USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 63 ASN : amide:sc= 1.24 K(o=1.5,f=-1.1) USER MOD Set 1.2: A 74 TYR OH : rot -179:sc= 0.262 USER MOD Set 2.1: A 40 SER OG : rot 94:sc= 1.44 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.17 K(o=1.3,f=-7.1!) USER MOD Set 3.1: A 19 THR OG1 : rot -132:sc= 0.4 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.6 K(o=2,f=-6.6!) USER MOD Set 4.1: A 1 GLY N :NH3+ -148:sc= 1.32 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 82:sc= 2.18 USER MOD Single : A 2 SER OG : rot -51:sc=0.000783 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0.933) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.491 USER MOD Single : A 14 CYS SG : rot -170:sc= -1.32 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.3!) USER MOD Single : A 26 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.03) USER MOD Single : A 33 HIS : no HD1:sc= -0.005 X(o=-0.005,f=-0.005) USER MOD Single : A 39 GLN : amide:sc=-0.00169 X(o=-0.0017,f=0) USER MOD Single : A 46 TYR OH : rot 8:sc= 1.32 USER MOD Single : A 47 SER OG : rot 47:sc= 0.513 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.679 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.1) USER MOD Single : A 56 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.94) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 64 MET CE :methyl -179:sc= -0.682 (180deg=-0.705) USER MOD Single : A 65 SER OG : rot 180:sc= 1.13 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 73:sc= 0.517 USER MOD Single : A 70 ASN : amide:sc= 2.14 K(o=2.1,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0493 (180deg=-0.264) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00845 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= 2 (180deg=-0.115) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0.858 (180deg=0.668) USER MOD Single : A 92 ASN : amide:sc= 0.886 K(o=0.89,f=-0.7) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.12) USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.723) USER MOD Single : A 102 SER OG : rot 19:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -3.250 3.174 -15.436 1.00 0.00 N ATOM 43 CA GLY A 1 -4.061 4.373 -15.408 1.00 0.00 C ATOM 44 C GLY A 1 -3.263 5.549 -15.963 1.00 0.00 C ATOM 45 O GLY A 1 -2.243 5.353 -16.622 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.860 2.346 -15.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.555 3.243 -16.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.752 3.070 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.966 4.225 -15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.377 4.586 -14.387 1.00 0.00 H new ATOM 46 N SER A 2 -3.713 6.776 -15.699 1.00 0.00 N ATOM 47 CA SER A 2 -3.214 7.964 -16.389 1.00 0.00 C ATOM 48 C SER A 2 -2.140 8.705 -15.578 1.00 0.00 C ATOM 49 O SER A 2 -1.997 9.918 -15.716 1.00 0.00 O ATOM 50 CB SER A 2 -4.403 8.865 -16.750 1.00 0.00 C ATOM 51 OG SER A 2 -4.099 9.656 -17.886 1.00 0.00 O ATOM 0 H SER A 2 -4.432 6.973 -15.003 1.00 0.00 H new ATOM 0 HA SER A 2 -2.713 7.656 -17.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.283 8.253 -16.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.648 9.509 -15.906 1.00 0.00 H new ATOM 0 HG SER A 2 -3.242 10.111 -17.748 1.00 0.00 H new ATOM 52 N ALA A 3 -1.379 7.985 -14.742 1.00 0.00 N ATOM 53 CA ALA A 3 -0.336 8.503 -13.849 1.00 0.00 C ATOM 54 C ALA A 3 -0.885 9.443 -12.774 1.00 0.00 C ATOM 55 O ALA A 3 -0.786 9.150 -11.587 1.00 0.00 O ATOM 56 CB ALA A 3 0.805 9.166 -14.625 1.00 0.00 C ATOM 0 H ALA A 3 -1.481 6.973 -14.667 1.00 0.00 H new ATOM 0 HA ALA A 3 0.070 7.633 -13.332 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.555 9.535 -13.925 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.261 8.437 -15.295 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.412 9.999 -15.209 1.00 0.00 H new ATOM 57 N LYS A 4 -1.450 10.583 -13.179 1.00 0.00 N ATOM 58 CA LYS A 4 -2.272 11.406 -12.309 1.00 0.00 C ATOM 59 C LYS A 4 -3.631 10.708 -12.128 1.00 0.00 C ATOM 60 O LYS A 4 -3.754 9.526 -12.436 1.00 0.00 O ATOM 61 CB LYS A 4 -2.349 12.837 -12.873 1.00 0.00 C ATOM 62 CG LYS A 4 -2.003 13.890 -11.809 1.00 0.00 C ATOM 63 CD LYS A 4 -1.762 15.257 -12.464 1.00 0.00 C ATOM 64 CE LYS A 4 -1.396 16.314 -11.408 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.021 17.607 -12.019 1.00 0.00 N ATOM 0 H LYS A 4 -1.346 10.956 -14.123 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.841 11.513 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.664 12.933 -13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.353 13.023 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.815 13.965 -11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.114 13.582 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.960 