USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -35:sc= 0.148 USER MOD Set 1.2: A 94 SER OG : rot 105:sc= 0.487 USER MOD Set 2.1: A 41 TYR OH : rot -16:sc= 1.27 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.65 K(o=4.2,f=-5.6!) USER MOD Set 2.3: A 85 SER OG : rot -76:sc= 1.28 USER MOD Set 3.1: A 34 SER OG : rot -119:sc= 1.24 USER MOD Set 3.2: A 36 TYR OH : rot -125:sc= 0.393 USER MOD Set 3.3: A 86 GLN : amide:sc= -0.0463 K(o=1.6,f=0.28) USER MOD Single : A 1 THR N :NH3+ 148:sc= 0.0748 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -39:sc= 0.279 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.0447 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.49) USER MOD Single : A 43 SER OG : rot 36:sc= 0.321 USER MOD Single : A 45 SER OG : rot 81:sc= 1.12 USER MOD Single : A 46 SER OG : rot -168:sc= 0.636 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.691 K(o=0.69,f=-0.66) USER MOD Single : A 60 SER OG : rot -35:sc= 0.423 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -48:sc= 0.986 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.126 USER MOD Single : A 81 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.13) USER MOD Single : A 84 GLN : amide:sc= 0.946 K(o=0.95,f=-0.12) USER MOD Single : A 87 MET CE :methyl 167:sc=-0.00169 (180deg=-0.205) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 92 SER OG : rot -100:sc= 0.215 USER MOD Single : A 96 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 98 THR OG1 : rot -106:sc= 0.00545 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.837 -7.202 -0.888 1.00 0.00 N ATOM 2 CA THR A 1 -17.944 -6.145 -1.358 1.00 0.00 C ATOM 3 C THR A 1 -16.518 -6.565 -1.005 1.00 0.00 C ATOM 4 O THR A 1 -16.296 -7.132 0.065 1.00 0.00 O ATOM 5 CB THR A 1 -18.407 -4.774 -0.837 1.00 0.00 C ATOM 6 OG1 THR A 1 -17.753 -3.748 -1.554 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.254 -4.568 0.675 1.00 0.00 C ATOM 0 H1 THR A 1 -19.746 -6.786 -0.602 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.995 -7.888 -1.653 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.406 -7.684 -0.074 1.00 0.00 H new ATOM 0 HA THR A 1 -17.970 -6.015 -2.440 1.00 0.00 H new ATOM 0 HB THR A 1 -19.482 -4.736 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.051 -2.876 -1.222 1.00 0.00 H new ATOM 0 HG21 THR A 1 -18.607 -3.573 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 1 -18.842 -5.317 1.206 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.204 -4.668 0.951 1.00 0.00 H new ATOM 16 N ALA A 2 -15.599 -6.430 -1.958 1.00 0.00 N ATOM 17 CA ALA A 2 -14.565 -7.426 -2.201 1.00 0.00 C ATOM 18 C ALA A 2 -13.221 -6.755 -2.483 1.00 0.00 C ATOM 19 O ALA A 2 -13.188 -5.582 -2.873 1.00 0.00 O ATOM 20 CB ALA A 2 -15.000 -8.288 -3.394 1.00 0.00 C ATOM 0 H ALA A 2 -15.552 -5.625 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.438 -8.050 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.239 -9.042 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.945 -8.779 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.125 -7.656 -4.273 1.00 0.00 H new ATOM 26 N PRO A 3 -12.101 -7.457 -2.261 1.00 0.00 N ATOM 27 CA PRO A 3 -10.787 -6.937 -2.588 1.00 0.00 C ATOM 28 C PRO A 3 -10.536 -6.900 -4.104 1.00 0.00 C ATOM 29 O PRO A 3 -11.355 -7.387 -4.892 1.00 0.00 O ATOM 30 CB PRO A 3 -9.813 -7.878 -1.878 1.00 0.00 C ATOM 31 CG PRO A 3 -10.542 -9.217 -1.897 1.00 0.00 C ATOM 32 CD PRO A 3 -11.995 -8.799 -1.698 1.00 0.00 C ATOM 0 HA PRO A 3 -10.672 -5.902 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.856 -7.933 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.604 -7.548 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.396 -9.746 -2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.197 -9.879 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.673 -9.489 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.262 -8.802 -0.641 1.00 0.00 H new ATOM 40 N ILE A 4 -9.393 -6.341 -4.510 1.00 0.00 N ATOM 41 CA ILE A 4 -8.906 -6.327 -5.884 1.00 0.00 C ATOM 42 C ILE A 4 -7.714 -7.281 -5.921 1.00 0.00 C ATOM 43 O ILE A 4 -6.850 -7.244 -5.042 1.00 0.00 O ATOM 44 CB ILE A 4 -8.466 -4.917 -6.355 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.591 -3.867 -6.261 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.972 -4.959 -7.814 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.545 -3.076 -4.953 1.00 0.00 C ATOM 0 H ILE A 4 -8.761 -5.869 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.707 -6.629 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.663 -4.621 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.512 -3.178 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.557 -4.365 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.668 -3.959 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.122 -5.637 -7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.776 -5.311 -8.460 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.358 -2.350 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.653 -3.759 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.591 -2.554 -4.877 1.00 0.00 H new ATOM 59 N ALA A 5 -7.668 -8.149 -6.925 1.00 0.00 N ATOM 60 CA ALA A 5 -6.528 -9.012 -7.162 1.00 0.00 C ATOM 61 C ALA A 5 -5.587 -8.115 -7.957 1.00 0.00 C ATOM 62 O ALA A 5 -5.932 -7.745 -9.082 1.00 0.00 O ATOM 63 CB ALA A 5 -6.964 -10.246 -7.964 1.00 0.00 C ATOM 0 H ALA A 5 -8.425 -8.271 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.062 -9.403 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.102 -10.890 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.720 -10.796 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.380 -9.930 -8.921 1.00 0.00 H new ATOM 69 N ILE A 6 -4.476 -7.669 -7.370 1.00 0.00 N ATOM 70 CA ILE A 6 -3.494 -6.883 -8.109 1.00 0.00 C ATOM 71 C ILE A 6 -2.381 -7.846 -8.520 1.00 0.00 C ATOM 72 O ILE A 6 -2.138 -8.845 -7.847 1.00 0.00 O ATOM 73 CB ILE A 6 -3.086 -5.615 -7.315 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.702 -5.759 -5.826 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.276 -4.641 -7.346 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.290 -6.277 -5.587 1.00 0.00 C ATOM 0 H ILE A 6 -4.237 -7.838 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.885 -6.451 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.173 -5.293 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.807 -4.788 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.410 -6.434 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.020 -3.736 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.508 -4.383 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.144 -5.113 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.105 -6.347 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.183 -7.263 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.570 -5.592 -6.035 1.00 0.00 H new ATOM 88 N THR A 7 -1.672 -7.561 -9.604 1.00 0.00 N ATOM 89 CA THR A 7 -0.673 -8.459 -10.190 1.00 0.00 C ATOM 90 C THR A 7 0.733 -8.181 -9.630 1.00 0.00 C ATOM 91 O THR A 7 1.732 -8.404 -10.302 1.00 0.00 O ATOM 92 CB THR A 7 -0.841 -8.393 -11.728 1.00 0.00 C ATOM 93 OG1 THR A 7 -0.001 -9.279 -12.434 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.616 -6.993 -12.307 1.00 0.00 C ATOM 0 H THR A 7 -1.773 -6.684 -10.114 1.00 0.00 H new ATOM 0 HA THR A 7 -0.827 -9.500 -9.904 1.00 0.00 H new ATOM 0 HB THR A 7 -1.880 -8.690 -11.868 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.880 -9.305 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.750 -7.021 -13.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.334 -6.299 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.396 -6.662 -12.075 1.00 0.00 H new ATOM 102 N CYS A 8 0.816 -7.633 -8.411 1.00 0.00 N ATOM 103 CA CYS A 8 2.025 -7.206 -7.697 1.00 0.00 C ATOM 104 C CYS A 8 3.012 -6.334 -8.511 1.00 0.00 C ATOM 105 O CYS A 8 4.067 -5.953 -8.009 1.00 0.00 O ATOM 106 CB CYS A 8 2.690 -8.464 -7.127 1.00 0.00 C ATOM 107 SG CYS A 8 1.805 -9.297 -5.771 1.00 0.00 S ATOM 0 H CYS A 8 -0.024 -7.464 -7.857 1.00 0.00 H new ATOM 0 HA CYS A 8 1.718 -6.526 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.824 -9.179 -7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.685 -8.195 -6.772 1.00 0.00 H new ATOM 112 N PHE A 9 2.593 -5.823 -9.666 1.00 0.00 N ATOM 113 CA PHE A 9 3.305 -4.872 -10.525 1.00 0.00 C ATOM 114 C PHE A 9 2.653 -3.488 -10.365 1.00 0.00 C ATOM 115 O PHE A 9 3.201 -2.451 -10.731 1.00 0.00 O ATOM 116 CB PHE A 9 3.181 -5.383 -11.969 1.00 0.00 C ATOM 117 CG PHE A 9 4.203 -4.873 -12.965 1.00 0.00 C ATOM 118 CD1 PHE A 9 5.546 -5.282 -12.859 1.00 0.00 C ATOM 119 CD2 PHE A 9 3.801 -4.095 -14.068 1.00 0.00 C ATOM 120 CE1 PHE A 9 6.473 -4.932 -13.855 1.00 0.00 C ATOM 121 CE2 PHE A 9 4.732 -3.738 -15.059 1.00 0.00 C ATOM 122 CZ PHE A 9 6.066 -4.167 -14.961 1.00 0.00 C ATOM 0 H PHE A 9 1.686 -6.078 -10.056 1.00 0.00 H new ATOM 0 HA PHE A 9 4.359 -4.785 -10.259 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.239 -6.471 -11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.189 -5.123 -12.337 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.865 -5.867 -12.009 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.774 -3.772 -14.153 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.501 -5.252 -13.770 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.421 -3.133 -15.898 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.776 -3.910 -15.733 1.00 0.00 H new ATOM 132 N THR A 10 1.440 -3.494 -9.816 1.00 0.00 N ATOM 133 CA THR A 10 0.534 -2.402 -9.549 1.00 0.00 C ATOM 134 C THR A 10 1.140 -1.469 -8.490 1.00 0.00 C ATOM 135 O THR A 10 1.685 -1.920 -7.478 1.00 0.00 O ATOM 136 CB THR A 10 -0.774 -3.075 -9.090 1.00 0.00 C ATOM 137 OG1 THR A 10 -1.086 -4.185 -9.927 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.974 -2.138 -9.090 1.00 0.00 C ATOM 0 H THR A 10 1.029 -4.378 -9.515 1.00 0.00 H new ATOM 0 HA THR A 10 0.347 -1.769 -10.416 1.00 0.00 H new ATOM 0 HB THR A 10 -0.590 -3.392 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.038 -4.402 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.859 -2.680 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.784 -1.303 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.140 -1.759 -10.098 1.00 0.00 H new ATOM 146 N ARG A 11 1.077 -0.164 -8.737 1.00 0.00 N ATOM 147 CA ARG A 11 1.542 0.916 -7.879 1.00 0.00 C ATOM 148 C ARG A 11 0.355 1.632 -7.243 1.00 0.00 C ATOM 149 O ARG A 11 -0.789 1.437 -7.654 1.00 0.00 O ATOM 150 CB ARG A 11 2.393 1.839 -8.774 1.00 0.00 C ATOM 151 CG ARG A 11 3.695 1.115 -9.119 1.00 0.00 C ATOM 152 CD ARG A 11 4.672 2.008 -9.878 1.00 0.00 C ATOM 153 NE ARG A 11 4.456 1.875 -11.316 1.00 0.00 N ATOM 154 CZ ARG A 11 5.021 0.953 -12.113 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.793 -0.010 -11.619 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.796 0.993 -13.419 1.00 0.00 N ATOM 0 H ARG A 11 0.671 0.189 -9.603 1.00 0.00 H new ATOM 0 HA ARG A 11 2.146 0.555 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.848 2.092 -9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.606 2.776 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.166 0.763 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.470 