629 1.00 0.00 H new ATOM 442 N SER A 33 5.298 13.354 2.071 1.00 0.00 N ATOM 443 CA SER A 33 5.733 14.615 2.661 1.00 0.00 C ATOM 444 C SER A 33 4.676 15.161 3.616 1.00 0.00 C ATOM 445 O SER A 33 4.987 15.913 4.540 1.00 0.00 O ATOM 446 CB SER A 33 6.026 15.641 1.565 1.00 0.00 C ATOM 447 OG SER A 33 6.372 16.897 2.122 1.00 0.00 O ATOM 0 H SER A 33 5.504 13.261 1.076 1.00 0.00 H new ATOM 0 HA SER A 33 6.646 14.428 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.840 15.282 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.152 15.752 0.924 1.00 0.00 H new ATOM 0 HG SER A 33 6.556 17.535 1.401 1.00 0.00 H new ATOM 453 N LYS A 34 3.425 14.778 3.386 1.00 0.00 N ATOM 454 CA LYS A 34 2.320 15.227 4.225 1.00 0.00 C ATOM 455 C LYS A 34 1.148 14.254 4.147 1.00 0.00 C ATOM 456 O LYS A 34 1.111 13.379 3.282 1.00 0.00 O ATOM 457 CB LYS A 34 1.866 16.625 3.800 1.00 0.00 C ATOM 458 CG LYS A 34 1.354 16.691 2.372 1.00 0.00 C ATOM 459 CD LYS A 34 1.023 18.116 1.963 1.00 0.00 C ATOM 460 CE LYS A 34 -0.100 18.155 0.938 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.442 18.111 1.583 1.00 0.00 N ATOM 0 H LYS A 34 3.151 14.157 2.625 1.00 0.00 H new ATOM 0 HA LYS A 34 2.671 15.264 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.080 16.963 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.700 17.318 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.105 16.283 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.465 16.068 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.734 18.690 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.912 18.593 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.014 19.062 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.002 17.312 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.180 18.139 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.534 17.233 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.550 18.929 2.216 1.00 0.00 H new ATOM 475 N VAL A 35 0.190 14.414 5.055 1.00 0.00 N ATOM 476 CA VAL A 35 -0.985 13.552 5.087 1.00 0.00 C ATOM 477 C VAL A 35 -1.954 13.901 3.963 1.00 0.00 C ATOM 478 O VAL A 35 -2.594 14.952 3.986 1.00 0.00 O ATOM 479 CB VAL A 35 -1.721 13.656 6.436 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.834 12.623 6.518 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.744 13.492 7.590 1.00 0.00 C ATOM 0 H VAL A 35 0.205 15.133 5.778 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.631 12.530 4.953 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.171 14.646 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.343 12.712 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.548 12.793 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.410 11.623 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.281 13.568 8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.263 12.516 7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.014 14.274 7.539 1.00 0.00 H new ATOM 491 N ALA A 36 -2.057 13.013 2.980 1.00 0.00 N ATOM 492 CA ALA A 36 -2.950 13.226 1.848 1.00 0.00 C ATOM 493 C ALA A 36 -3.658 11.934 1.457 1.00 0.00 C ATOM 494 O ALA A 36 -3.158 10.831 1.680 1.00 0.00 O ATOM 495 CB ALA A 36 -2.176 13.785 0.663 1.00 0.00 C ATOM 0 H ALA A 36 -1.533 12.139 2.945 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.709 13.949 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.855 13.939 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.721 14.736 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.396 13.081 0.373 1.00 0.00 H new ATOM 501 N PRO A 37 -4.852 12.070 0.860 1.00 0.00 N ATOM 502 CA PRO A 37 -5.655 10.923 0.426 1.00 0.00 C ATOM 503 C PRO A 37 -5.034 10.197 -0.763 1.00 0.00 C ATOM 504 O PRO A 37 -4.986 10.729 -1.872 1.00 0.00 O ATOM 505 CB PRO A 37 -6.990 11.556 0.027 1.00 0.00 C ATOM 506 CG PRO A 37 -6.651 12.961 -0.333 1.00 0.00 C ATOM 507 CD PRO A 37 -5.509 13.354 0.563 1.00 0.00 C ATOM 0 HA PRO A 37 -5.742 10.167 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.442 11.030 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.706 11.520 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.368 13.037 -1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.507 13.619 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.830 14.048 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.861 13.845 1.470 1.00 0.00 H new ATOM 515 N VAL A 38 -4.558 8.979 -0.524 1.00 0.00 N ATOM 516 CA VAL A 38 -3.941 8.179 -1.575 1.00 0.00 C ATOM 517 C VAL A 38 -4.960 7.254 -2.231 1.00 0.00 C ATOM 518 O VAL A 38 -5.996 6.942 -1.646 1.00 0.00 O ATOM 519 CB VAL A 38 -2.776 7.335 -1.027 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.646 8.232 -0.545 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.259 6.424 0.092 1.00 0.00 C ATOM 0 H VAL A 38 -4.588 8.525 0.389 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.556 8.876 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.392 6.710 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.832 7.617 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.283 8.838 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.012 8.885 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.423 5.835 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.670 7.028 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.031 5.756 -0.290 1.00 0.00 H new ATOM 531 N GLU A 39 -4.657 6.820 -3.451 1.00 0.00 N ATOM 532 CA GLU A 39 -5.548 5.930 -4.187 1.00 0.00 C ATOM 533 C GLU A 39 -4.788 4.718 -4.718 1.00 0.00 C ATOM 534 O GLU A 39 -4.132 4.789 -5.757 1.00 0.00 O ATOM 535 CB GLU A 39 -6.209 6.679 -5.346 1.00 0.00 C ATOM 536 CG GLU A 39 -7.001 7.899 -4.909 1.00 0.00 C ATOM 537 CD GLU A 39 -8.447 7.573 -4.589 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.721 6.423 -4.187 1.00 0.00 O ATOM 539 OE2 GLU A 39 -9.305 8.468 -4.741 1.00 0.00 O ATOM 0 H GLU A 39 -3.803 7.070 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.320 5.582 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.439 6.990 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.873 5.997 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.529 8.338 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.968 8.650 -5.698 1.00 0.00 H new ATOM 546 N TRP A 40 -4.883 3.606 -3.997 1.00 0.00 N ATOM 547 CA TRP A 40 -4.204 2.378 -4.395 1.00 0.00 C ATOM 548 C TRP A 40 -4.820 1.802 -5.665 1.00 0.00 C ATOM 549 O TRP A 40 -6.041 1.800 -5.828 1.00 0.00 O ATOM 550 CB TRP A 40 -4.272 1.346 -3.268 1.00 0.00 C ATOM 551 CG TRP A 40 -3.698 1.840 -1.975 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.291 2.691 -1.087 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.417 1.513 -1.426 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.456 2.914 -0.019 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.300 2.202 -0.202 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.358 0.705 -1.847 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.166 2.107 0.600 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.233 0.611 -1.050 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.144 1.308 0.163 1.00 0.00 C ATOM 0 H TRP A 40 -5.423 3.530 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.160 2.618 -4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.312 1.059 -3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.737 0.447 -3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.273 3.125 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.663 3.513 0.780 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.417 0.163 -2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.095 2.645 1.