15.177 -13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.657 15.570 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.242 16.463 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.568 15.947 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.782 18.288 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.197 17.472 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.819 17.972 -12.577 1.00 0.00 H new ATOM 66 N LYS A 5 -4.629 11.399 -11.559 1.00 0.00 N ATOM 67 CA LYS A 5 -5.883 10.840 -11.034 1.00 0.00 C ATOM 68 C LYS A 5 -5.548 10.094 -9.742 1.00 0.00 C ATOM 69 O LYS A 5 -6.016 10.444 -8.657 1.00 0.00 O ATOM 70 CB LYS A 5 -6.628 9.969 -12.079 1.00 0.00 C ATOM 71 CG LYS A 5 -8.058 9.506 -11.729 1.00 0.00 C ATOM 72 CD LYS A 5 -8.113 8.666 -10.443 1.00 0.00 C ATOM 73 CE LYS A 5 -9.207 7.589 -10.372 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.583 8.111 -10.278 1.00 0.00 N ATOM 0 H LYS A 5 -4.581 12.412 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.590 11.639 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.675 10.530 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.024 9.082 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.700 10.379 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.459 8.921 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.147 8.179 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.246 9.343 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.133 6.957 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.015 6.952 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.239 7.328 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.638 8.809 -9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.844 8.565 -11.177 1.00 0.00 H new ATOM 75 N GLY A 6 -4.695 9.079 -9.865 1.00 0.00 N ATOM 76 CA GLY A 6 -4.251 8.232 -8.775 1.00 0.00 C ATOM 77 C GLY A 6 -3.692 9.049 -7.612 1.00 0.00 C ATOM 78 O GLY A 6 -3.908 8.704 -6.455 1.00 0.00 O ATOM 0 H GLY A 6 -4.283 8.820 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.085 7.624 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.486 7.545 -9.137 1.00 0.00 H new ATOM 79 N ALA A 7 -3.013 10.161 -7.914 1.00 0.00 N ATOM 80 CA ALA A 7 -2.523 11.102 -6.916 1.00 0.00 C ATOM 81 C ALA A 7 -3.653 11.576 -5.998 1.00 0.00 C ATOM 82 O ALA A 7 -3.497 11.632 -4.778 1.00 0.00 O ATOM 83 CB ALA A 7 -1.870 12.294 -7.624 1.00 0.00 C ATOM 0 H ALA A 7 -2.789 10.431 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.784 10.599 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.502 13.001 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.038 11.943 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.605 12.786 -8.260 1.00 0.00 H new ATOM 84 N THR A 8 -4.792 11.939 -6.585 1.00 0.00 N ATOM 85 CA THR A 8 -5.939 12.438 -5.849 1.00 0.00 C ATOM 86 C THR A 8 -6.493 11.329 -4.957 1.00 0.00 C ATOM 87 O THR A 8 -6.755 11.552 -3.780 1.00 0.00 O ATOM 88 CB THR A 8 -6.975 12.961 -6.851 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.319 13.793 -7.791 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.080 13.763 -6.157 1.00 0.00 C ATOM 0 H THR A 8 -4.940 11.893 -7.593 1.00 0.00 H new ATOM 0 HA THR A 8 -5.658 13.264 -5.196 1.00 0.00 H new ATOM 0 HB THR A 8 -7.439 12.106 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.971 14.132 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.795 14.117 -6.900 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.592 13.127 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.641 14.617 -5.641 1.00 0.00 H new ATOM 91 N LEU A 9 -6.631 10.124 -5.513 1.00 0.00 N ATOM 92 CA LEU A 9 -7.122 8.962 -4.800 1.00 0.00 C ATOM 93 C LEU A 9 -6.213 8.665 -3.608 1.00 0.00 C ATOM 94 O LEU A 9 -6.686 8.536 -2.483 1.00 0.00 O ATOM 95 CB LEU A 9 -7.197 7.789 -5.789 1.00 0.00 C ATOM 96 CG LEU A 9 -8.616 7.457 -6.273 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.424 6.752 -5.179 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.372 8.692 -6.779 1.00 0.00 C ATOM 0 H LEU A 9 -6.399 9.934 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.120 9.138 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.576 8.019 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.771 6.904 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.500 6.779 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.424 6.530 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.926 5.823 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.498 7.401 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.369 8.399 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.456 9.422 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.829 9.134 -7.615 1.00 0.00 H new ATOM 99 N PHE A 10 -4.902 8.597 -3.851 1.00 0.00 N ATOM 100 CA PHE A 10 -3.903 