0.234 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.538 3.047 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.697 1.734 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 11 3.820 2.541 -11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.967 -0.060 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.211 -0.699 -12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.198 1.720 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.221 0.297 -14.031 1.00 0.00 H new ATOM 170 N GLY A 12 0.615 2.528 -6.291 1.00 0.00 N ATOM 171 CA GLY A 12 -0.416 3.381 -5.698 1.00 0.00 C ATOM 172 C GLY A 12 -0.990 4.373 -6.720 1.00 0.00 C ATOM 173 O GLY A 12 -1.909 5.126 -6.407 1.00 0.00 O ATOM 0 H GLY A 12 1.548 2.683 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.220 2.759 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.006 3.930 -4.856 1.00 0.00 H new ATOM 177 N LEU A 13 -0.427 4.413 -7.932 1.00 0.00 N ATOM 178 CA LEU A 13 -0.889 5.176 -9.079 1.00 0.00 C ATOM 179 C LEU A 13 -2.187 4.553 -9.605 1.00 0.00 C ATOM 180 O LEU A 13 -3.107 5.272 -9.994 1.00 0.00 O ATOM 181 CB LEU A 13 0.172 5.110 -10.199 1.00 0.00 C ATOM 182 CG LEU A 13 1.583 5.621 -9.843 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.589 5.240 -10.932 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.630 7.139 -9.654 1.00 0.00 C ATOM 0 H LEU A 13 0.415 3.878 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.057 6.211 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.257 4.074 -10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.194 5.685 -11.050 1.00 0.00 H new ATOM 0 HG LEU A 13 1.845 5.146 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.577 5.611 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.623 4.155 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.284 5.683 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.647 7.443 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.320 7.630 -10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.957 7.426 -8.846 1.00 0.00 H new ATOM 196 N ASP A 14 -2.260 3.217 -9.599 1.00 0.00 N ATOM 197 CA ASP A 14 -3.336 2.417 -10.173 1.00 0.00 C ATOM 198 C ASP A 14 -4.613 2.462 -9.351 1.00 0.00 C ATOM 199 O ASP A 14 -5.701 2.585 -9.923 1.00 0.00 O ATOM 200 CB ASP A 14 -2.915 0.948 -10.251 1.00 0.00 C ATOM 201 CG ASP A 14 -1.799 0.694 -11.251 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.120 0.421 -12.431 1.00 0.00 O ATOM 203 OD2 ASP A 14 -0.613 0.731 -10.855 1.00 0.00 O ATOM 0 H ASP A 14 -1.534 2.642 -9.172 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.528 2.843 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.591 0.617 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.780 0.343 -10.522 1.00 0.00 H new ATOM 208 N ILE A 15 -4.499 2.338 -8.028 1.00 0.00 N ATOM 209 CA ILE A 15 -5.635 2.236 -7.120 1.00 0.00 C ATOM 210 C ILE A 15 -5.507 3.396 -6.142 1.00 0.00 C ATOM 211 O ILE A 15 -4.847 3.305 -5.111 1.00 0.00 O ATOM 212 CB ILE A 15 -5.711 0.831 -6.473 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.797 -0.248 -7.581 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.921 0.718 -5.522 1.00 0.00 C ATOM 215 CD1 ILE A 15 -6.046 -1.670 -7.075 1.00 0.00 C ATOM 0 H ILE A 15 -3.597 2.305 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.592 2.325 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.808 0.674 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.597 0.022 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.868 -0.238 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.947 -0.280 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.831 1.461 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.840 0.893 -6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.091 -2.355 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.235 -1.967 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.990 -1.703 -6.532 1.00 0.00 H new ATOM 227 N ARG A 16 -6.178 4.494 -6.479 1.00 0.00 N ATOM 228 CA ARG A 16 -6.264 5.723 -5.698 1.00 0.00 C ATOM 229 C ARG A 16 -7.684 5.817 -5.142 1.00 0.00 C ATOM 230 O ARG A 16 -8.286 6.890 -5.105 1.00 0.00 O ATOM 231 CB ARG A 16 -5.873 6.927 -6.580 1.00 0.00 C ATOM 232 CG ARG A 16 -4.427 6.828 -7.099 1.00 0.00 C ATOM 233 CD ARG A 16 -4.111 7.863 -8.182 1.00 0.00 C ATOM 234 NE ARG A 16 -4.168 9.232 -7.658 1.00 0.00 N ATOM 235 CZ ARG A 16 -3.907 10.357 -8.325 1.00 0.00 C ATOM 236 NH1 ARG A 16 -3.618 10.339 -9.622 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.944 11.504 -7.670 1.00 0.00 N ATOM 0 H ARG A 16 -6.704 4.553 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.568 5.724 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.557 6.991 -7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.988 7.847 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.737 6.960 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.257 5.828 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.119 7.671 -8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.820 7.758 -9.003 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.436 9.334 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.593 9.453 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.422 11.211 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.169 11.516 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.748 12.377 -8.159 1.00 0.00 H new ATOM 251 N LYS A 17 -8.263 4.678 -4.752 1.00 0.00 N ATOM 252 CA LYS A 17 -9.573 4.639 -4.110 1.00 0.00 C ATOM 253 C LYS A 17 -9.371 5.161 -2.692 1.00 0.00 C ATOM 254 O LYS A 17 -8.249 5.142 -2.185 1.00 0.00 O ATOM 255 CB LYS A 17 -10.106 3.193 -4.087 1.00 0.00 C ATOM 256 CG LYS A 17 -10.233 2.492 -5.457 1.00 0.00 C ATOM 257 CD LYS A 17 -11.282 3.101 -6.399 1.00 0.00 C ATOM 258 CE LYS A 17 -10.722 4.295 -7.185 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.792 5.174 -7.690 1.00 0.00 N ATOM 0 H LYS A 17 -7.835 3.760 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.302 5.245 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.448 2.595 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.087 3.197 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.263 2.516 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.480 1.443 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.630 2.339 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.148 3.422 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.053 4.869 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.127 3.931 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.371 5.967 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.416 4.633 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.345 5.543 -6.890 1.00 0.00 H new ATOM 273 N GLU A 18 -10.448 5.604 -2.040 1.00 0.00 N ATOM 274 CA GLU A 18 -10.346 6.216 -0.716 1.00 0.00 C ATOM 275 C GLU A 18 -9.656 5.234 0.248 1.00 0.00 C ATOM 276 O GLU A 18 -8.763 5.610 1.014 1.00 0.00 O ATOM 277 CB GLU A 18 -11.729 6.720 -0.290 1.00 0.00 C ATOM 278 CG GLU A 18 -11.653 7.703 0.888 1.00 0.00 C ATOM 279 CD GLU A 18 -12.799 8.721 0.924 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.137 9.307 -0.135 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.317 9.016 2.027 1.00 0.00 O ATOM 0 H GLU A 18 -11.398 5.550 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.709 7.100 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.212 7.207 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.353 5.871 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.653 7.138 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.705 8.239 0.840 1.00 0.00 H new ATOM 288 N LYS A 19 -10.019 3.958 0.138 1.00 0.00 N ATOM 289 CA LYS A 19 -9.451 2.794 0.804 1.00 0.00 C ATOM 290 C LYS A 19 -9.834 1.590 -0.054 1.00 0.00 C ATOM 291 O LYS A 19 -10.822 1.672 -0.791 1.00 0.00 O ATOM 292 CB LYS A 19 -9.917 2.668 2.261 1.00 0.00 C ATOM 293 CG LYS A 19 -11.423 2.416 2.438 1.00 0.00 C ATOM 294 CD LYS A 19 -11.784 2.539 3.919 1.00 0.00 C ATOM 295 CE LYS A 19 -13.281 2.342 4.155 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.711 3.038 5.381 1.00 0.00 N ATOM 0 H LYS A 19 -10.788 3.691 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.367 2.876 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.369 1.853 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.651 3.582 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.995 3.135 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.683 1.424 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.225 1.799 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.484 3.520 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.842 2.720 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.504 1.278 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.731 2.892 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.189 2.658 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.517 4.056 5.289 1.00 0.00 H new ATOM 310 N ALA A 20 -9.089 0.496 -0.001 1.00 0.00 N ATOM 311 CA ALA A 20 -9.379 -0.697 -0.778 1.00 0.00 C ATOM 312 C ALA A 20 -8.673 -1.883 -0.148 1.00 0.00 C ATOM 313 O ALA A 20 -7.559 -1.748 0.351 1.00 0.00 O ATOM 314 CB ALA A 20 -8.864 -0.526 -2.214 1.00 0.00 C ATOM 0 H ALA A 20 -8.260 0.412 0.587 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.457 -0.859 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.086 -1.425 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.354 0.331 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.786 -0.362 -2.197 1.00 0.00 H new ATOM 320 N ASP A 21 -9.288 -3.054 -0.221 1.00 0.00 N ATOM 321 CA ASP A 21 -8.670 -4.299 0.213 1.00 0.00 C ATOM 322 C ASP A 21 -8.041 -4.850 -1.066 1.00 0.00 C ATOM 323 O ASP A 21 -8.675 -4.780 -2.126 1.00 0.00 O ATOM 324 CB ASP A 21 -9.711 -5.308 0.721 1.00 0.00 C ATOM 325 CG ASP A 21 -10.392 -4.944 2.033 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.745 -5.012 3.097 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.618 -4.679 2.010 1.00 0.00 O ATOM 0 H ASP A 21 -10.234 -3.168 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.968 -4.134 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.477 -5.429 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.225 -6.276 0.841 1.00 0.00 H new ATOM 332 N VAL A 22 -6.814 -5.363 -1.015 1.00 0.00 N ATOM 333 CA VAL A 22 -6.153 -5.962 -2.178 1.00 0.00 C ATOM 334 C VAL A 22 -5.488 -7.293 -1.803 1.00 0.00 C ATOM 335 O VAL A 22 -5.248 -7.554 -0.626 1.00 0.00 O ATOM 336 CB VAL A 22 -5.167 -4.962 -2.838 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.844 -3.641 -3.240 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.969 -4.617 -1.943 1.00 0.00 C ATOM 0 H VAL A 22 -6.247 -5.376 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.910 -6.190 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.816 -5.485 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.108 -2.979 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.642 -3.844 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.262 -3.162 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.318 -3.914 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.325 -4.166 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.412 -5.526 -1.714 1.00 0.00 H new ATOM 348 N LEU A 23 -5.181 -8.129 -2.796 1.00 0.00 N ATOM 349 CA LEU A 23 -4.433 -9.383 -2.677 1.00 0.00 C ATOM 350 C LEU A 23 -3.193 -9.201 -3.536 1.00 0.00 C ATOM 351 O LEU A 23 -3.348 -8.829 -4.704 1.00 0.00 O ATOM 352 CB LEU A 23 -5.215 -10.598 -3.230 1.00 0.00 C ATOM 353 CG LEU A 23 -6.280 -11.260 -2.339 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.653 -12.083 -1.221 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.292 -10.281 -1.767 1.00 0.00 C ATOM 0 H LEU A 23 -5.463 -7.940 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.224 -9.582 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.704 -10.284 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.488 -11.364 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.828 -11.928 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.440 -12.533 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.032 -12.869 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.038 -11.437 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.011 -10.820 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.776 -9.538 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.816 -9.782 -2.582 1.00 0.00 H new ATOM 367 N CYS A 24 -1.999 -9.451 -2.990 1.00 0.00 N ATOM 368 CA CYS A 24 -0.772 -9.431 -3.776 1.00 0.00 C ATOM 369 C CYS A 24 -0.362 -10.914 -3.831 1.00 0.00 C ATOM 370 O CYS A 24 0.080 -11.432 -2.801 1.00 0.00 O ATOM 371 CB CYS A 24 0.339 -8.583 -3.114 1.00 0.00 C ATOM 372 SG CYS A 24 1.635 -7.973 -4.228 1.00 0.00 S ATOM 0 H CYS A 24 -1.861 -9.670 -2.003 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.922 -8.980 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.126 -7.727 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.809 -9.180 -2.333 1.00 0.00 H new ATOM 377 N PRO A 25 -0.605 -11.653 -4.925 1.00 0.00 N ATOM 378 CA PRO A 25 -0.144 -13.025 -5.073 1.00 0.00 C ATOM 379 C PRO A 25 1.282 -13.090 -5.610 1.00 0.00 C ATOM 380 O PRO A 25 1.717 -12.246 -6.395 1.00 0.00 O ATOM 381 CB PRO A 25 -1.112 -13.663 -6.063 1.00 0.00 C ATOM 382 CG PRO A 25 -1.490 -12.491 -6.970 1.00 0.00 C ATOM 383 CD PRO A 25 -1.412 -11.266 -6.064 1.00 0.00 C ATOM 0 HA PRO A 25 -0.126 -13.540 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.643 -14.473 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.984 -14.084 -5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.805 -12.405 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.491 -12.616 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.964 -10.422 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.407 -10.953 -5.747 1.00 0.00 H new ATOM 391 N GLY A 26 1.978 -14.170 -5.284 1.00 0.00 N ATOM 392 CA GLY A 26 3.383 -14.342 -5.631 1.00 0.00 C ATOM 393 C GLY A 26 4.293 -13.674 -4.611 1.00 0.00 C ATOM 394 O GLY A 26 3.873 -12.821 -3.828 1.00 0.00 O ATOM 0 H GLY A 26 1.582 -14.956 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.617 -15.405 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.570 -13.920 -6.619 1.00 0.00 H new ATOM 398 N GLY A 27 5.571 -14.044 -4.646 1.00 0.00 N ATOM 399 CA GLY A 27 6.552 -13.614 -3.670 1.00 0.00 C ATOM 400 C GLY A 27 7.012 -12.177 -3.809 1.00 0.00 C ATOM 401 O GLY A 27 7.611 -11.696 -2.855 1.00 0.00 O ATOM 0 H GLY A 27 5.953 -14.659 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.133 -13.750 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.422 -14.266 -3.742 1.00 0.00 H new ATOM 405 N CYS A 28 6.770 -11.529 -4.953 1.00 0.00 N ATOM 406 CA CYS A 28 7.167 -10.164 -5.299 1.00 0.00 C ATOM 407 C CYS A 28 8.571 -9.824 -4.743 1.00 0.00 C ATOM 408 O CYS A 28 8.683 -9.178 -3.696 1.00 0.00 O ATOM 409 CB CYS A 28 6.064 -9.188 -4.868 1.00 0.00 C ATOM 410 SG CYS A 28 6.072 -7.586 -5.713 1.00 0.00 S ATOM 0 H CYS A 28 6.256 -11.977 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 28 7.269 -10.069 -6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.097 -9.663 -5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.154 -9.015 -3.796 1.00 0.00 H new ATOM 415 N PRO A 29 9.643 -10.335 -5.378 1.00 0.00 N ATOM 416 CA PRO A 29 11.019 -10.189 -4.902 1.00 0.00 C ATOM 417 C PRO A 29 11.473 -8.730 -4.913 1.00 0.00 C ATOM 418 O PRO A 29 10.754 -7.866 -5.413 1.00 0.00 O ATOM 419 CB PRO A 29 11.873 -11.063 -5.826 1.00 0.00 C ATOM 420 CG PRO A 29 11.045 -11.190 -7.099 1.00 0.00 C ATOM 421 CD PRO A 29 9.604 -11.088 -6.621 1.00 0.00 C ATOM 0 HA PRO A 29 11.114 -10.505 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.841 -10.603 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.070 -12.038 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.285 -10.400 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.231 -12.139 -7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.983 -10.585 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.175 -12.078 -6.464 1.00 0.00 H new ATOM 429 N LEU A 30 12.678 -8.447 -4.397 1.00 0.00 N ATOM 430 CA LEU A 30 13.278 -7.108 -4.392 1.00 0.00 C ATOM 431 C LEU A 30 13.784 -6.812 -5.815 1.00 0.00 C ATOM 432 O LEU A 30 14.983 -6.662 -6.058 1.00 0.00 O ATOM 433 CB LEU A 30 14.418 -7.033 -3.347 1.00 0.00 C ATOM 434 CG LEU A 30 14.049 -7.381 -1.890 1.00 0.00 C ATOM 435 CD1 LEU A 30 15.305 -7.384 -1.017 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.054 -6.396 -1.274 1.00 0.00 C ATOM 0 H LEU A 30 13.271 -9.155 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 30 12.543 -6.355 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.215 -7.704 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.827 -6.023 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 30 13.584 -8.366 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.034 -7.631 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.009 -8.126 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.768 -6.398 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.834 -6.694 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.485 -5.395 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.133 -6.396 -1.857 1.00 0.00 H new ATOM 448 N GLU A 31 12.851 -6.754 -6.759 1.00 0.00 N ATOM 449 CA GLU A 31 13.039 -6.620 -8.194 1.00 0.00 C ATOM 450 C GLU A 31 12.928 -5.162 -8.620 1.00 0.00 C ATOM 451 O GLU A 31 13.853 -4.632 -9.229 1.00 0.00 O ATOM 452 CB GLU A 31 11.973 -7.509 -8.849 1.00 0.00 C ATOM 453 CG GLU A 31 12.070 -7.644 -10.369 1.00 0.00 C ATOM 454 CD GLU A 31 10.984 -8.597 -10.873 1.00 0.00 C ATOM 455 OE1 GLU A 31 11.125 -9.826 -10.663 1.00 0.00 O ATOM 456 OE2 GLU A 31 9.978 -8.120 -11.453 1.00 0.00 O ATOM 0 H GLU A 31 11.862 -6.804 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 31 14.034 -6.937 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.035 -8.504 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.990 -7.111 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.956 -6.667 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.055 -8.019 -10.648 1.00 0.00 H new ATOM 463 N GLU A 32 11.815 -4.506 -8.281 1.00 0.00 N ATOM 464 CA GLU A 32 11.621 -3.095 -8.562 1.00 0.00 C ATOM 465 C GLU A 32 10.906 -2.466 -7.370 1.00 0.00 C ATOM 466 O GLU A 32 9.676 -2.359 -7.389 1.00 0.00 O ATOM 467 CB GLU A 32 10.712 -2.919 -9.800 1.00 0.00 C ATOM 468 CG GLU A 32 11.226 -3.350 -11.173 1.00 0.00 C ATOM 469 CD GLU A 32 10.045 -3.291 -12.147 1.00 0.00 C ATOM 470 OE1 GLU A 32 9.655 -2.166 -12.550 1.00 0.00 O ATOM 471 OE2 GLU A 32 9.451 -4.359 -12.422 1.00 0.00 O ATOM 0 H GLU A 32 11.027 -4.945 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 32 12.589 -2.628 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.789 -3.467 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.449 -1.863 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.030 -2.693 -11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.637 -4.359 -11.129 1.00 0.00 H new ATOM 478 N PHE A 33 11.625 -1.986 -6.351 1.00 0.00 N ATOM 479 CA PHE A 33 10.982 -1.256 -5.276 1.00 0.00 C ATOM 480 C PHE A 33 11.751 0.030 -5.076 1.00 0.00 C ATOM 481 O PHE A 33 12.882 0.057 -4.592 1.00 0.00 O ATOM 482 CB PHE A 33 10.910 -2.073 -3.975 1.00 0.00 C ATOM 483 CG PHE A 33 10.124 -3.369 -4.044 1.00 0.00 C ATOM 484 CD1 PHE A 33 8.917 -3.447 -4.763 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.615 -4.517 -3.398 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.276 -4.681 -4.932 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.904 -5.724 -3.466 1.00 0.00 C ATOM 488 CZ PHE A 33 8.754 -5.812 -4.257 1.00 0.00 C ATOM 0 H PHE A 33 12.635 -2.091 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 33 9.947 -1.046 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.927 -2.305 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.470 -1.446 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.483 -2.553 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.543 -4.469 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.416 -4.760 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.244 -6.584 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.233 -6.754 -4.348 1.00 0.00 H new ATOM 498 N SER A 34 11.059 1.110 -5.403 1.00 0.00 N ATOM 499 CA SER A 34 11.455 2.474 -5.200 1.00 0.00 C ATOM 500 C SER A 34 10.235 2.973 -4.451 1.00 0.00 C ATOM 501 O SER A 34 9.122 2.951 -4.988 1.00 0.00 O ATOM 502 CB SER A 34 11.726 3.183 -6.531 1.00 0.00 C ATOM 503 OG SER A 34 12.316 4.445 -6.289 1.00 0.00 O ATOM 0 H SER A 34 10.144 1.040 -5.848 1.00 0.00 H new ATOM 0 HA SER A 34 12.391 2.638 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.386 2.575 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.795 3.306 -7.084 1.00 0.00 H new ATOM 0 HG SER A 34 11.733 5.151 -6.639 1.00 0.00 H new ATOM 509 N VAL A 35 10.409 3.331 -3.190 1.00 0.00 N ATOM 510 CA VAL A 35 9.303 3.711 -2.334 1.00 0.00 C ATOM 511 C VAL A 35 9.532 5.187 -2.054 1.00 0.00 C ATOM 512 O VAL A 35 10.665 5.678 -2.088 1.00 0.00 O ATOM 513 CB VAL A 35 9.246 2.757 -1.124 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.173 3.151 -0.109 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.910 1.333 -1.601 1.00 0.00 C ATOM 0 H VAL A 35 11.320 3.366 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 35 8.307 3.608 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 35 10.225 2.811 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.180 2.444 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.378 4.153 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.195 3.137 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.871 0.662 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.943 1.336 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.678 0.991 -2.294 1.00 0.00 H new ATOM 525 N TYR A 36 8.454 5.921 -1.823 1.00 0.00 N ATOM 526 CA TYR A 36 8.534 7.353 -1.685 1.00 0.00 C ATOM 527 C TYR A 36 7.820 7.762 -0.411 1.00 0.00 C ATOM 528 O TYR A 36 6.593 7.816 -0.386 1.00 0.00 O ATOM 529 CB TYR A 36 7.988 8.006 -2.952 1.00 0.00 C ATOM 530 CG TYR A 36 8.812 7.781 -4.207 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.723 6.565 -4.911 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.689 8.787 -4.656 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.564 6.317 -6.008 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.529 8.548 -5.757 1.00 0.00 C ATOM 535 CZ TYR A 36 10.500 7.295 -6.410 1.00 0.00 C ATOM 536 OH TYR A 