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.592 -0.010 -1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.748 1.213 0.764 1.00 0.00 H new ATOM 570 N ARG A 41 -3.970 1.315 -6.562 1.00 0.00 N ATOM 571 CA ARG A 41 -4.431 0.738 -7.819 1.00 0.00 C ATOM 572 C ARG A 41 -3.498 -0.377 -8.281 1.00 0.00 C ATOM 573 O ARG A 41 -2.304 -0.366 -7.981 1.00 0.00 O ATOM 574 CB ARG A 41 -4.525 1.819 -8.897 1.00 0.00 C ATOM 575 CG ARG A 41 -5.806 2.634 -8.833 1.00 0.00 C ATOM 576 CD ARG A 41 -5.740 3.849 -9.745 1.00 0.00 C ATOM 577 NE ARG A 41 -6.194 3.543 -11.099 1.00 0.00 N ATOM 578 CZ ARG A 41 -6.370 4.463 -12.041 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.132 5.740 -11.777 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.786 4.106 -13.249 1.00 0.00 N ATOM 0 H ARG A 41 -2.957 1.308 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.421 0.313 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.672 2.491 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.452 1.349 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.651 2.008 -9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.982 2.957 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.354 4.648 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.716 4.220 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.387 2.569 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.813 6.018 -10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.268 6.445 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.971 3.124 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.921 4.813 -13.972 1.00 0.00 H new ATOM 594 N LYS A 42 -4.050 -1.339 -9.013 1.00 0.00 N ATOM 595 CA LYS A 42 -3.268 -2.461 -9.518 1.00 0.00 C ATOM 596 C LYS A 42 -3.362 -2.550 -11.037 1.00 0.00 C ATOM 597 O LYS A 42 -4.145 -3.332 -11.576 1.00 0.00 O ATOM 598 CB LYS A 42 -3.751 -3.770 -8.888 1.00 0.00 C ATOM 599 CG LYS A 42 -3.024 -4.999 -9.407 1.00 0.00 C ATOM 600 CD LYS A 42 -3.484 -6.260 -8.695 1.00 0.00 C ATOM 601 CE LYS A 42 -2.973 -7.511 -9.393 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.821 -7.881 -10.560 1.00 0.00 N ATOM 0 H LYS A 42 -5.037 -1.364 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.225 -2.297 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.623 -3.712 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.819 -3.883 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.198 -5.101 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.950 -4.873 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.130 -6.247 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.573 -6.282 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.948 -7.348 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.950 -8.339 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.440 -8.738 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.794 -8.062 -10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.823 -7.102 -11.249 1.00 0.00 H new ATOM 616 N GLY A 43 -2.558 -1.744 -11.724 1.00 0.00 N ATOM 617 CA GLY A 43 -2.566 -1.749 -13.175 1.00 0.00 C ATOM 618 C GLY A 43 -3.957 -1.564 -13.748 1.00 0.00 C ATOM 619 O GLY A 43 -4.597 -0.529 -13.560 1.00 0.00 O ATOM 0 H GLY A 43 -1.901 -1.088 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.917 -0.954 -13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.151 -2.691 -13.534 1.00 0.00 H new ATOM 623 N PRO A 44 -4.446 -2.586 -14.467 1.00 0.00 N ATOM 624 CA PRO A 44 -5.775 -2.555 -15.085 1.00 0.00 C ATOM 625 C PRO A 44 -6.896 -2.617 -14.052 1.00 0.00 C ATOM 626 O PRO A 44 -8.059 -2.373 -14.371 1.00 0.00 O ATOM 627 CB PRO A 44 -5.787 -3.808 -15.963 1.00 0.00 C ATOM 628 CG PRO A 44 -4.806 -4.729 -15.323 1.00 0.00 C ATOM 629 CD PRO A 44 -3.739 -3.850 -14.731 1.00 0.00 C ATOM 0 HA PRO A 44 -5.947 -1.630 -15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.781 -4.254 -16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.501 -3.575 -16.989 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.284 -5.335 -14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.383 -5.418 -16.054 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.327 -4.278 -13.817 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.907 -3.708 -15.420 1.00 0.00 H new ATOM 637 N GLU A 45 -6.537 -2.944 -12.815 1.00 0.00 N ATOM 638 CA GLU A 45 -7.514 -3.038 -11.736 1.00 0.00 C ATOM 639 C GLU A 45 -7.615 -1.718 -10.977 1.00 0.00 C ATOM 640 O GLU A 45 -6.810 -0.810 -11.180 1.00 0.00 O ATOM 641 CB GLU A 45 -7.137 -4.165 -10.773 1.00 0.00 C ATOM 642 CG GLU A 45 -7.703 -5.518 -11.169 1.00 0.00 C ATOM 643 CD GLU A 45 -9.103 -5.745 -10.632 1.00 0.00 C ATOM 644 OE1 GLU A 45 -9.253 -5.865 -9.398 1.00 0.00 O ATOM 645 OE2 GLU A 45 -10.048 -5.801 -11.446 1.00 0.00 O ATOM 0 H GLU A 45 -5.578 -3.148 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.485 -3.258 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.051 -4.237 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.490 -3.911 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.718 -5.597 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.045 -6.305 -10.801 1.00 0.00 H new ATOM 652 N ASN A 46 -8.610 -1.620 -10.102 1.00 0.00 N ATOM 653 CA ASN A 46 -8.818 -0.411 -9.313 1.00 0.00 C ATOM 654 C ASN A 46 -9.080 -0.755 -7.850 1.00 0.00 C ATOM 655 O ASN A 46 -10.163 -1.225 -7.496 1.00 0.00 O ATOM 656 CB ASN A 46 -9.989 0.396 -9.877 1.00 0.00 C ATOM 657 CG ASN A 46 -11.245 -0.438 -10.031 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.209 -1.398 -10.948 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -12.237 -0.222 -9.334 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.285 -2.363 -9.921 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.911 0.191 -9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.195 1.240 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.709 0.808 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.220 0.526 -8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.075 -0.792 -9.449 1.00 0.00 H new ATOM 666 N LEU A 47 -8.084 -0.518 -7.004 1.00 0.00 N ATOM 667 CA LEU A 47 -8.207 -0.802 -5.578 1.00 0.00 C ATOM 668 C LEU A 47 -8.711 0.422 -4.821 1.00 0.00 C ATOM 669 O LEU A 47 -8.563 1.554 -5.282 1.00 0.00 O ATOM 670 CB LEU A 47 -6.859 -1.248 -5.009 1.00 0.00 C ATOM 671 CG LEU A 47 -6.076 -2.257 -5.850 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.702 -2.504 -5.246 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.849 -3.562 -5.974 1.00 0.00 C ATOM 0 H LEU A 47 -7.182 -0.130 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.931 -1.607 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.237 -0.364 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.029 -1.681 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.941 -1.842 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.160 -3.225 -5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.146 -1.567 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.814 -2.898 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.277 -4.268 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.015 -3.982 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.809 -3.372 -6.453 1.00 0.00 H new ATOM 685 N ARG A 48 -9.306 0.187 -3.656 1.00 0.00 N ATOM 686 CA ARG A 48 -9.832 1.270 -2.834 1.00 0.00 C ATOM 687 C ARG A 48 -10.345 0.739 -1.498 1.00 0.00 C ATOM 688 O ARG A 48 -10.706 -0.432 -1.382 1.00 0.00 O ATOM 689 CB ARG A 48 -10.956 1.999 -3.571 1.00 0.00 C ATOM 690 CG ARG A 48 -12.252 1.208 -3.642 1.00 0.00 C ATOM 691 CD ARG A 48 -13.450 2.118 -3.859 1.00 0.00 C ATOM 692 NE ARG A 48 -13.730 2.326 -5.277 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.362 1.440 -6.039 1.00 0.00 C ATOM 694 NH1 ARG A 48 -14.779 0.293 -5.521 1.00 0.00 N ATOM 695 NH2 ARG A 48 -14.580 1.701 -7.321 1.00 0.00 N ATOM 0 H ARG A 48 -9.436 -0.744 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.021 1.971 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.148 2.950 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.625 2.229 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.193 0.483 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.385 0.643 -2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.326 1.685 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.266 3.080 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.424 3.199 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.615 0.089 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.264 -0.385 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.262 