8.459 -2.803 1.00 0.00 C ATOM 101 C PHE A 10 -4.159 9.503 -1.719 1.00 0.00 C ATOM 102 O PHE A 10 -4.304 9.163 -0.542 1.00 0.00 O ATOM 103 CB PHE A 10 -2.493 8.591 -3.392 1.00 0.00 C ATOM 104 CG PHE A 10 -1.386 8.453 -2.370 1.00 0.00 C ATOM 105 CD1 PHE A 10 -0.917 7.177 -2.011 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.872 9.594 -1.725 1.00 0.00 C ATOM 107 CE1 PHE A 10 0.014 7.039 -0.965 1.00 0.00 C ATOM 108 CE2 PHE A 10 0.055 9.453 -0.677 1.00 0.00 C ATOM 109 CZ PHE A 10 0.465 8.173 -0.270 1.00 0.00 C ATOM 0 H PHE A 10 -4.507 8.637 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.977 7.470 -2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.359 7.832 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.404 9.561 -3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.271 6.303 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.190 10.578 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.382 6.060 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.452 10.329 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.126 8.061 0.576 1.00 0.00 H new ATOM 110 N LYS A 11 -4.259 10.771 -2.129 1.00 0.00 N ATOM 111 CA LYS A 11 -4.496 11.867 -1.206 1.00 0.00 C ATOM 112 C LYS A 11 -5.791 11.696 -0.401 1.00 0.00 C ATOM 113 O LYS A 11 -5.806 12.027 0.781 1.00 0.00 O ATOM 114 CB LYS A 11 -4.405 13.220 -1.926 1.00 0.00 C ATOM 115 CG LYS A 11 -2.925 13.605 -2.095 1.00 0.00 C ATOM 116 CD LYS A 11 -2.737 14.990 -2.721 1.00 0.00 C ATOM 117 CE LYS A 11 -3.004 14.946 -4.229 1.00 0.00 C ATOM 118 NZ LYS A 11 -2.827 16.269 -4.861 1.00 0.00 N ATOM 0 H LYS A 11 -4.178 11.058 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.699 11.848 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.891 13.161 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.929 13.986 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.436 13.583 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.430 12.860 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.413 15.703 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.722 15.343 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.330 14.228 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.019 14.592 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.017 16.195 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.488 16.949 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.851 16.596 -4.714 1.00 0.00 H new ATOM 119 N THR A 12 -6.866 11.179 -1.002 1.00 0.00 N ATOM 120 CA THR A 12 -8.147 11.045 -0.317 1.00 0.00 C ATOM 121 C THR A 12 -8.332 9.674 0.347 1.00 0.00 C ATOM 122 O THR A 12 -9.420 9.403 0.854 1.00 0.00 O ATOM 123 CB THR A 12 -9.287 11.368 -1.294 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.199 10.550 -2.443 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.233 12.839 -1.722 1.00 0.00 C ATOM 0 H THR A 12 -6.870 10.846 -1.966 1.00 0.00 H new ATOM 0 HA THR A 12 -8.166 11.764 0.502 1.00 0.00 H new ATOM 0 HB THR A 12 -10.230 11.177 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.489 10.885 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.049 13.047 -2.414 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.330 13.477 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.281 13.040 -2.213 1.00 0.00 H new ATOM 126 N ARG A 13 -7.311 8.804 0.360 1.00 0.00 N ATOM 127 CA ARG A 13 -7.429 7.470 0.945 1.00 0.00 C ATOM 128 C ARG A 13 -6.173 7.063 1.702 1.00 0.00 C ATOM 129 O ARG A 13 -6.232 6.743 2.884 1.00 0.00 O ATOM 130 CB ARG A 13 -7.722 6.427 -0.142 1.00 0.00 C ATOM 131 CG ARG A 13 -9.075 6.682 -0.813 1.00 0.00 C ATOM 132 CD ARG A 13 -9.412 5.482 -1.698 1.00 0.00 C ATOM 133 NE ARG A 13 -10.765 5.583 -2.265 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.899 5.259 -1.620 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.849 4.848 -0.349 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.076 5.348 -2.252 1.00 0.00 N ATOM 0 H ARG A 13 -6.391 9.007 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.257 7.510 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.932 6.450 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.715 5.430 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.850 6.827 -0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.036 7.593 -1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.684 5.411 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.330 4.565 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.850 5.926 -3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.951 4.781 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.709 4.602 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.112 5.661 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.937 5.102 -1.763 1.00 0.00 H new ATOM 137 N CYS A 14 -5.044 6.989 