36 11.419 7.007 -7.372 1.00 0.00 O ATOM 0 H TYR A 36 7.513 5.539 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 36 9.563 7.698 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.980 7.632 -3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.904 9.079 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.004 5.819 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.716 9.743 -4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.495 5.381 -6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.197 9.322 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 36 12.319 7.187 -7.029 1.00 0.00 H new ATOM 546 N GLY A 37 8.602 8.017 0.635 1.00 0.00 N ATOM 547 CA GLY A 37 8.145 8.342 1.968 1.00 0.00 C ATOM 548 C GLY A 37 7.950 7.065 2.772 1.00 0.00 C ATOM 549 O GLY A 37 7.690 5.999 2.217 1.00 0.00 O ATOM 0 H GLY A 37 9.619 8.000 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.870 8.987 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.208 8.896 1.916 1.00 0.00 H new ATOM 553 N ASN A 38 8.155 7.162 4.082 1.00 0.00 N ATOM 554 CA ASN A 38 7.890 6.091 5.031 1.00 0.00 C ATOM 555 C ASN A 38 6.503 6.354 5.619 1.00 0.00 C ATOM 556 O ASN A 38 6.174 7.521 5.862 1.00 0.00 O ATOM 557 CB ASN A 38 8.982 6.081 6.106 1.00 0.00 C ATOM 558 CG ASN A 38 8.749 7.129 7.186 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.905 8.322 6.938 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.337 6.694 8.363 1.00 0.00 N ATOM 0 H ASN A 38 8.518 8.008 4.521 1.00 0.00 H new ATOM 0 HA ASN A 38 7.903 5.109 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.025 5.094 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.950 6.257 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.135 7.358 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.221 5.694 8.525 1.00 0.00 H new ATOM 567 N ILE A 39 5.716 5.308 5.899 1.00 0.00 N ATOM 568 CA ILE A 39 4.316 5.364 6.346 1.00 0.00 C ATOM 569 C ILE A 39 3.412 6.013 5.288 1.00 0.00 C ATOM 570 O ILE A 39 2.468 5.366 4.832 1.00 0.00 O ATOM 571 CB ILE A 39 4.186 5.949 7.782 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.490 4.876 8.848 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.820 6.599 8.066 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.334 3.893 9.086 1.00 0.00 C ATOM 0 H ILE A 39 6.055 4.349 5.816 1.00 0.00 H new ATOM 0 HA ILE A 39 3.941 4.345 6.440 1.00 0.00 H new ATOM 0 HB ILE A 39 4.929 6.744 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.374 4.316 8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.734 5.370 9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.805 6.984 9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.655 7.419 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.032 5.856 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.623 3.169 9.848 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.453 4.441 9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.104 3.370 8.158 1.00 0.00 H new ATOM 586 N VAL A 40 3.645 7.279 4.945 1.00 0.00 N ATOM 587 CA VAL A 40 2.981 8.000 3.881 1.00 0.00 C ATOM 588 C VAL A 40 3.768 7.650 2.627 1.00 0.00 C ATOM 589 O VAL A 40 4.783 8.275 2.318 1.00 0.00 O ATOM 590 CB VAL A 40 2.974 9.512 4.164 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.317 10.290 3.018 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.192 9.809 5.444 1.00 0.00 C ATOM 0 H VAL A 40 4.337 7.850 5.430 1.00 0.00 H new ATOM 0 HA VAL A 40 1.931 7.725 3.778 1.00 0.00 H new ATOM 0 HB VAL A 40 4.013 9.824 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.328 11.355 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.869 10.113 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.287 9.956 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.196 10.883 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.164 9.464 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.658 9.292 6.283 1.00 0.00 H new ATOM 602 N TYR A 41 3.293 6.632 1.930 1.00 0.00 N ATOM 603 CA TYR A 41 3.793 6.197 0.650 1.00 0.00 C ATOM 604 C TYR A 41 3.117 7.076 -0.397 1.00 0.00 C ATOM 605 O TYR A 41 1.893 7.067 -0.515 1.00 0.00 O ATOM 606 CB TYR A 41 3.472 4.701 0.499 1.00 0.00 C ATOM 607 CG TYR A 41 4.119 3.870 1.596 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.516 3.888 1.719 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.351 3.183 2.557 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.155 3.246 2.788 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.982 2.539 3.641 1.00 0.00 C ATOM 612 CZ TYR A 41 5.391 2.576 3.765 1.00 0.00 C ATOM 613 OH TYR A 41 6.005 2.033 4.852 1.00 0.00 O ATOM 0 H TYR A 41 2.513 6.065 2.262 1.00 0.00 H new ATOM 0 HA TYR A 41 4.872 6.300 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.392 4.557 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.818 4.351 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.108 4.405 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.276 3.150 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.232 3.264 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.389 2.017 4.377 1.00 0.00 H new ATOM 0 HH TYR A 41 6.968 1.966 4.684 1.00 0.00 H new ATOM 623 N ALA A 42 3.868 7.911 -1.114 1.00 0.00 N ATOM 624 CA ALA A 42 3.293 8.675 -2.215 1.00 0.00 C ATOM 625 C ALA A 42 2.826 7.702 -3.300 1.00 0.00 C ATOM 626 O ALA A 42 3.365 6.597 -3.412 1.00 0.00 O ATOM 627 CB ALA A 42 4.310 9.662 -2.774 1.00 0.00 C ATOM 0 H ALA A 42 4.862 8.073 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 42 2.441 9.251 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.861 10.222 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.617 10.353 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.181 9.119 -3.140 1.00 0.00 H new ATOM 633 N SER A 43 1.888 8.148 -4.138 1.00 0.00 N ATOM 634 CA SER A 43 1.204 7.369 -5.169 1.00 0.00 C ATOM 635 C SER A 43 2.159 6.517 -6.027 1.00 0.00 C ATOM 636 O SER A 43 1.834 5.380 -6.353 1.00 0.00 O ATOM 637 CB SER A 43 0.377 8.367 -6.001 1.00 0.00 C ATOM 638 OG SER A 43 -0.583 7.771 -6.849 1.00 0.00 O ATOM 0 H SER A 43 1.568 9.116 -4.113 1.00 0.00 H new ATOM 0 HA SER A 43 0.553 6.627 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.132 9.052 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.057 8.966 -6.607 1.00 0.00 H new ATOM 0 HG SER A 43 -0.961 6.980 -6.410 1.00 0.00 H new ATOM 644 N VAL A 44 3.352 7.013 -6.358 1.00 0.00 N ATOM 645 CA VAL A 44 4.338 6.316 -7.188 1.00 0.00 C ATOM 646 C VAL A 44 4.877 5.014 -6.550 1.00 0.00 C ATOM 647 O VAL A 44 5.416 4.160 -7.260 1.00 0.00 O ATOM 648 CB VAL A 44 5.432 7.346 -7.571 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.000 8.095 -6.351 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.573 6.758 -8.411 1.00 0.00 C ATOM 0 H VAL A 44 3.668 7.932 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 44 3.865 5.946 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 44 4.910 8.066 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.761 8.802 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.197 8.634 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.445 7.379 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.298 7.540 -8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.063 5.961 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.170 6.355 -9.340 1.00 0.00 H new ATOM 660 N SER A 45 4.730 4.829 -5.237 1.00 0.00 N ATOM 661 CA SER A 45 5.228 3.653 -4.536 1.00 0.00 C ATOM 662 C SER A 45 4.493 2.378 -4.977 1.00 0.00 C ATOM 663 O SER A 45 3.287 2.387 -5.238 1.00 0.00 O ATOM 664 CB SER A 45 5.086 3.850 -3.021 1.00 0.00 C ATOM 665 OG SER A 45 5.606 5.105 -2.611 1.00 0.00 O ATOM 0 H SER A 45 4.258 5.498 -4.629 1.00 0.00 H new ATOM 0 HA SER A 45 6.281 3.531 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.035 3.781 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.609 3.049 -2.498 1.00 0.00 H new ATOM 0 HG SER A 45 4.941 5.805 -2.779 1.00 0.00 H new ATOM 671 N SER A 46 5.232 1.273 -5.023 1.00 0.00 N ATOM 672 CA SER A 46 4.742 -0.072 -5.287 1.00 0.00 C ATOM 673 C SER A 46 3.775 -0.504 -4.178 1.00 0.00 C ATOM 674 O SER A 46 3.967 -0.122 -3.021 1.00 0.00 O ATOM 675 CB SER A 46 5.987 -0.962 -5.331 1.00 0.00 C ATOM 676 OG SER A 46 5.681 -2.328 -5.470 1.00 0.00 O ATOM 0 H SER A 46 6.240 1.295 -4.869 1.00 0.00 H new ATOM 0 HA SER A 46 4.187 -0.137 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.620 -0.651 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.564 -0.816 -4.418 1.00 0.00 H new ATOM 0 HG SER A 46 6.484 -2.862 -5.296 1.00 0.00 H new ATOM 682 N ILE A 47 2.760 -1.313 -4.503 1.00 0.00 N ATOM 683 CA ILE A 47 1.864 -1.890 -3.498 1.00 0.00 C ATOM 684 C ILE A 47 2.664 -2.950 -2.722 1.00 0.00 C ATOM 685 O ILE A 47 2.546 -3.022 -1.495 1.00 0.00 O ATOM 686 CB ILE A 47 0.555 -2.407 -4.151 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.233 -1.204 -4.729 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.323 -3.173 -3.143 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.541 -1.572 -5.441 1.00 0.00 C ATOM 0 H ILE A 47 2.539 -1.583 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 47 1.522 -1.143 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 47 0.821 -3.102 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.460 -0.513 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.409 -0.671 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.230 -3.518 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.229 -4.030 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.590 -2.513 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.021 -0.666 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.325 -2.236 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.207 -2.075 -4.741 1.00 0.00 H new ATOM 701 N CYS A 48 3.497 -3.753 -3.400 1.00 0.00 N ATOM 702 CA CYS A 48 4.400 -4.689 -2.740 1.00 0.00 C ATOM 703 C CYS A 48 5.345 -3.869 -1.875 1.00 0.00 C ATOM 704 O CYS A 48 5.405 -4.068 -0.665 1.00 0.00 O ATOM 705 CB CYS A 48 5.277 -5.453 -3.733 1.00 0.00 C ATOM 706 SG CYS A 48 4.502 -6.595 -4.868 1.00 0.00 S ATOM 0 H CYS A 48 3.559 -3.767 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 48 3.796 -5.404 -2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.821 -4.718 -4.326 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.017 -6.010 -3.158 1.00 0.00 H new ATOM 711 N GLY A 49 6.057 -2.928 -2.507 1.00 0.00 N ATOM 712 CA GLY A 49 7.093 -2.139 -1.874 1.00 0.00 C ATOM 713 C GLY A 49 6.591 -1.456 -0.613 1.00 0.00 C ATOM 714 O GLY A 49 7.267 -1.520 0.405 1.00 0.00 O ATOM 0 H GLY A 49 5.918 -2.698 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.939 -2.781 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.456 -1.387 -2.575 1.00 0.00 H new ATOM 718 N ALA A 50 5.409 -0.837 -0.656 1.00 0.00 N ATOM 719 CA ALA A 50 4.805 -0.206 0.505 1.00 0.00 C ATOM 720 C ALA A 50 4.533 -1.225 1.615 1.00 0.00 C ATOM 721 O ALA A 50 4.887 -0.968 2.760 1.00 0.00 O ATOM 722 CB ALA A 50 3.517 0.507 0.086 1.00 0.00 C ATOM 0 H ALA A 50 4.847 -0.763 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 50 5.503 0.528 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.063 0.981 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.748 1.266 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.821 -0.218 -0.337 1.00 0.00 H new ATOM 728 N ALA A 51 3.882 -2.355 1.314 1.00 0.00 N ATOM 729 CA ALA A 51 3.480 -3.325 2.335 1.00 0.00 C ATOM 730 C ALA A 51 4.695 -3.993 2.980 1.00 0.00 C ATOM 731 O ALA A 51 4.716 -4.196 4.196 1.00 0.00 O ATOM 732 CB ALA A 51 2.548 -4.367 1.715 1.00 0.00 C ATOM 0 H ALA A 51 3.622 -2.620 0.364 1.00 0.00 H new ATOM 0 HA ALA A 51 2.947 -2.796 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.250 -5.088 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.662 -3.872 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.067 -4.885 0.908 1.00 0.00 H new ATOM 738 N VAL A 52 5.691 -4.341 2.168 1.00 0.00 N ATOM 739 CA VAL A 52 6.949 -4.894 2.630 1.00 0.00 C ATOM 740 C VAL A 52 7.706 -3.828 3.440 1.00 0.00 C ATOM 741 O VAL A 52 8.110 -4.111 4.560 1.00 0.00 O ATOM 742 CB VAL A 52 7.721 -5.513 1.444 1.00 0.00 C ATOM 743 CG1 VAL A 52 9.051 -6.130 1.890 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.920 -6.648 0.775 1.00 0.00 C ATOM 0 H VAL A 52 5.639 -4.242 1.154 1.00 0.00 H new ATOM 0 HA VAL A 52 6.796 -5.724 3.320 1.00 0.00 H new ATOM 0 HB VAL A 52 7.890 -4.691 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.563 -6.554 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.677 -5.359 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.861 -6.916 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.495 -7.059 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.724 -7.434 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.974 -6.255 0.402 1.00 0.00 H new ATOM 754 N HIS A 53 7.851 -2.588 2.955 1.00 0.00 N ATOM 755 CA HIS A 53 8.535 -1.507 3.681 1.00 0.00 C ATOM 756 C HIS A 53 7.855 -1.187 5.014 1.00 0.00 C ATOM 757 O HIS A 53 8.519 -0.894 6.012 1.00 0.00 O ATOM 758 CB HIS A 53 8.583 -0.242 2.816 1.00 0.00 C ATOM 759 CG HIS A 53 9.371 0.869 3.451 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.868 1.879 4.278 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.717 1.013 3.326 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.943 2.606 4.632 1.00 0.00 C ATOM 763 NE2 HIS A 53 11.061 2.114 4.068 1.00 0.00 N ATOM 0 H HIS A 53 7.495 -2.304 2.042 1.00 0.00 H new ATOM 0 HA HIS A 53 9.546 -1.852 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.022 -0.486 1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.566 0.102 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.384 0.384 2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.913 3.468 5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.002 2.494 4.174 1.00 0.00 H new ATOM 771 N ARG A 54 6.521 -1.248 5.047 1.00 0.00 N ATOM 772 CA ARG A 54 5.732 -1.092 6.263 1.00 0.00 C ATOM 773 C ARG A 54 6.078 -2.205 7.261 1.00 0.00 C ATOM 774 O ARG A 54 5.965 -1.970 8.464 1.00 0.00 O ATOM 775 CB ARG A 54 4.240 -1.065 5.875 1.00 0.00 C ATOM 776 CG ARG A 54 3.271 -0.821 7.037 1.00 0.00 C ATOM 777 CD ARG A 54 3.163 0.635 7.490 1.00 0.00 C ATOM 778 NE ARG A 54 2.712 0.699 8.890 1.00 0.00 N ATOM 779 CZ ARG A 54 1.531 0.307 9.383 1.00 0.00 C ATOM 780 NH1 ARG A 54 0.546 -0.089 8.590 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.329 0.290 10.691 1.00 0.00 N ATOM 0 H ARG A 54 5.954 -1.410 4.215 1.00 0.00 H new ATOM 0 HA ARG A 54 5.964 -0.153 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.089 -0.287 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.986 -2.014 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.281 -1.170 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.585 -1.428 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.130 1.128 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.463 1.172 6.850 1.00 0.00 H new ATOM 0 HE ARG A 54 3.375 1.086 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.678 -0.100 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.345 -0.383 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.074 0.576 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.428 -0.009 11.064 1.00 0.00 H new ATOM 795 N GLY A 55 6.543 -3.368 6.805 1.00 0.00 N ATOM 796 CA GLY A 55 7.016 -4.441 7.659 1.00 0.00 C ATOM 797 C GLY A 55 5.861 -5.283 8.175 1.00 0.00 C ATOM 798 O GLY A 55 5.840 -5.578 9.372 1.00 0.00 O ATOM 0 H GLY A 55 6.600 -3.588 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.710 -5.072 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.569 -4.023 8.500 1.00 0.00 H new ATOM 802 N VAL A 56 4.894 -5.654 7.325 1.00 0.00 N ATOM 803 CA VAL A 56 3.682 -6.348 7.766 1.00 0.00 C ATOM 804 C VAL A 56 3.434 -7.662 7.003 1.00 0.00 C ATOM 805 O VAL A 56 2.893 -8.600 7.594 1.00 0.00 O ATOM 806 CB VAL A 56 2.472 -5.388 7.742 1.00 0.00 C ATOM 807 CG1 VAL A 56 1.367 -5.891 8.670 1.00 0.00 C ATOM 808 CG2 VAL A 56 2.800 -3.956 8.176 1.00 0.00 C ATOM 0 H VAL A 56 4.931 -5.482 6.320 1.00 0.00 H new ATOM 0 HA VAL A 56 3.831 -6.656 8.801 1.00 0.00 H new ATOM 0 HB VAL A 56 2.156 -5.370 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.524 -5.201 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.040 -6.879 8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.748 -5.953 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.897 -3.346 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.182 -3.964 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.554 -3.537 7.509 1.00 0.00 H new ATOM 818 N ILE A 57 3.781 -7.781 5.713 1.00 0.00 N ATOM 819 CA ILE A 57 3.597 -9.037 4.966 1.00 0.00 C ATOM 820 C ILE A 57 4.930 -9.773 4.822 1.00 0.00 C ATOM 821 O ILE A 57 5.998 -9.152 4.790 1.00 0.00 O ATOM 822 CB ILE A 57 2.898 -8.816 3.595 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.686 -7.931 2.598 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.481 -8.263 3.826 1.00 0.00 C ATOM 825 CD1 ILE A 57 3.106 -7.937 1.168 1.00 0.00 C ATOM 0 H ILE A 57 4.190 -7.025 5.165 1.00 0.00 H new ATOM 0 HA ILE A 57 2.923 -9.670 5.544 1.00 0.00 H new ATOM 0 HB ILE A 57 2.852 -9.793 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.701 -6.906 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.720 -8.273 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.990 -8.108 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.905 -8.975 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.543 -7.314 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.711 -7.295 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.116 -8.954 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.081 -7.566 1.189 1.00 0.00 H new ATOM 837 N SER A 58 4.893 -11.104 4.773 1.00 0.00 N ATOM 838 CA SER A 58 6.093 -11.882 4.491 1.00 0.00 C ATOM 839 C SER A 58 6.368 -11.706 2.995 1.00 0.00 C ATOM 840 O SER A 58 5.444 -11.396 2.231 1.00 0.00 O ATOM 841 CB SER A 58 5.879 -13.354 4.845 1.00 0.00 C ATOM 842 OG SER A 58 5.595 -13.506 6.228 1.00 0.00 O ATOM 0 H SER A 58 4.051 -11.660 4.924 1.00 0.00 H new ATOM 0 HA SER A 58 6.940 -11.543 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.057 -13.759 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.769 -13.927 4.587 1.00 0.00 H new ATOM 0 HG SER A 58 5.460 -14.455 6.432 1.00 0.00 H new ATOM 848 N ASN A 59 7.608 -11.915 2.537 1.00 0.00 N ATOM 849 CA ASN A 59 7.879 -11.798 1.106 1.00 0.00 C ATOM 850 C ASN A 59 7.489 -13.135 0.461 1.00 0.00 C ATOM 851 O ASN A 59 8.319 -13.943 0.053 1.00 0.00 O ATOM 852 CB ASN A 59 9.353 -11.403 0.900 1.00 0.00 C ATOM 853 CG ASN A 59 9.621 -10.929 -0.520 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.447 -11.494 -1.227 1.00 0.00 O ATOM 855 ND2 ASN A 59 8.978 -9.853 -0.945 1.00 0.00 N ATOM 0 H ASN A 59 8.412 -12.158 3.116 1.00 0.00 H new ATOM 0 HA ASN A 59 7.294 -11.013 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.618 -10.613 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.992 -12.257 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.167 -9.480 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.294 -9.396 -0.342 1.00 0.00 H new ATOM 862 N SER A 60 6.176 -13.337 0.382 1.00 0.00 N ATOM 863 CA SER A 60 5.427 -14.432 -0.212 1.00 0.00 C ATOM 864 C SER A 60 4.101 -13.921 -0.795 1.00 0.00 C ATOM 865 O SER A 60 3.435 -14.695 -1.485 1.00 0.00 O ATOM 866 CB SER A 60 5.173 -15.531 0.826 1.00 0.00 C ATOM 867 OG SER A 60 4.577 -16.660 0.205 1.00 0.00 O ATOM 0 H SER A 60 5.538 -12.650 0.784 1.00 0.00 H new ATOM 0 HA SER A 60 6.018 -14.856 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.112 -15.820 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.522 -15.154 1.615 1.00 0.00 H new ATOM 0 HG SER A 60 3.978 -16.361 -0.511 1.00 0.00 H new ATOM 873 N GLY A 61 3.693 -12.693 -0.453 1.00 0.00 N ATOM 874 CA GLY A 61 2.410 -12.121 -0.811 1.00 0.00 C ATOM 875 C GLY A 61 1.378 -12.437 0.266 1.00 0.00 C ATOM 876 O GLY A 61 1.672 -13.129 1.248 1.00 0.00 O ATOM 0 H GLY A 61 4.272 -12.059 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.504 -11.042 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.080 -12.520 -1.770 1.00 0.00 H new ATOM 880 N GLY A 62 0.171 -11.904 0.106 1.00 0.00 N ATOM 881 CA GLY A 62 -0.891 -11.999 1.096 1.00 0.00 C ATOM 882 C GLY A 62 -2.012 -10.986 0.845 1.00 0.00 C ATOM 883 O GLY A 62 -1.941 -10.216 -0.124 1.00 0.00 O ATOM 0 H GLY A 62 -0.099 -11.386 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.306 -13.007 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.474 -11.837 2.090 1.00 0.00 H new ATOM 887 N PRO A 63 -3.050 -10.975 1.693 1.00 0.00 N ATOM 888 CA PRO A 63 -4.118 -9.983 1.659 1.00 0.00 C ATOM 889 C PRO A 63 -3.606 -8.687 2.295 1.00 0.00 C ATOM 890 O PRO A 63 -2.692 -8.735 3.117 1.00 0.00 O ATOM 891 CB PRO A 63 -5.242 -10.611 2.481 1.00 0.00 C ATOM 892 CG PRO A 63 -4.500 -11.447 3.526 1.00 0.00 C ATOM 893 CD PRO A 63 -3.230 -11.893 2.809 1.00 0.00 C ATOM 0 HA PRO A 63 -4.458 -9.731 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.870 -9.852 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.894 -11.228 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.271 -10.861 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.096 -12.300 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.372 -11.862 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.322 -12.920 2.457 1.00 0.00 H new ATOM 901 N VAL A 64 -4.169 -7.529 1.937 1.00 0.00 N ATOM 902 CA VAL A 64 -3.683 -6.224 2.385 1.00 0.00 C ATOM 903 C VAL A 64 -4.845 -5.216 2.337 1.00 0.00 C ATOM 904 O VAL A 64 -5.870 -5.486 1.701 1.00 0.00 O ATOM 905 CB VAL A 64 -2.539 -5.747 1.444 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.643 -4.706 2.104 1.00 0.00 C ATOM 907 CG2 VAL A 64 -1.617 -6.812 0.837 1.00 0.00 C ATOM 0 H VAL A 64 -4.982 -7.472 1.323 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.302 -6.299 3.404 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.122 -5.339 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.861 -4.405 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.238 -3.835 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.188 -5.132 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.871 -6.330 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.117 -7.359 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.207 -7.505 0.237 1.00 0.00 H new ATOM 917 N ARG A 65 -4.717 -4.045 2.973 1.00 0.00 N ATOM 918 CA ARG A 65 -5.685 -2.959 2.884 1.00 0.00 C ATOM 919 C ARG A 65 -4.931 -1.662 2.628 1.00 