2.583 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.065 1.020 -7.905 1.00 0.00 H new ATOM 709 N ASP A 49 -10.375 1.609 -0.494 1.00 0.00 N ATOM 710 CA ASP A 49 -10.844 1.228 0.833 1.00 0.00 C ATOM 711 C ASP A 49 -12.252 0.644 0.764 1.00 0.00 C ATOM 712 O ASP A 49 -13.223 1.363 0.532 1.00 0.00 O ATOM 713 CB ASP A 49 -10.825 2.437 1.770 1.00 0.00 C ATOM 714 CG ASP A 49 -11.526 2.160 3.086 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.160 1.173 3.757 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.439 2.932 3.444 1.00 0.00 O ATOM 0 H ASP A 49 -10.080 2.582 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.172 0.464 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.792 2.726 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.304 3.283 1.277 1.00 0.00 H new ATOM 721 N GLY A 50 -12.354 -0.666 0.968 1.00 0.00 N ATOM 722 CA GLY A 50 -13.647 -1.324 0.924 1.00 0.00 C ATOM 723 C GLY A 50 -13.742 -2.480 1.900 1.00 0.00 C ATOM 724 O GLY A 50 -13.420 -2.334 3.079 1.00 0.00 O ATOM 0 H GLY A 50 -11.565 -1.283 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.429 -0.598 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.831 -1.689 -0.086 1.00 0.00 H new ATOM 728 N ASP A 51 -14.187 -3.632 1.409 1.00 0.00 N ATOM 729 CA ASP A 51 -14.324 -4.818 2.246 1.00 0.00 C ATOM 730 C ASP A 51 -13.098 -5.717 2.120 1.00 0.00 C ATOM 731 O ASP A 51 -12.309 -5.842 3.057 1.00 0.00 O ATOM 732 CB ASP A 51 -15.584 -5.596 1.862 1.00 0.00 C ATOM 733 CG ASP A 51 -16.087 -6.475 2.990 1.00 0.00 C ATOM 734 OD1 ASP A 51 -15.408 -7.472 3.313 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.161 -6.168 3.549 1.00 0.00 O ATOM 0 H ASP A 51 -14.459 -3.769 0.436 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.409 -4.493 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.367 -4.895 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.374 -6.214 0.989 1.00 0.00 H new ATOM 740 N ARG A 52 -12.945 -6.341 0.957 1.00 0.00 N ATOM 741 CA ARG A 52 -11.817 -7.231 0.709 1.00 0.00 C ATOM 742 C ARG A 52 -10.494 -6.517 0.973 1.00 0.00 C ATOM 743 O ARG A 52 -9.570 -7.092 1.549 1.00 0.00 O ATOM 744 CB ARG A 52 -11.853 -7.746 -0.730 1.00 0.00 C ATOM 745 CG ARG A 52 -11.839 -6.641 -1.774 1.00 0.00 C ATOM 746 CD ARG A 52 -12.467 -7.101 -3.080 1.00 0.00 C ATOM 747 NE ARG A 52 -13.926 -7.092 -3.019 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.707 -7.377 -4.055 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.171 -7.693 -5.226 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.027 -7.348 -3.921 1.00 0.00 N ATOM 0 H ARG A 52 -13.588 -6.247 0.171 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.896 -8.077 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.997 -8.400 -0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.748 -8.353 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.379 -5.774 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.812 -6.323 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.134 -6.453 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.120 -8.107 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.370 -6.854 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.157 -7.718 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.773 -7.911 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.443 -7.107 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.625 -7.567 -4.717 1.00 0.00 H new ATOM 764 N TYR A 53 -10.411 -5.262 0.547 1.00 0.00 N ATOM 765 CA TYR A 53 -9.200 -4.470 0.733 1.00 0.00 C ATOM 766 C TYR A 53 -9.298 -3.614 1.993 1.00 0.00 C ATOM 767 O TYR A 53 -10.165 -2.747 2.101 1.00 0.00 O ATOM 768 CB TYR A 53 -8.956 -3.578 -0.485 1.00 0.00 C ATOM 769 CG TYR A 53 -8.757 -4.350 -1.770 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.574 -5.038 -2.014 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.750 -4.391 -2.740 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.387 -5.744 -3.187 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.573 -5.096 -3.915 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.389 -5.770 -4.134 1.00 0.00 C ATOM 775 OH TYR A 53 -8.208 -6.472 -5.303 1.00 0.00 O ATOM 0 H TYR A 53 -11.167 -4.771 0.071 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.361 -5.157 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.802 -2.901 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.077 -2.960 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.788 -5.020 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.677 -3.862 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.461 -6.272 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.357 -5.119 -4.658 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.009 -6.390 -5.861 1.00 0.00 H new ATOM 785 N ILE A 54 -8.402 -3.864 2.941 1.00 0.00 N ATOM 786 CA ILE A 54 -8.386 -3.116 4.192 1.00 0.00 C ATOM 787 C ILE A 54 -7.339 -2.008 4.156 1.00 0.00 C ATOM 788 O ILE A 54 -6.169 -2.233 4.470 1.00 0.00 O ATOM 789 CB ILE A 54 -8.102 -4.036 5.394 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.199 -5.094 5.525 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.992 -3.218 6.673 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.802 -6.275 6.383 1.00 0.00 C ATOM 0 H ILE A 54 -7.678 -4.578 2.867 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.376 -2.674 4.309 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.152 -4.544 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.090 -4.631 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.468 -5.452 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.791 -3.882 7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.178 -2.499 6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.928 -2.686 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.628 -6.984 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.930 -6.763 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.562 -5.930 7.389 1.00 0.00 H new ATOM 804 N LEU A 55 -7.767 -0.810 3.773 1.00 0.00 N ATOM 805 CA LEU A 55 -6.867 0.335 3.697 1.00 0.00 C ATOM 806 C LEU A 55 -6.834 1.091 5.022 1.00 0.00 C ATOM 807 O LEU A 55 -7.838 1.162 5.732 1.00 0.00 O ATOM 808 CB LEU A 55 -7.300 1.276 2.571 1.00 0.00 C ATOM 809 CG LEU A 55 -7.138 0.740 1.149 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.760 1.083 0.603 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.367 -0.764 1.116 1.00 0.00 C ATOM 0 H LEU A 55 -8.731 -0.607 3.510 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.864 -0.036 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.348 1.534 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.728 2.200 2.657 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.887 1.215 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.663 0.693 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.633 2.166 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.995 0.636 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.248 -1.128 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.642 -1.257 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.376 -0.986 1.465 1.00 0.00 H new ATOM 823 N ARG A 56 -5.676 1.654 5.348 1.00 0.00 N ATOM 824 CA ARG A 56 -5.513 2.405 6.587 1.00 0.00 C ATOM 825 C ARG A 56 -4.538 3.564 6.396 1.00 0.00 C ATOM 826 O ARG A 56 -3.672 3.521 5.523 1.00 0.00 O ATOM 827 CB ARG A 56 -5.017 1.486 7.704 1.00 0.00 C ATOM 828 CG ARG A 56 -6.125 0.696 8.380 1.00 0.00 C ATOM 829 CD ARG A 56 -5.704 0.212 9.759 1.00 0.00 C ATOM 830 NE ARG A 56 -6.806 -0.422 10.477 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.849 -0.543 11.799 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.856 -0.075 12.543 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.886 -1.132 12.380 1.00 0.00 N ATOM 0 H ARG A 56 -4.836 1.605 4.771 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.485 2.812 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.285 0.790 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.500 2.085 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.015 