0.00 C ATOM 920 O ARG A 65 -4.165 -1.198 3.467 1.00 0.00 O ATOM 921 CB ARG A 65 -6.577 -2.887 4.129 1.00 0.00 C ATOM 922 CG ARG A 65 -7.629 -1.777 3.942 1.00 0.00 C ATOM 923 CD ARG A 65 -8.689 -1.789 5.043 1.00 0.00 C ATOM 924 NE ARG A 65 -9.526 -2.981 4.945 1.00 0.00 N ATOM 925 CZ ARG A 65 -10.327 -3.481 5.879 1.00 0.00 C ATOM 926 NH1 ARG A 65 -10.540 -2.844 7.029 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.888 -4.651 5.634 1.00 0.00 N ATOM 0 H ARG A 65 -3.921 -3.828 3.573 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.366 -3.141 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.069 -3.846 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.971 -2.684 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.132 -0.807 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.114 -1.899 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.206 -1.758 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.310 -0.896 4.966 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.492 -3.487 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.083 -1.950 7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.160 -3.250 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.699 -5.133 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.510 -5.073 6.323 1.00 0.00 H new ATOM 941 N VAL A 66 -5.101 -1.094 1.443 1.00 0.00 N ATOM 942 CA VAL A 66 -4.554 0.208 1.094 1.00 0.00 C ATOM 943 C VAL A 66 -5.533 1.282 1.594 1.00 0.00 C ATOM 944 O VAL A 66 -6.749 1.128 1.480 1.00 0.00 O ATOM 945 CB VAL A 66 -4.345 0.277 -0.437 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.750 1.621 -0.885 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.402 -0.840 -0.926 1.00 0.00 C ATOM 0 H VAL A 66 -5.630 -1.530 0.688 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.584 0.375 1.563 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.336 0.156 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.622 1.620 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.423 2.430 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.782 1.768 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.276 -0.763 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.432 -0.736 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.830 -1.812 -0.679 1.00 0.00 H new ATOM 957 N TYR A 67 -5.002 2.389 2.111 1.00 0.00 N ATOM 958 CA TYR A 67 -5.707 3.592 2.529 1.00 0.00 C ATOM 959 C TYR A 67 -5.084 4.787 1.851 1.00 0.00 C ATOM 960 O TYR A 67 -3.911 5.058 2.101 1.00 0.00 O ATOM 961 CB TYR A 67 -5.632 3.812 4.044 1.00 0.00 C ATOM 962 CG TYR A 67 -6.635 3.015 4.824 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.886 3.609 5.045 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.349 1.736 5.333 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.886 2.920 5.733 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.350 1.040 6.032 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.635 1.613 6.192 1.00 0.00 C ATOM 968 OH TYR A 67 -9.637 0.918 6.780 1.00 0.00 O ATOM 0 H TYR A 67 -3.996 2.471 2.258 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.754 3.471 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.631 3.555 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.780 4.871 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.077 4.607 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.374 1.295 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.844 3.385 5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.139 0.066 6.448 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.310 0.032 7.042 1.00 0.00 H new ATOM 978 N SER A 68 -5.822 5.496 0.992 1.00 0.00 N ATOM 979 CA SER A 68 -5.273 6.728 0.451 1.00 0.00 C ATOM 980 C SER A 68 -5.086 7.690 1.633 1.00 0.00 C ATOM 981 O SER A 68 -5.807 7.620 2.637 1.00 0.00 O ATOM 982 CB SER A 68 -6.161 7.296 -0.658 1.00 0.00 C ATOM 983 OG SER A 68 -7.433 7.674 -0.166 1.00 0.00 O ATOM 0 H SER A 68 -6.758 5.249 0.671 1.00 0.00 H new ATOM 0 HA SER A 68 -4.310 6.555 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.673 8.160 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.281 6.552 -1.445 1.00 0.00 H new ATOM 0 HG SER A 68 -7.800 6.950 0.382 1.00 0.00 H new ATOM 989 N LEU A 69 -4.130 8.599 1.526 1.00 0.00 N ATOM 990 CA LEU A 69 -3.762 9.562 2.550 1.00 0.00 C ATOM 991 C LEU A 69 -3.604 10.881 1.783 1.00 0.00 C ATOM 992 O LEU A 69 -3.117 10.839 0.649 1.00 0.00 O ATOM 993 CB LEU A 69 -2.509 9.025 3.275 1.00 0.00 C ATOM 994 CG LEU A 69 -2.261 9.617 4.677 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.535 8.588 5.551 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.427 10.899 4.635 1.00 0.00 C ATOM 0 H LEU A 69 -3.563 8.689 0.683 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.483 9.726 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.596 7.942 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.636 9.224 2.654 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.237 9.864 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.361 9.010 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.147 7.691 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.580 8.331 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.283 11.273 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.457 10.687 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.946 11.651 4.041 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.029 12.031 2.331 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.037 13.298 1.608 1.00 0.00 C ATOM 1010 C PRO A 70 -2.671 13.754 1.078 1.00 0.00 C ATOM 1011 O PRO A 70 -1.622 13.153 1.338 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.649 14.316 2.585 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.481 13.687 3.963 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.619 12.205 3.651 1.00 0.00 C ATOM 0 HA PRO A 70 -4.618 13.192 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.139 15.277 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.700 14.498 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.513 13.923 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.242 14.029 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.104 11.597 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.665 11.898 3.657 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.701 14.852 0.315 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.508 15.524 -0.170 1.00 0.00 C ATOM 1024 C GLY A 71 -0.648 15.844 1.042 1.00 0.00 C ATOM 1025 O GLY A 71 -1.129 16.508 1.968 1.00 0.00 O ATOM 0 H GLY A 71 -3.569 15.298 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.966 14.888 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.771 16.436 -0.706 1.00 0.00 H new ATOM 1029 N ARG A 72 0.592 15.364 1.055 1.00 0.00 N ATOM 1030 CA ARG A 72 1.500 15.455 2.194 1.00 0.00 C ATOM 1031 C ARG A 72 2.824 16.054 1.775 1.00 0.00 C ATOM 1032 O ARG A 72 3.101 16.208 0.587 1.00 0.00 O ATOM 1033 CB ARG A 72 1.656 14.054 2.805 1.00 0.00 C ATOM 1034 CG ARG A 72 0.448 13.686 3.679 1.00 0.00 C ATOM 1035 CD ARG A 72 0.720 13.783 5.185 1.00 0.00 C ATOM 1036 NE ARG A 72 1.305 15.077 5.579 1.00 0.00 N ATOM 1037 CZ ARG A 72 2.521 15.301 6.088 1.00 0.00 C ATOM 1038 NH1 ARG A 72 3.410 14.315 6.137 1.00 0.00 N ATOM 1039 NH2 ARG A 72 2.847 16.508 6.537 1.00 0.00 N ATOM 0 H ARG A 72 1.004 14.888 0.252 1.00 0.00 H new ATOM 0 HA ARG A 72 1.091 16.121 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.768 13.318 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.566 14.016 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.384 14.343 3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.135 12.669 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.213 13.631 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.395 12.980 5.480 1.00 0.00 H new ATOM 0 HE ARG A 72 0.713 15.897 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.164 13.389 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.338 14.484 6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.169 17.268 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.776 16.674 6.924 1.00 0.00 H new ATOM 1053 N GLU A 73 3.621 16.442 2.760 1.00 0.00 N ATOM 1054 CA GLU A 73 4.879 17.140 2.618 1.00 0.00 C ATOM 1055 C GLU A 73 5.860 16.651 3.691 1.00 0.00 C ATOM 1056 O GLU A 73 5.499 15.814 4.520 1.00 0.00 O ATOM 1057 CB GLU A 73 4.614 18.654 2.700 1.00 0.00 C ATOM 1058 CG GLU A 73 4.210 19.190 4.087 1.00 0.00 C ATOM 1059 CD GLU A 73 2.702 19.254 4.385 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.947 18.278 4.174 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.256 20.295 4.920 1.00 0.00 O ATOM 0 H GLU A 73 3.387 16.264 3.737 1.00 0.00 H new ATOM 0 HA GLU A 73 5.337 16.933 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.513 19.179 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.825 18.905 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.681 18.565 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.623 20.193 4.199 1.00 0.00 H new ATOM 1068 N ASN A 74 7.082 17.203 3.695 1.00 0.00 N ATOM 1069 CA ASN A 74 8.113 16.960 4.715 1.00 0.00 C ATOM 1070 C ASN A 74 8.334 15.459 4.959 1.00 0.00 C ATOM 1071 O ASN A 74 8.427 14.986 6.098 1.00 0.00 O ATOM 1072 CB ASN A 74 7.802 17.737 6.008 1.00 0.00 C ATOM 1073 CG ASN A 74 7.971 19.249 5.892 1.00 0.00 C ATOM 1074 OD1 ASN A 74 7.607 19.868 4.894 1.00 0.00 O ATOM 1075 ND2 ASN A 74 8.517 19.891 6.911 1.00 0.00 N ATOM 0 H ASN A 74 7.389 17.849 2.968 1.00 0.00 H new ATOM 0 HA ASN A 74 9.060 17.343 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.777 17.520 6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.452 17.371 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.637 20.903 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.818 19.374 7.737 1.00 0.00 H new ATOM 1082 N TYR A 75 8.438 14.708 3.862 1.00 0.00 N ATOM 1083 CA TYR A 75 8.706 13.279 3.882 1.00 0.00 C ATOM 1084 C TYR A 75 10.178 13.059 4.256 1.00 0.00 C ATOM 1085 O TYR A 75 10.969 14.002 4.312 1.00 0.00 O ATOM 1086 CB TYR A 75 8.439 12.687 2.492 1.00 0.00 C ATOM 1087 CG TYR A 75 7.047 12.866 1.919 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.716 14.049 1.232 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.131 11.798 1.944 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.483 14.163 0.570 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.908 11.899 1.261 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.567 13.088 0.582 1.00 0.00 C ATOM 1093 OH TYR A 75 3.400 13.195 -0.108 1.00 0.00 O ATOM 0 H TYR A 75 8.336 15.087 2.921 1.00 0.00 H new ATOM 0 HA TYR A 75 8.059 12.790 4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.151 13.128 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.653 11.619 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.414 14.873 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.369 10.897 2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.234 15.076 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.225 11.062 1.255 1.00 0.00 H new ATOM 0 HH TYR A 75 3.082 14.121 -0.072 1.00 0.00 H new ATOM 1103 N SER A 76 10.556 11.798 4.437 1.00 0.00 N ATOM 1104 CA SER A 76 11.875 11.364 4.850 1.00 0.00 C ATOM 1105 C SER A 76 12.300 10.221 3.935 1.00 0.00 C ATOM 1106 O SER A 76 11.481 9.687 3.181 1.00 0.00 O ATOM 1107 CB SER A 76 11.806 10.899 6.310 1.00 0.00 C ATOM 1108 OG SER A 76 11.476 11.976 7.167 1.00 0.00 O ATOM 0 H SER A 76 9.916 11.017 4.291 1.00 0.00 H new ATOM 0 HA SER A 76 12.602 12.173 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.062 10.108 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.765 10.474 6.606 1.00 0.00 H new ATOM 0 HG SER A 76 11.436 11.657 8.093 1.00 0.00 H new ATOM 1114 N SER A 77 13.566 9.828 4.038 1.00 0.00 N ATOM 1115 CA SER A 77 14.113 8.684 3.336 1.00 0.00 C ATOM 1116 C SER A 77 14.469 7.668 4.417 1.00 0.00 C ATOM 1117 O SER A 77 15.206 8.003 5.350 1.00 0.00 O ATOM 1118 CB SER A 77 15.337 9.118 2.517 1.00 0.00 C ATOM 1119 OG SER A 77 15.039 10.232 1.682 1.00 0.00 O ATOM 0 H SER A 77 14.249 10.308 4.624 1.00 0.00 H new ATOM 0 HA SER A 77 13.410 8.247 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.154 9.376 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.680 8.284 1.904 1.00 0.00 H new ATOM 0 HG SER A 77 15.839 10.484 1.176 1.00 0.00 H new ATOM 1125 N VAL A 78 13.931 6.455 4.332 1.00 0.00 N ATOM 1126 CA VAL A 78 14.063 5.410 5.344 1.00 0.00 C ATOM 1127 C VAL A 78 14.151 4.072 4.622 1.00 0.00 C ATOM 1128 O VAL A 78 13.346 3.836 3.720 1.00 0.00 O ATOM 1129 CB VAL A 78 12.828 5.436 6.276 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.873 4.315 7.320 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.663 6.776 7.012 1.00 0.00 C ATOM 0 H VAL A 78 13.372 6.162 3.530 1.00 0.00 H new ATOM 0 HA VAL A 78 14.955 5.567 5.950 1.00 0.00 H new ATOM 0 HB VAL A 78 11.974 5.290 5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.987 4.371 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.898 3.349 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.766 4.426 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.780 6.734 7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.545 6.966 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.547 7.579 6.284 1.00 0.00 H new ATOM 1141 N ASP A 79 15.060 3.185 5.018 1.00 0.00 N ATOM 1142 CA ASP A 79 15.116 1.830 4.470 1.00 0.00 C ATOM 1143 C ASP A 79 14.525 0.907 5.525 1.00 0.00 C ATOM 1144 O ASP A 79 14.823 1.068 6.714 1.00 0.00 O ATOM 1145 CB ASP A 79 16.538 1.408 4.091 1.00 0.00 C ATOM 1146 CG ASP A 79 16.585 -0.009 3.496 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.442 -1.002 4.252 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.851 -0.143 2.278 1.00 0.00 O ATOM 0 H ASP A 79 15.773 3.381 5.721 1.00 0.00 H new ATOM 0 HA ASP A 79 14.548 1.780 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.945 2.117 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.175 1.450 4.974 1.00 0.00 H new ATOM 1153 N ALA A 80 13.634 0.005 5.123 1.00 0.00 N ATOM 1154 CA ALA A 80 13.046 -1.011 5.977 1.00 0.00 C ATOM 1155 C ALA A 80 12.672 -2.202 5.104 1.00 0.00 C ATOM 1156 O ALA A 80 12.272 -2.025 3.953 1.00 0.00 O ATOM 1157 CB ALA A 80 11.810 -0.450 6.690 1.00 0.00 C ATOM 0 H ALA A 80 13.293 -0.036 4.162 1.00 0.00 H new ATOM 0 HA ALA A 80 13.757 -1.323 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.377 -1.220 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.099 0.406 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.074 -0.136 5.950 1.00 0.00 H new ATOM 1163 N ASN A 81 12.769 -3.408 5.671 1.00 0.00 N ATOM 1164 CA ASN A 81 12.574 -4.687 4.976 1.00 0.00 C ATOM 1165 C ASN A 81 13.384 -4.731 3.672 1.00 0.00 C ATOM 1166 O ASN A 81 12.920 -5.224 2.646 1.00 0.00 O ATOM 1167 CB ASN A 81 11.082 -5.008 4.772 1.00 0.00 C ATOM 1168 CG ASN A 81 10.349 -5.455 6.031 1.00 0.00 C ATOM 1169 OD1 ASN A 81 9.741 -6.524 6.047 1.00 0.00 O ATOM 1170 ND2 ASN A 81 10.389 -4.677 7.100 1.00 0.00 N ATOM 0 H ASN A 81 12.993 -3.526 6.659 1.00 0.00 H new ATOM 0 HA ASN A 81 12.961 -5.482 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.585 -4.123 4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.992 -5.791 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.911 -4.960 7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.898 -3.794 7.069 1.00 0.00 H new ATOM 1177 N GLY A 82 14.599 -4.176 3.703 1.00 0.00 N ATOM 1178 CA GLY A 82 15.518 -4.202 2.578 1.00 0.00 C ATOM 1179 C GLY A 82 15.143 -3.259 1.433 1.00 0.00 C ATOM 1180 O GLY A 82 15.833 -3.274 0.412 1.00 0.00 O ATOM 0 H GLY A 82 14.969 -3.693 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.515 -3.943 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.571 -5.220 2.192 1.00 0.00 H new ATOM 1184 N ILE A 83 14.100 -2.439 1.570 1.00 0.00 N ATOM 1185 CA ILE A 83 13.588 -1.535 0.545 1.00 0.00 C ATOM 1186 C ILE A 83 13.883 -0.119 1.026 1.00 0.00 C ATOM 1187 O ILE A 83 13.661 0.187 2.197 1.00 0.00 O ATOM 1188 CB ILE A 83 12.073 -1.779 0.372 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.844 -3.208 -0.158 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.451 -0.738 -0.576 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.373 -3.617 -0.207 1.00 0.00 C ATOM 0 H ILE A 83 13.567 -2.386 2.438 1.00 0.00 H new ATOM 0 HA ILE A 83 14.056 -1.697 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 83 11.584 -1.673 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.267 -3.287 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.387 -3.911 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.384 -0.933 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.599 0.261 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.929 -0.804 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.291 -4.634 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.949 -3.572 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.828 -2.937 -0.862 1.00 0.00 H new ATOM 1203 N GLN A 84 14.286 0.770 0.119 1.00 0.00 N ATOM 1204 CA GLN A 84 14.639 2.142 0.438 1.00 0.00 C ATOM 1205 C GLN A 84 13.486 3.040 0.005 1.00 0.00 C ATOM 1206 O GLN A 84 13.007 2.966 -1.131 1.00 0.00 O ATOM 1207 CB GLN A 84 15.943 2.514 -0.294 1.00 0.00 C ATOM 1208 CG GLN A 84 16.408 3.971 -0.107 1.00 0.00 C ATOM 1209 CD GLN A 84 16.930 4.270 1.300 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.995 3.815 1.687 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.227 5.067 2.090 1.00 0.00 N ATOM 0 H GLN A 84 14.376 0.548 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 84 14.807 2.267 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.736 1.850 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.809 2.326 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.193 4.189 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.576 4.640 -0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.337 5.448 1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.575 5.300 3.020 1.00 0.00 H new ATOM 1220 N SER A 85 13.037 3.893 0.924 1.00 0.00 N ATOM 1221 CA SER A 85 12.047 4.918 0.654 1.00 0.00 C ATOM 1222 C SER A 85 12.806 6.242 0.572 1.00 0.00 C ATOM 1223 O SER A 85 13.819 6.404 1.265 1.00 0.00 O ATOM 1224 CB SER A 85 10.893 4.923 1.666 1.00 0.00 C ATOM 1225 OG SER A 85 11.310 5.332 2.948 1.00 0.00 O ATOM 0 H SER A 85 13.360 3.886 1.891 1.00 0.00 H new ATOM 0 HA SER A 85 11.538 4.724 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.105 5.589 1.313 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.462 3.924 1.728 1.00 0.00 H new ATOM 0 HG SER A 85 11.797 4.601 3.382 1.00 0.00 H new ATOM 1231 N GLN A 86 12.362 7.168 -0.276 1.00 0.00 N ATOM 1232 CA GLN A 86 12.976 8.478 -0.471 1.00 0.00 C ATOM 1233 C GLN A 86 11.936 9.576 -0.228 1.00 0.00 C ATOM 1234 O GLN A 86 10.756 9.366 -0.502 1.00 0.00 O ATOM 1235 CB GLN A 86 13.608 8.533 -1.875 1.00 0.00 C ATOM 1236 CG GLN A 86 12.595 8.475 -3.035 1.00 0.00 C ATOM 1237 CD GLN A 86 13.015 7.524 -4.156 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.578 7.936 -5.165 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.702 6.246 -4.023 1.00 0.00 N ATOM 0 H GLN A 86 11.541 7.022 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 86 13.777 8.646 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.189 9.451 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.307 7.703 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.626 8.163 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.466 9.476 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.234 5.921 -3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.929 5.585 -4.766 1.00 0.00 H new ATOM 1248 N MET A 87 12.345 10.734 0.296 1.00 0.00 N ATOM 1249 CA MET A 87 11.450 11.877 0.470 1.00 0.00 C ATOM 1250 C MET A 87 10.896 12.382 -0.876 1.00 0.00 C ATOM 1251 O MET A 87 11.393 12.014 -1.940 1.00 0.00 O ATOM 1252 CB MET A 87 12.167 12.976 1.276 1.00 0.00 C ATOM 1253 CG MET A 87 13.296 13.709 0.534 1.00 0.00 C ATOM 1254 SD MET A 87 12.795 15.039 -0.601 1.00 0.00 S ATOM 1255 CE MET A 87 12.153 16.271 0.565 1.00 0.00 C ATOM 0 H MET A 87 13.301 10.904 0.610 1.00 0.00 H new ATOM 0 HA MET A 87 10.577 11.561 1.041 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.427 13.711 1.594 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.580 12.529 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.973 14.132 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.865 12.973 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.023 17.224 0.052 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.192 15.936 0.956 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.857 16.394 1.388 1.00 0.00 H new ATOM 1265 N LEU A 88 9.879 13.255 -0.832 1.00 0.00 N ATOM 1266 CA LEU A 88 9.317 13.924 -2.003 1.00 0.00 C ATOM 1267 C LEU A 88 9.053 15.388 -1.678 1.00 0.00 C ATOM 1268 O LEU A 88 8.962 15.778 -0.510 1.00 0.00 O ATOM 1269 CB LEU A 88 7.980 13.342 -2.474 1.00 0.00 C ATOM 1270 CG LEU A 88 7.872 11.813 -2.530 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.208 11.299 -1.260 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.995 11.460 -3.722 1.00 0.00 C ATOM 0 H LEU A 88 9.418 13.518 0.039 1.00 0.00 H new ATOM 0 HA LEU A 88 10.055 13.786 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.196 13.714 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.771 13.734 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 88 8.861 11.364 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.133 10.212 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.805 11.588 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.210 11.729 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.896 10.377 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.009 11.907 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.451 11.843 -4.635 1.00 0.00 H new ATOM 1284 N SER A 89 8.784 16.175 -2.715 1.00 0.00 N ATOM 1285 CA SER A 89 8.426 17.572 -2.620 1.00 0.00 C ATOM 1286 C SER A 89 6.910 17.790 -2.721 1.00 0.00 C ATOM 1287 O SER A 89 6.366 18.064 -3.792 1.00 0.00 O ATOM 1288 CB SER A 89 9.242 18.360 -3.652 1.00 0.00 C ATOM 1289 OG SER A 89 9.372 17.645 -4.874 1.00 0.00 O ATOM 0 H SER A 89 8.813 15.837 -3.677 1.00 0.00 H new ATOM 0 HA SER A 89 8.681 17.954 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.761 19.320 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.232 18.574 -3.248 1.00 0.00 H new ATOM 0 HG SER A 89 9.896 18.176 -5.510 1.00 0.00 H new ATOM 1295 N ARG A 90 6.222 17.658 -1.579 1.00 0.00 N ATOM 1296 CA ARG A 90 4.793 17.968 -1.436 1.00 0.00 C ATOM 1297 C ARG A 90 3.870 17.245 -2.432 1.00 0.00 C ATOM 1298 O ARG A 90 3.238 17.905 -3.268 1.00 0.00 O ATOM 1299 CB ARG A 90 4.598 19.496 -1.420 1.00 0.00 C ATOM 1300 CG ARG A 90 3.253 19.895 -0.789 1.00 0.00 C ATOM 1301 CD ARG A 90 2.570 21.028 -1.553 1.00 0.00 C ATOM 1302 NE ARG A 90 1.927 20.555 -2.791 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.067 21.271 -3.527 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.773 22.522 -3.184 1.00 0.00 N ATOM 1305 NH2 ARG A 90 0.493 20.746 -4.602 1.00 0.00 N ATOM 0 H ARG A 90 6.650 17.327 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 90 4.472 17.562 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.412 19.960 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.649 19.879 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.594 19.027 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.415 20.202 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.822 21.496 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.306 21.794 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 90 2.153 19.613 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.203 22.939 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.118 23.065 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.705 19.787 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.160 21.302 -5.154 1.00 0.00 H new ATOM 1319 N TRP A 91 3.818 15.912 -2.409 1.00 0.00 N ATOM 1320 CA TRP A 91 3.077 15.148 -3.406 1.00 0.00 C ATOM 1321 C TRP A 91 1.606 15.096 -2.999 1.00 0.00 C ATOM 1322 O TRP A 91 1.249 14.631 -1.915 1.00 0.00 O ATOM 1323 CB TRP A 91 3.679 13.745 -3.532 1.00 0.00 C ATOM 1324 CG TRP A 91 3.358 12.986 -4.785 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.173 12.422 -5.102 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.262 12.600 -5.858 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.290 11.696 -6.270 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.582 11.715 -6.744 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.615 12.864 -6.128 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.233 11.081 -7.814 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.301 12.170 -7.136 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.613 11.288 -7.990 1.00 0.00 C ATOM 0 H TRP A 91 4.284 15.339 -1.705 1.00 0.00 H new ATOM 0 HA TRP A 91 3.147 15.627 -4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.763 13.831 -3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.344 13.153 -2.680 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.265 12.524 -4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.518 11.208 -6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.136 13.613 -5.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.683 10.444 -8.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.364 12.314 -7.257 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.143 10.772 -8.777 1.00 0.00 H new ATOM 1343 N SER A 92 0.733 15.583 -3.879 1.00 0.00 N ATOM 1344 CA SER A 92 -0.691 15.740 -3.612 1.00 0.00 C ATOM 1345 C SER A 92 -1.509 14.446 -3.789 1.00 0.00 C ATOM 1346 O SER A 92 -2.681 14.505 -4.168 1.00 0.00 O ATOM 1347 CB SER A 92 -1.211 16.857 -4.517 1.00 0.00 C ATOM 1348 OG SER A 92 -0.400 18.018 -4.413 1.00 0.00 O ATOM 0 H SER A 92 1.003 15.885 -4.815 1.00 0.00 H new ATOM 0 HA SER A 92 -0.817 15.996 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.228 16.513 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.238 17.101 -4.245 1.00 0.00 H new ATOM 0 HG SER A 92 -0.832 18.667 -3.819 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.927 13.285 -3.486 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.547 11.972 -3.620 1.00 0.00 C ATOM 1356 C ALA A 93 -0.697 10.969 -2.845 1.00 0.00 C ATOM 1357 O ALA A 93 0.359 10.550 -3.333 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.638 11.557 -5.099 1.00 0.00 C ATOM 0 H ALA A 93 0.026 13.235 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.562 12.001 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.104 10.574 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.238 12.285 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.637 11.517 -5.528 1.00 0.00 H new ATOM 1364 N SER A 94 -1.125 10.595 -1.645 1.00 0.00 N ATOM 1365 CA SER A 94 -0.394 9.652 -0.816 1.00 0.00 C ATOM 1366 C SER A 94 -1.285 8.474 -0.428 1.00 0.00 C ATOM 1367 O SER A 94 -2.469 8.424 -0.782 1.00 0.00 O ATOM 1368 CB SER A 94 0.161 10.370 0.419 1.00 0.00 C ATOM 1369 OG SER A 94 0.657 11.675 0.161 1.00 0.00 O ATOM 0 H SER A 94 -1.988 10.938 -1.222 1.00 0.00 H new ATOM 0 HA SER A 94 0.446 9.251 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.625 10.435 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.962 9.767 0.846 1.00 0.00 H new ATOM 0 HG SER A 94 0.016 12.339 0.490 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.713 7.505 0.279 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.402 6.374 0.856 1.00 0.00 C ATOM 1377 C PHE A 95 -0.576 5.807 2.002 1.00 0.00 C ATOM 1378 O PHE A 95 0.555 6.218 2.240 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.718 5.312 -0.225 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.568 4.464 -0.748 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.192 4.890 -1.854 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.328 3.189 -0.195 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.173 4.047 -2.409 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.639 2.341 -0.760 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.386 2.764 -1.873 1.00 0.00 C ATOM 0 H PHE A 95 0.289 7.493 0.470 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.361 6.698 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.473 4.638 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.169 5.824 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.021 5.868 -2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.891 2.863 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.763 4.386 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.809 1.361 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.120 2.107 -2.315 1.00 0.00 H new ATOM 1395 N THR A 96 -1.169 4.888 2.745 1.00 0.00 N ATOM 1396 CA THR A 96 -0.548 4.114 3.794 1.00 0.00 C ATOM 1397 C THR A 96 -1.230 2.752 3.684 1.00 0.00 C ATOM 1398 O THR A 96 -2.411 2.665 3.334 1.00 0.00 O ATOM 1399 CB THR A 96 -0.661 4.825 5.156 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.286 4.277 6.047 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.057 4.786 5.784 1.00 0.00 C ATOM 0 H THR A 96 -2.154 4.652 2.621 1.00 0.00 H new ATOM 0 HA THR A 96 0.531 3.994 3.697 1.00 0.00 H new ATOM 0 HB THR A 96 -0.460 5.879 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.182 4.595 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.041 5.311 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.770 5.270 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.355 3.750 5.944 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.468 1.675 3.818 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.990 0.326 3.709 1.00 0.00 C ATOM 1411 C VAL A 97 -1.043 -0.305 5.100 1.00 0.00 C ATOM 1412 O VAL A 97 -0.144 -0.065 5.912 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.172 -0.404 2.636 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.316 -0.532 2.957 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.737 -1.771 2.326 1.00 0.00 C ATOM 0 H VAL A 97 0.534 1.716 4.006 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.023 0.276 3.365 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.256 0.235 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.819 -1.060 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.751 0.461 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.441 -1.089 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.127 -2.252 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.733 -2.380 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.760 -1.668 1.963 1.00 0.00 H new ATOM 1425 N THR A 98 -2.064 -1.117 5.366 1.00 0.00 N ATOM 1426 CA THR A 98 -2.302 -1.809 6.623 1.00 0.00 C ATOM 1427 C THR A 98 -2.799 -3.231 6.329 1.00 0.00 C ATOM 1428 O THR A 98 -2.972 -3.605 5.164 1.00 0.00 O ATOM 1429 CB THR A 98 -3.322 -1.022 7.480 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.632 -1.023 6.955 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.959 0.451 7.694 1.00 0.00 C ATOM 0 H THR A 98 -2.783 -1.318 4.671 1.00 0.00 H new ATOM 0 HA THR A 98 -1.374 -1.875 7.191 1.00 0.00 H new ATOM 0 HB THR A 98 -3.283 -1.565 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.834 -0.141 6.577 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.725 0.930 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.996 0.519 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.897 0.954 6.729 1.00 0.00 H new ATOM 1439 N LEU A 99 -3.002 -4.037 7.374 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.599 -5.366 7.298 1.00 0.00 C ATOM 1441 C LEU A 99 -4.760 -5.380 8.277 1.00 0.00 C ATOM 1442 O LEU A 99 -4.554 -5.010 9.438 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.646 -6.497 7.737 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.451 -6.841 6.838 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -0.915 -8.222 7.234 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.798 -6.875 5.363 1.00 0.00 C ATOM 0 H LEU A 99 -2.746 -3.771 8.325 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.877 -5.545 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.256 -6.238 8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.241 -7.402 7.858 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.710 -6.055 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.065 -8.477 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.599 -8.204 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.700 -8.967 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.908 -7.124 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.567 -7.627 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.169 -5.898 5.054 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.965 -5.743 7.839 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.090 -5.927 8.750 1.00 0.00 C ATOM 1460 C GLU A 100 -7.081 -7.416 9.015 1.00 0.00 C ATOM 1461 O GLU A 100 -7.363 -8.181 8.069 1.00 0.00 O ATOM 1462 CB GLU A 100 -8.445 -5.448 8.201 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.558 -5.866 9.186 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.917 -5.235 8.889 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -11.686 -5.733 8.037 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.256 -4.200 9.515 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.693 -7.819 10.129 1.00 0.00 O ATOM 0 H GLU A 100 -6.186 -5.915 6.858 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.974 -5.318 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.440 -4.365 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.629 -5.882 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.660 -6.951 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.255 -5.594 10.197 1.00 0.00 H new TER 1474 GLU A 100