1.319 8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.394 -0.159 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.882 -0.496 9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.330 1.055 10.340 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.586 -0.792 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.057 0.379 12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.891 -0.169 13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.652 -1.493 11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.917 -1.224 13.395 1.00 0.00 H new ATOM 847 N GLN A 57 -4.687 4.597 7.219 1.00 0.00 N ATOM 848 CA GLN A 57 -3.821 5.767 7.140 1.00 0.00 C ATOM 849 C GLN A 57 -3.687 6.439 8.502 1.00 0.00 C ATOM 850 O GLN A 57 -4.627 7.067 8.989 1.00 0.00 O ATOM 851 CB GLN A 57 -4.368 6.764 6.117 1.00 0.00 C ATOM 852 CG GLN A 57 -3.388 7.871 5.763 1.00 0.00 C ATOM 853 CD GLN A 57 -3.913 8.790 4.677 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.108 8.801 4.382 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.020 9.568 4.076 1.00 0.00 N ATOM 0 H GLN A 57 -5.399 4.647 7.948 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.833 5.435 6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.641 6.227 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.282 7.211 6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.170 8.457 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.448 7.428 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.039 9.526 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.315 10.207 3.338 1.00 0.00 H new ATOM 864 N GLU A 58 -2.514 6.302 9.112 1.00 0.00 N ATOM 865 CA GLU A 58 -2.260 6.895 10.420 1.00 0.00 C ATOM 866 C GLU A 58 -1.420 8.163 10.288 1.00 0.00 C ATOM 867 O GLU A 58 -0.590 8.463 11.145 1.00 0.00 O ATOM 868 CB GLU A 58 -1.549 5.892 11.330 1.00 0.00 C ATOM 869 CG GLU A 58 -2.464 4.807 11.873 1.00 0.00 C ATOM 870 CD GLU A 58 -3.580 5.364 12.737 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.362 6.408 13.386 1.00 0.00 O ATOM 872 OE2 GLU A 58 -4.670 4.756 12.763 1.00 0.00 O ATOM 0 H GLU A 58 -1.725 5.786 8.722 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.220 7.160 10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.735 5.425 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.099 6.428 12.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.896 4.251 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.876 4.099 12.457 1.00 0.00 H new ATOM 879 N GLY A 59 -1.643 8.903 9.206 1.00 0.00 N ATOM 880 CA GLY A 59 -0.900 10.129 8.980 1.00 0.00 C ATOM 881 C GLY A 59 -0.240 10.164 7.616 1.00 0.00 C ATOM 882 O GLY A 59 -0.882 9.897 6.600 1.00 0.00 O ATOM 0 H GLY A 59 -2.325 8.675 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.573 10.981 9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.138 10.236 9.752 1.00 0.00 H new ATOM 886 N THR A 60 1.048 10.495 7.592 1.00 0.00 N ATOM 887 CA THR A 60 1.795 10.567 6.343 1.00 0.00 C ATOM 888 C THR A 60 2.036 9.177 5.765 1.00 0.00 C ATOM 889 O THR A 60 2.270 9.024 4.566 1.00 0.00 O ATOM 890 CB THR A 60 3.151 11.271 6.538 1.00 0.00 C ATOM 891 OG1 THR A 60 3.840 10.704 7.658 1.00 0.00 O ATOM 892 CG2 THR A 60 2.958 12.764 6.758 1.00 0.00 C ATOM 0 H THR A 60 1.595 10.717 8.424 1.00 0.00 H new ATOM 0 HA THR A 60 1.190 11.147 5.647 1.00 0.00 H new ATOM 0 HB THR A 60 3.745 11.126 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.702 11.156 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.929 13.240 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.459 13.198 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.348 12.925 7.647 1.00 0.00 H new ATOM 900 N ARG A 61 1.976 8.165 6.625 1.00 0.00 N ATOM 901 CA ARG A 61 2.189 6.787 6.200 1.00 0.00 C ATOM 902 C ARG A 61 0.860 6.098 5.905 1.00 0.00 C ATOM 903 O ARG A 61 -0.116 6.271 6.636 1.00 0.00 O ATOM 904 CB ARG A 61 2.950 6.011 7.276 1.00 0.00 C ATOM 905 CG ARG A 61 2.958 4.507 7.051 1.00 0.00 C ATOM 906 CD ARG A 61 3.302 3.755 8.328 1.00 0.00 C ATOM 907 NE ARG A 61 2.846 2.369 8.286 1.00 0.00 N ATOM 908 CZ ARG A 61 2.880 1.552 9.333 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.347 1.981 10.497 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.446 0.303 9.217 1.00 0.00 N ATOM 0 H ARG A 61 1.782 8.274 7.620 1.00 0.00 H new ATOM 0 HA ARG A 61 2.782 6.803 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.979 6.370 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.504 6.222 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.980 4.187 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.681 4.258 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.381 3.777 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.848 4.261 9.180 1.00 0.00 H new ATOM 0 HE ARG A 61 2.481 2.008 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.681 2.940 10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.372 1.352 11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.086 -0.031 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.473 -0.323 10.022 1.00 0.00 H new ATOM 924 N CYS A 62 0.830 5.318 4.830 1.00 0.00 N ATOM 925 CA CYS A 62 -0.380 4.604 4.438 1.00 0.00 C ATOM 926 C CYS A 62 -0.166 3.095 4.504 1.00 0.00 C ATOM 927 O CYS A 62 0.968 2.622 4.555 1.00 0.00 O ATOM 928 CB CYS A 62 -0.801 5.010 3.024 1.00 0.00 C ATOM 929 SG CYS A 62 -1.106 6.781 2.825 1.00 0.00 S ATOM 0 H CYS A 62 1.629 5.164 4.215 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.173 4.871 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.024 4.705 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.705 4.464 2.755 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.378 6.986 2.655 1.00 0.00 H new ATOM 935 N GLU A 63 -1.265 2.347 4.505 1.00 0.00 N ATOM 936 CA GLU A 63 -1.197 0.891 4.568 1.00 0.00 C ATOM 937 C GLU A 63 -2.324 0.258 3.756 1.00 0.00 C ATOM 938 O GLU A 63 -3.488 0.636 3.890 1.00 0.00 O ATOM 939 CB GLU A 63 -1.271 0.418 6.021 1.00 0.00 C ATOM 940 CG GLU A 63 -0.148 0.952 6.893 1.00 0.00 C ATOM 941 CD GLU A 63 -0.534 1.030 8.358 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.408 0.006 9.060 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.963 2.117 8.801 1.00 0.00 O ATOM 0 H GLU A 63 -2.212 2.724 4.463 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.245 0.578 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.227 0.725 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.248 -0.672 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.727 0.311 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.138 1.944 6.543 1.00 0.00 H new ATOM 950 N LEU A 64 -1.969 -0.706 2.915 1.00 0.00 N ATOM 951 CA LEU A 64 -2.949 -1.393 2.081 1.00 0.00 C ATOM 952 C LEU A 64 -2.922 -2.897 2.334 1.00 0.00 C ATOM 953 O LEU A 64 -1.866 -3.525 2.278 1.00 0.00 O ATOM 954 CB LEU A 64 -2.679 -1.108 0.602 1.00 0.00 C ATOM 955 CG LEU A 64 -3.196 -2.152 -0.388 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.714 -2.103 -0.470 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.579 -1.936 -1.762 1.00 0.00 C ATOM 0 H LEU A 64 -1.010 -1.030 2.792 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.938 -1.017 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.125 -0.146 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.603 -1.006 0.463 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.903 -3.139 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.064 -2.853 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.138 -2.307 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.029 -1.114 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.958 -2.688 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.841 -0.943 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.495 -2.022 -1.692 1.00 0.00 H new ATOM 969 N GLN A 65 -4.091 -3.466 2.610 1.00 0.00 N ATOM 970 CA GLN A 65 -4.200 -4.897 2.870 1.00 0.00 C ATOM 971 C GLN A 65 -5.068 -5.577 1.816 1.00 0.00 C ATOM 972 O GLN A 65 -6.184 -5.135 1.538 1.00 0.00 O ATOM 973 CB GLN A 65 -4.784 -5.140 4.263 1.00 0.00 C ATOM 974 CG GLN A 65 -3.730 -5.401 5.327 1.00 0.00 C ATOM 975 CD GLN A 65 -4.334 -5.773 6.667 1.00 0.00 C ATOM 976 OE1 GLN A 65 -5.284 -6.552 6.738 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.783 -5.216 7.739 1.00 0.00 N ATOM 0 H GLN A 65 -4.975 -2.959 2.659 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.200 -5.327 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.377 -4.273 4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.463 -5.991 4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.073 -6.204 4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.111 -4.512 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.996 -4.575 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.146 -5.429 8.668 1.00 0.00 H new ATOM 986 N ILE A 66 -4.549 -6.652 1.234 1.00 0.00 N ATOM 987 CA ILE A 66 -5.278 -7.393 0.211 1.00 0.00 C ATOM 988 C ILE A 66 -5.722 -8.756 0.731 1.00 0.00 C ATOM 989 O ILE A 66 -5.017 -9.753 0.572 1.00 0.00 O ATOM 990 CB ILE A 66 -4.424 -7.593 -1.055 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.936 -6.243 -1.586 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.221 -8.330 -2.120 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.643 -6.332 -2.366 1.00 0.00 C ATOM 0 H ILE A 66 -3.627 -7.030 1.453 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.156 -6.800 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.554 -8.197 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.707 -5.813 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.799 -5.560 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.604 -8.464 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.524 -9.305 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.107 -7.750 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.357 -5.338 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.858 -6.733 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.781 -6.989 -3.225 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.896 -8.792 1.352 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.436 -10.033 1.895 1.00 0.00 C ATOM 1007 C CYS A 67 -7.743 -11.026 0.780 1.00 0.00 C ATOM 1008 O CYS A 67 -8.588 -10.772 -0.077 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.701 -9.751 2.707 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.063 -10.996 3.967 1.00 0.00 S ATOM 0 H CYS A 67 -7.492 -7.976 1.492 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.683 -10.472 2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.600 -8.779 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.549 -9.682 2.026 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.149 -10.668 4.601 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.049 -12.160 0.796 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.260 -13.174 -0.221 1.00 0.00 C ATOM 1018 C GLY A 68 -6.247 -13.089 -1.345 1.00 0.00 C ATOM 1019 O GLY A 68 -6.593 -12.756 -2.479 1.00 0.00 O ATOM 0 H GLY A 68 -6.344 -12.395 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.206 -14.161 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.264 -13.068 -0.632 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.991 -13.389 -1.031 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.923 -13.343 -2.023 1.00 0.00 C ATOM 1025 C LEU A 69 -4.039 -14.506 -3.003 1.00 0.00 C ATOM 1026 O LEU A 69 -4.641 -15.534 -2.693 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.558 -13.377 -1.333 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.105 -12.073 -0.676 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.909 -12.320 0.231 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.768 -11.032 -1.734 1.00 0.00 C ATOM 0 H LEU A 69 -4.688 -13.667 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.019 -12.411 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.578 -14.156 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.809 -13.669 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.924 -11.691 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.600 -11.381 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.184 -13.031 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.085 -12.725 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.447 -10.110 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.965 -11.406 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.650 -10.834 -2.343 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.459 -14.336 -4.187 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.494 -15.373 -5.211 1.00 0.00 C ATOM 1044 C ALA A 70 -2.491 -15.082 -6.321 1.00 0.00 C ATOM 1045 O ALA A 70 -2.089 -13.936 -6.523 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.898 -15.500 -5.785 1.00 0.00 C ATOM 0 H ALA A 70 -2.959 -13.490 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.216 -16.319 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.910 -16.278 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.594 -15.763 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.197 -14.551 -6.230 1.00 0.00 H new ATOM 1052 N MET A 71 -2.089 -16.127 -7.038 1.00 0.00 N ATOM 1053 CA MET A 71 -1.132 -15.982 -8.128 1.00 0.00 C ATOM 1054 C MET A 71 -1.383 -14.693 -8.904 1.00 0.00 C ATOM 1055 O MET A 71 -0.445 -13.979 -9.260 1.00 0.00 O ATOM 1056 CB MET A 71 -1.216 -17.183 -9.072 1.00 0.00 C ATOM 1057 CG MET A 71 -0.853 -18.503 -8.409 1.00 0.00 C ATOM 1058 SD MET A 71 0.916 -18.847 -8.468 1.00 0.00 S ATOM 1059 CE MET A 71 1.432 -18.242 -6.863 1.00 0.00 C ATOM 0 H MET A 71 -2.411 -17.082 -6.883 1.00 0.00 H new ATOM 0 HA MET A 71 -0.132 -15.937 -7.696 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.228 -17.252 -9.470 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.551 -17.016 -9.919 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.181 -18.485 -7.370 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.393 -19.312 -8.900 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.325 -18.779 -6.542 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.653 -17.177 -6.930 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.633 -18.402 -6.140 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.653 -14.402 -9.164 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.027 -13.198 -9.896 1.00 0.00 C ATOM 1071 C ALA A 72 -2.520 -11.945 -9.189 1.00 0.00 C ATOM 1072 O ALA A 72 -1.886 -11.087 -9.803 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.537 -13.134 -10.071 1.00 0.00 C ATOM 0 H ALA A 72 -3.441 -14.984 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.560 -13.242 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.802 -12.230 -10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.876 -14.008 -10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.016 -13.118 -9.092 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.805 -11.847 -7.895 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.378 -10.699 -7.103 1.00 0.00 C ATOM 1081 C ASP A 73 -0.968 -10.265 -7.492 1.00 0.00 C ATOM 1082 O ASP A 73 -0.686 -9.073 -7.611 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.429 -11.033 -5.612 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.829 -11.384 -5.145 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.472 -12.238 -5.789 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.280 -10.803 -4.135 1.00 0.00 O ATOM 0 H ASP A 73 -3.330 -12.548 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.062 -9.875 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.760 -11.869 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.061 -10.182 -5.039 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.087 -11.241 -7.688 1.00 0.00 N ATOM 1092 CA ALA A 74 1.293 -10.960 -8.064 1.00 0.00 C ATOM 1093 C ALA A 74 1.359 -10.222 -9.396 1.00 0.00 C ATOM 1094 O ALA A 74 1.084 -10.795 -10.449 1.00 0.00 O ATOM 1095 CB ALA A 74 2.094 -12.251 -8.133 1.00 0.00 C ATOM 0 H ALA A 74 -0.305 -12.233 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 74 1.728 -10.316 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.123 -12.026 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.083 -12.739 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.651 -12.915 -8.876 1.00 0.00 H new ATOM 1101 N GLY A 75 1.726 -8.945 -9.343 1.00 0.00 N ATOM 1102 CA GLY A 75 1.821 -8.149 -10.553 1.00 0.00 C ATOM 1103 C GLY A 75 2.530 -6.829 -10.324 1.00 0.00 C ATOM 1104 O GLY A 75 3.750 -6.792 -10.169 1.00 0.00 O ATOM 0 H GLY A 75 1.959 -8.448 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.353 -8.716 -11.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.819 -7.958 -10.938 1.00 0.00 H new ATOM 1108 N GLU A 76 1.764 -5.743 -10.305 1.00 0.00 N ATOM 1109 CA GLU A 76 2.328 -4.414 -10.096 1.00 0.00 C ATOM 1110 C GLU A 76 1.325 -3.500 -9.399 1.00 0.00 C ATOM 1111 O GLU A 76 0.278 -3.169 -9.957 1.00 0.00 O ATOM 1112 CB GLU A 76 2.751 -3.800 -11.432 1.00 0.00 C ATOM 1113 CG GLU A 76 3.153 -2.338 -11.330 1.00 0.00 C ATOM 1114 CD GLU A 76 4.051 -1.899 -12.470 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.607 -1.969 -13.635 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.198 -1.486 -12.198 1.00 0.00 O ATOM 0 H GLU A 76 0.752 -5.757 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 76 3.205 -4.516 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.587 -4.371 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.929 -3.893 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.256 -1.718 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.667 -2.171 -10.383 1.00 0.00 H new ATOM 1123 N TYR A 77 1.651 -3.097 -8.176 1.00 0.00 N ATOM 1124 CA TYR A 77 0.778 -2.225 -7.400 1.00 0.00 C ATOM 1125 C TYR A 77 1.297 -0.790 -7.406 1.00 0.00 C ATOM 1126 O TYR A 77 2.484 -0.545 -7.181 1.00 0.00 O ATOM 1127 CB TYR A 77 0.663 -2.731 -5.962 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.110 -4.025 -5.835 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.525 -5.253 -5.978 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.474 -4.020 -5.575 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.177 -6.437 -5.865 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.184 -5.199 -5.458 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.531 -6.405 -5.604 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.234 -7.582 -5.490 1.00 0.00 O ATOM 0 H TYR A 77 2.514 -3.361 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.209 -2.238 -7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.664 -2.874 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.178 -1.967 -5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.585 -5.282 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.989 -3.077 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.331 -7.383 -5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.244 -5.177 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.954 -8.200 -6.197 1.00 0.00 H new ATOM 1144 N LEU A 78 0.401 0.156 -7.663 1.00 0.00 N ATOM 1145 CA LEU A 78 0.766 1.568 -7.698 1.00 0.00 C ATOM 1146 C LEU A 78 0.036 2.346 -6.608 1.00 0.00 C ATOM 1147 O LEU A 78 -1.123 2.064 -6.301 1.00 0.00 O ATOM 1148 CB LEU A 78 0.445 2.164 -9.069 1.00 0.00 C ATOM 1149 CG LEU A 78 1.394 1.784 -10.206 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.917 0.518 -10.899 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.516 2.927 -11.203 1.00 0.00 C ATOM 0 H LEU A 78 -0.584 -0.029 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 78 1.838 1.646 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.564 1.860 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.436 3.250 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 78 2.380 1.592 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.605 0.263 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.883 -0.300 -10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.079 0.682 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.195 2.639 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.535 3.151 -11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.906 3.811 -10.698 1.00 0.00 H new ATOM 1163 N CYS A 79 0.720 3.326 -6.029 1.00 0.00 N ATOM 1164 CA CYS A 79 0.136 4.147 -4.974 1.00 0.00 C ATOM 1165 C CYS A 79 0.150 5.622 -5.361 1.00 0.00 C ATOM 1166 O CYS A 79 1.199 6.266 -5.356 1.00 0.00 O ATOM 1167 CB CYS A 79 0.896 3.944 -3.662 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.017 4.468 -2.192 1.00 0.00 S ATOM 0 H CYS A 79 1.680 3.572 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.900 3.836 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.151 2.889 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.835 4.496 -3.709 1.00 0.00 H new ATOM 0 HG CYS A 79 0.797 4.551 -1.182 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.022 6.151 -5.700 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.144 7.550 -6.091 1.00 0.00 C ATOM 1176 C VAL A 80 -1.453 8.432 -4.887 1.00 0.00 C ATOM 1177 O VAL A 80 -2.282 8.083 -4.045 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.246 7.741 -7.151 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.237 9.168 -7.678 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.072 6.744 -8.286 1.00 0.00 C ATOM 0 H VAL A 80 -1.900 5.632 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.185 7.846 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.213 7.558 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.022 9.285 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.414 9.861 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.269 9.382 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.859 6.893 -9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.100 6.893 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.132 5.730 -7.892 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.783 9.576 -4.812 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.986 10.510 -3.710 1.00 0.00 C ATOM 1192 C CYS A 81 -1.377 11.889 -4.230 1.00 0.00 C ATOM 1193 O CYS A 81 -1.005 12.910 -3.653 1.00 0.00 O ATOM 1194 CB CYS A 81 0.282 10.612 -2.861 1.00 0.00 C ATOM 1195 SG CYS A 81 1.659 11.443 -3.687 1.00 0.00 S ATOM 0 H CYS A 81 -0.095 9.879 -5.501 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.800 10.132 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.048 11.147 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.596 9.608 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 81 2.598 10.580 -3.940 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.127 11.911 -5.328 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.554 13.170 -5.909 1.00 0.00 C ATOM 1203 C GLY A 82 -1.803 13.505 -7.183 1.00 0.00 C ATOM 1204 O GLY A 82 -2.154 13.027 -8.261 1.00 0.00 O ATOM 0 H GLY A 82 -2.446 11.079 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.622 13.125 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.407 13.970 -5.183 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.768 14.329 -7.058 1.00 0.00 N ATOM 1209 CA GLN A 83 0.033 14.729 -8.209 1.00 0.00 C ATOM 1210 C GLN A 83 1.132 13.708 -8.489 1.00 0.00 C ATOM 1211 O GLN A 83 1.486 13.465 -9.642 1.00 0.00 O ATOM 1212 CB GLN A 83 0.649 16.108 -7.974 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.281 17.258 -8.325 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.623 17.303 -9.801 1.00 0.00 C ATOM 1215 OE1 GLN A 83 0.246 17.132 -10.657 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.894 17.534 -10.108 1.00 0.00 N ATOM 0 H GLN A 83 -0.464 14.733 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.623 14.776 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.939 16.193 -6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.560 16.195 -8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.200 17.167 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.186 18.199 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.581 17.670 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.183 17.575 -11.085 1.00 0.00 H new ATOM 1225 N GLU A 84 1.666 13.115 -7.426 1.00 0.00 N ATOM 1226 CA GLU A 84 2.726 12.122 -7.558 1.00 0.00 C ATOM 1227 C GLU A 84 2.153 10.708 -7.525 1.00 0.00 C ATOM 1228 O GLU A 84 0.959 10.516 -7.296 1.00 0.00 O ATOM 1229 CB GLU A 84 3.757 12.293 -6.441 1.00 0.00 C ATOM 1230 CG GLU A 84 4.686 13.478 -6.646 1.00 0.00 C ATOM 1231 CD GLU A 84 3.962 14.703 -7.171 1.00 0.00 C ATOM 1232 OE1 GLU A 84 3.589 14.705 -8.363 1.00 0.00 O ATOM 1233 OE2 GLU A 84 3.768 15.658 -6.391 1.00 0.00 O ATOM 0 H GLU A 84 1.382 13.305 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 84 3.215 12.275 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.235 12.411 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.353 11.384 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.169 13.724 -5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.475 13.200 -7.345 1.00 0.00 H new ATOM 1240 N ARG A 85 3.014 9.722 -7.755 1.00 0.00 N ATOM 1241 CA ARG A 85 2.595 8.326 -7.754 1.00 0.00 C ATOM 1242 C ARG A 85 3.797 7.397 -7.890 1.00 0.00 C ATOM 1243 O ARG A 85 4.759 7.707 -8.594 1.00 0.00 O ATOM 1244 CB ARG A 85 1.605 8.067 -8.891 1.00 0.00 C ATOM 1245 CG ARG A 85 2.195 8.293 -10.274 1.00 0.00 C ATOM 1246 CD ARG A 85 1.425 7.528 -11.339 1.00 0.00 C ATOM 1247 NE ARG A 85 2.038 7.660 -12.658 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.663 6.950 -13.717 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.684 6.063 -13.612 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.270 7.127 -14.884 1.00 0.00 N ATOM 0 H ARG A 85 4.006 9.864 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 85 2.105 8.121 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.245 7.040 -8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.740 8.717 -8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.181 9.358 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.239 7.979 -10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.377 6.474 -11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.399 7.894 -11.378 1.00 0.00 H new ATOM 0 HE ARG A 85 2.795 8.334 -12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.216 5.924 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.399 5.520 -14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.025 7.808 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.982 6.582 -15.697 1.00 0.00 H new ATOM 1264 N THR A 86 3.738 6.256 -7.210 1.00 0.00 N ATOM 1265 CA THR A 86 4.821 5.283 -7.254 1.00 0.00 C ATOM 1266 C THR A 86 4.300 3.894 -7.607 1.00 0.00 C ATOM 1267 O THR A 86 3.128 3.587 -7.388 1.00 0.00 O ATOM 1268 CB THR A 86 5.567 5.211 -5.907 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.578 4.198 -5.960 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.602 4.913 -4.770 1.00 0.00 C ATOM 0 H THR A 86 2.950 5.984 -6.622 1.00 0.00 H new ATOM 0 HA THR A 86 5.513 5.616 -8.028 1.00 0.00 H new ATOM 0 HB THR A 86 6.033 6.179 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.048 4.160 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.151 4.867 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.851 5.701 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.111 3.957 -4.951 1.00 0.00 H new ATOM 1278 N SER A 87 5.177 3.059 -8.155 1.00 0.00 N ATOM 1279 CA SER A 87 4.804 1.704 -8.541 1.00 0.00 C ATOM 1280 C SER A 87 5.709 0.678 -7.866 1.00 0.00 C ATOM 1281 O SER A 87 6.824 0.994 -7.454 1.00 0.00 O ATOM 1282 CB SER A 87 4.880 1.545 -10.061 1.00 0.00 C ATOM 1283 OG SER A 87 6.203 1.739 -10.529 1.00 0.00 O ATOM 0 H SER A 87 6.151 3.298 -8.342 1.00 0.00 H new ATOM 0 HA SER A 87 3.779 1.529 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.533 0.551 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.213 2.263 -10.539 1.00 0.00 H new ATOM 0 HG SER A 87 6.225 1.630 -11.503 1.00 0.00 H new ATOM 1289 N ALA A 88 5.218 -0.553 -7.756 1.00 0.00 N ATOM 1290 CA ALA A 88 5.982 -1.627 -7.133 1.00 0.00 C ATOM 1291 C ALA A 88 5.679 -2.969 -7.791 1.00 0.00 C ATOM 1292 O ALA A 88 4.912 -3.043 -8.751 1.00 0.00 O ATOM 1293 CB ALA A 88 5.685 -1.689 -5.642 1.00 0.00 C ATOM 0 H ALA A 88 4.295 -0.831 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 88 7.042 -1.415 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.262 -2.495 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.958 -0.742 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.622 -1.874 -5.490 1.00 0.00 H new ATOM 1299 N THR A 89 6.288 -4.029 -7.269 1.00 0.00 N ATOM 1300 CA THR A 89 6.085 -5.368 -7.807 1.00 0.00 C ATOM 1301 C THR A 89 5.900 -6.388 -6.689 1.00 0.00 C ATOM 1302 O THR A 89 6.837 -6.689 -5.948 1.00 0.00 O ATOM 1303 CB THR A 89 7.268 -5.803 -8.692 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.477 -4.847 -9.736 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.016 -7.176 -9.297 1.00 0.00 C ATOM 0 H THR A 89 6.926 -3.986 -6.474 1.00 0.00 H new ATOM 0 HA THR A 89 5.181 -5.330 -8.414 1.00 0.00 H new ATOM 0 HB THR A 89 8.159 -5.857 -8.067 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.232 -5.131 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.865 -7.461 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.888 -7.907 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.114 -7.144 -9.908 1.00 0.00 H new ATOM 1313 N LEU A 90 4.687 -6.916 -6.572 1.00 0.00 N ATOM 1314 CA LEU A 90 4.378 -7.904 -5.543 1.00 0.00 C ATOM 1315 C LEU A 90 4.640 -9.318 -6.050 1.00 0.00 C ATOM 1316 O LEU A 90 4.627 -9.570 -7.256 1.00 0.00 O ATOM 1317 CB LEU A 90 2.920 -7.770 -5.100 1.00 0.00 C ATOM 1318 CG LEU A 90 2.438 -8.783 -4.061 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.081 -8.509 -2.711 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.921 -8.751 -3.949 1.00 0.00 C ATOM 0 H LEU A 90 3.901 -6.677 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 90 5.029 -7.718 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.775 -6.768 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.284 -7.853 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 90 2.737 -9.779 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.726 -9.240 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.165 -8.584 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.814 -7.506 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.596 -9.478 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.599 -7.754 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.480 -8.998 -4.915 1.00 0.00 H new ATOM 1332 N THR A 91 4.875 -10.241 -5.122 1.00 0.00 N ATOM 1333 CA THR A 91 5.139 -11.630 -5.475 1.00 0.00 C ATOM 1334 C THR A 91 4.290 -12.580 -4.638 1.00 0.00 C ATOM 1335 O THR A 91 4.160 -12.407 -3.426 1.00 0.00 O ATOM 1336 CB THR A 91 6.625 -11.986 -5.285 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.413 -11.357 -6.302 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.832 -13.492 -5.335 1.00 0.00 C ATOM 0 H THR A 91 4.888 -10.051 -4.120 1.00 0.00 H new ATOM 0 HA THR A 91 4.878 -11.744 -6.527 1.00 0.00 H new ATOM 0 HB THR A 91 6.940 -11.625 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.357 -11.587 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.889 -13.719 -5.198 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.254 -13.965 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.501 -13.873 -6.301 1.00 0.00 H new ATOM 1346 N ILE A 92 3.714 -13.583 -5.291 1.00 0.00 N ATOM 1347 CA ILE A 92 2.879 -14.562 -4.606 1.00 0.00 C ATOM 1348 C ILE A 92 3.555 -15.928 -4.563 1.00 0.00 C ATOM 1349 O ILE A 92 4.330 -16.276 -5.453 1.00 0.00 O ATOM 1350 CB ILE A 92 1.504 -14.703 -5.286 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.844 -13.331 -5.441 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.611 -15.639 -4.485 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.272 -12.787 -4.151 1.00 0.00 C ATOM 0 H ILE A 92 3.810 -13.739 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 92 2.737 -14.198 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 92 1.648 -15.130 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.578 -12.625 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.047 -13.402 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.357 -15.729 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.078 -16.622 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.471 -15.238 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.180 -11.812 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.486 -13.472 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.069 -12.684 -3.415 1.00 0.00 H new ATOM 1365 N ARG A 93 3.255 -16.698 -3.522 1.00 0.00 N ATOM 1366 CA ARG A 93 3.833 -18.027 -3.363 1.00 0.00 C ATOM 1367 C ARG A 93 2.740 -19.079 -3.201 1.00 0.00 C ATOM 1368 O ARG A 93 2.049 -19.120 -2.184 1.00 0.00 O ATOM 1369 CB ARG A 93 4.768 -18.057 -2.153 1.00 0.00 C ATOM 1370 CG ARG A 93 6.160 -17.521 -2.445 1.00 0.00 C ATOM 1371 CD ARG A 93 7.020 -18.557 -3.151 1.00 0.00 C ATOM 1372 NE ARG A 93 8.421 -18.150 -3.222 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.425 -19.002 -3.395 1.00 0.00 C ATOM 1374 NH1 ARG A 93 9.186 -20.300 -3.515 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.674 -18.554 -3.450 1.00 0.00 N ATOM 0 H ARG A 93 2.615 -16.424 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 93 4.405 -18.258 -4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.324 -17.472 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.851 -19.083 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.084 -16.627 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.639 -17.223 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.945 -19.509 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.638 -18.719 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 93 8.640 -17.158 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.228 -20.648 -3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.960 -20.951 -3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.862 -17.556 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.445 -19.208 -3.583 1.00 0.00 H new ATOM 1389 N ALA A 94 2.590 -19.929 -4.212 1.00 0.00 N ATOM 1390 CA ALA A 94 1.583 -20.982 -4.182 1.00 0.00 C ATOM 1391 C ALA A 94 1.551 -21.672 -2.822 1.00 0.00 C ATOM 1392 O ALA A 94 2.591 -22.047 -2.280 1.00 0.00 O ATOM 1393 CB ALA A 94 1.847 -21.997 -5.284 1.00 0.00 C ATOM 0 H ALA A 94 3.153 -19.909 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 94 0.609 -20.523 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.087 -22.778 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.812 -21.499 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.831 -22.442 -5.140 1.00 0.00 H new ATOM 1399 N LEU A 95 0.351 -21.836 -2.276 1.00 0.00 N ATOM 1400 CA LEU A 95 0.183 -22.480 -0.978 1.00 0.00 C ATOM 1401 C LEU A 95 0.665 -23.926 -1.021 1.00 0.00 C ATOM 1402 O LEU A 95 0.764 -24.542 -2.083 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.284 -22.432 -0.548 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.739 -21.148 0.147 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.235 -20.945 -0.033 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.377 -21.185 1.624 1.00 0.00 C ATOM 0 H LEU A 95 -0.520 -21.532 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 95 0.786 -21.937 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.905 -22.583 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.473 -23.271 0.122 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.222 -20.306 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.540 -20.027 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.467 -20.873 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.771 -21.790 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.708 -20.264 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.866 -22.036 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.297 -21.282 1.732 1.00 0.00 H new ATOM 1418 N PRO A 96 0.969 -24.485 0.160 1.00 0.00 N ATOM 1419 CA PRO A 96 1.443 -25.867 0.283 1.00 0.00 C ATOM 1420 C PRO A 96 0.350 -26.884 -0.027 1.00 0.00 C ATOM 1421 O PRO A 96 -0.826 -26.535 -0.127 1.00 0.00 O ATOM 1422 CB PRO A 96 1.866 -25.967 1.751 1.00 0.00 C ATOM 1423 CG PRO A 96 1.054 -24.932 2.450 1.00 0.00 C ATOM 1424 CD PRO A 96 0.874 -23.811 1.465 1.00 0.00 C ATOM 0 HA PRO A 96 2.245 -26.088 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.671 -26.961 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.933 -25.780 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.091 -25.336 2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.559 -24.583 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.088 -23.315 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.644 -23.048 1.580 1.00 0.00 H new ATOM 1432 N SER A 97 0.746 -28.144 -0.178 1.00 0.00 N ATOM 1433 CA SER A 97 -0.200 -29.212 -0.480 1.00 0.00 C ATOM 1434 C SER A 97 -0.958 -29.636 0.774 1.00 0.00 C ATOM 1435 O SER A 97 -0.363 -30.094 1.748 1.00 0.00 O ATOM 1436 CB SER A 97 0.531 -30.414 -1.080 1.00 0.00 C ATOM 1437 OG SER A 97 1.183 -30.065 -2.288 1.00 0.00 O ATOM 0 H SER A 97 1.716 -28.450 -0.096 1.00 0.00 H new ATOM 0 HA SER A 97 -0.919 -28.834 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.262 -30.793 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.179 -31.219 -1.266 1.00 0.00 H new ATOM 0 HG SER A 97 1.644 -30.851 -2.650 1.00 0.00 H new ATOM 1443 N GLY A 98 -2.278 -29.480 0.741 1.00 0.00 N ATOM 1444 CA GLY A 98 -3.098 -29.851 1.879 1.00 0.00 C ATOM 1445 C GLY A 98 -4.493 -30.284 1.473 1.00 0.00 C ATOM 1446 O GLY A 98 -4.730 -31.440 1.123 1.00 0.00 O ATOM 0 H GLY A 98 -2.794 -29.103 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.613 -30.662 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.168 -29.005 2.563 1.00 0.00 H new ATOM 1450 N PRO A 99 -5.446 -29.341 1.519 1.00 0.00 N ATOM 1451 CA PRO A 99 -6.841 -29.607 1.158 1.00 0.00 C ATOM 1452 C PRO A 99 -7.016 -29.850 -0.338 1.00 0.00 C ATOM 1453 O PRO A 99 -8.032 -30.391 -0.774 1.00 0.00 O ATOM 1454 CB PRO A 99 -7.568 -28.328 1.580 1.00 0.00 C ATOM 1455 CG PRO A 99 -6.522 -27.268 1.541 1.00 0.00 C ATOM 1456 CD PRO A 99 -5.234 -27.942 1.927 1.00 0.00 C ATOM 0 HA PRO A 99 -7.221 -30.508 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.390 -28.098 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.995 -28.426 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.449 -26.828 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.761 -26.459 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.380 -27.499 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.042 -27.860 2.997 1.00 0.00 H new ATOM 1464 N SER A 100 -6.019 -29.446 -1.119 1.00 0.00 N ATOM 1465 CA SER A 100 -6.065 -29.617 -2.566 1.00 0.00 C ATOM 1466 C SER A 100 -4.811 -30.326 -3.069 1.00 0.00 C ATOM 1467 O SER A 100 -3.690 -29.926 -2.755 1.00 0.00 O ATOM 1468 CB SER A 100 -6.209 -28.260 -3.257 1.00 0.00 C ATOM 1469 OG SER A 100 -7.488 -27.699 -3.017 1.00 0.00 O ATOM 0 H SER A 100 -5.170 -28.998 -0.774 1.00 0.00 H new ATOM 0 HA SER A 100 -6.931 -30.233 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.437 -27.581 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.055 -28.376 -4.330 1.00 0.00 H new ATOM 0 HG SER A 100 -7.554 -26.831 -3.468 1.00 0.00 H new ATOM 1475 N SER A 101 -5.010 -31.382 -3.853 1.00 0.00 N ATOM 1476 CA SER A 101 -3.897 -32.150 -4.397 1.00 0.00 C ATOM 1477 C SER A 101 -3.354 -31.496 -5.665 1.00 0.00 C ATOM 1478 O SER A 101 -4.081 -30.810 -6.383 1.00 0.00 O ATOM 1479 CB SER A 101 -4.337 -33.584 -4.697 1.00 0.00 C ATOM 1480 OG SER A 101 -5.357 -33.609 -5.681 1.00 0.00 O ATOM 0 H SER A 101 -5.932 -31.724 -4.125 1.00 0.00 H new ATOM 0 HA SER A 101 -3.103 -32.170 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.482 -34.166 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.697 -34.056 -3.783 1.00 0.00 H new ATOM 0 HG SER A 101 -5.620 -34.537 -5.856 1.00 0.00 H new ATOM 1486 N GLY A 102 -2.071 -31.716 -5.934 1.00 0.00 N ATOM 1487 CA GLY A 102 -1.452 -31.142 -7.115 1.00 0.00 C ATOM 1488 C GLY A 102 -1.490 -32.082 -8.304 1.00 0.00 C ATOM 1489 O GLY A 102 -0.562 -32.862 -8.517 1.00 0.00 O ATOM 0 H GLY A 102 -1.449 -32.281 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.961 -30.213 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.416 -30.886 -6.891 1.00 0.00 H new TER 1493 GLY A 102