1.002 1.00 0.00 N ATOM 138 CA CYS A 14 -3.851 6.347 1.524 1.00 0.00 C ATOM 139 C CYS A 14 -3.130 7.340 2.425 1.00 0.00 C ATOM 140 O CYS A 14 -2.813 7.022 3.569 1.00 0.00 O ATOM 141 CB CYS A 14 -2.968 5.863 0.401 1.00 0.00 C ATOM 142 SG CYS A 14 -3.850 5.012 -0.944 1.00 0.00 S ATOM 0 H CYS A 14 -4.935 7.371 0.063 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.121 5.467 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.433 6.716 -0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.219 5.186 0.812 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.989 4.458 -1.745 1.00 0.00 H new ATOM 143 N LEU A 15 -2.931 8.563 1.919 1.00 0.00 N ATOM 144 CA LEU A 15 -2.282 9.673 2.612 1.00 0.00 C ATOM 145 C LEU A 15 -2.799 9.831 4.042 1.00 0.00 C ATOM 146 O LEU A 15 -2.028 10.193 4.929 1.00 0.00 O ATOM 147 CB LEU A 15 -2.524 10.955 1.807 1.00 0.00 C ATOM 148 CG LEU A 15 -1.871 12.226 2.371 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.557 12.527 1.648 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.824 13.422 2.255 1.00 0.00 C ATOM 0 H LEU A 15 -3.232 8.812 0.977 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.214 9.469 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.158 10.800 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.599 11.121 1.736 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.655 12.054 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.112 13.431 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.130 11.691 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.752 12.674 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.342 14.312 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.072 13.589 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.736 13.216 2.816 1.00 0.00 H new ATOM 151 N GLN A 16 -4.088 9.569 4.272 1.00 0.00 N ATOM 152 CA GLN A 16 -4.683 9.492 5.600 1.00 0.00 C ATOM 153 C GLN A 16 -3.725 8.811 6.588 1.00 0.00 C ATOM 154 O GLN A 16 -3.357 9.391 7.608 1.00 0.00 O ATOM 155 CB GLN A 16 -6.006 8.717 5.487 1.00 0.00 C ATOM 156 CG GLN A 16 -6.798 8.676 6.801 1.00 0.00 C ATOM 157 CD GLN A 16 -8.077 7.848 6.679 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.341 7.215 5.663 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.896 7.840 7.727 1.00 0.00 N ATOM 0 H GLN A 16 -4.758 9.402 3.521 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.875 10.494 5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.622 9.174 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.796 7.697 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.171 8.258 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.053 9.692 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.659 8.373 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.761 7.301 7.694 1.00 0.00 H new ATOM 160 N CYS A 17 -3.317 7.584 6.260 1.00 0.00 N ATOM 161 CA CYS A 17 -2.606 6.680 7.155 1.00 0.00 C ATOM 162 C CYS A 17 -1.122 6.577 6.800 1.00 0.00 C ATOM 163 O CYS A 17 -0.288 6.362 7.684 1.00 0.00 O ATOM 164 CB CYS A 17 -3.244 5.318 7.071 1.00 0.00 C ATOM 165 SG CYS A 17 -4.876 5.331 7.871 1.00 0.00 S ATOM 0 H CYS A 17 -3.479 7.183 5.336 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.672 7.075 8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.346 5.021 6.027 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.603 4.579 7.551 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.410 4.149 7.786 1.00 0.00 H new ATOM 166 N HIS A 18 -0.816 6.691 5.508 1.00 0.00 N ATOM 167 CA HIS A 18 0.481 6.452 4.897 1.00 0.00 C ATOM 168 C HIS A 18 1.169 7.747 4.471 1.00 0.00 C ATOM 169 O HIS A 18 0.646 8.854 4.624 1.00 0.00 O ATOM 170 CB HIS A 18 0.275 5.557 3.666 1.00 0.00 C ATOM 171 CG HIS A 18 -0.005 4.127 4.014 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.962 3.165 4.159 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.220 3.501 3.994 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.347 1.978 4.210 1.00 0.00 C ATOM 175 NE2 HIS A 18 -0.982 2.129 4.120 1.00 0.00 N ATOM 0 H HIS A 18 -1.516 6.971 4.821 1.00 0.00 H new ATOM 0 HA HIS A 18 1.124 5.972 5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.553 5.949 3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.165 5.604 3.038 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.968 3.326 4.217 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.184 3.978 3.899 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.852 1.029 4.310 1.00 0.00 H new ATOM 176 N THR A 19 2.362 7.557 3.911 1.00 0.00 N ATOM 177 CA THR A 19 3.204 8.526 3.241 1.00 0.00 C ATOM 178 C THR A 19 3.855 7.797 2.059 1.00 0.00 C ATOM 179 O THR A 19 3.921 6.567 2.064 1.00 0.00 O ATOM 180 CB THR A 19 4.264 9.029 4.233 1.00 0.00 C ATOM 181 OG1 THR A 19 4.862 7.918 4.876 1.00 0.00 O ATOM 182 CG2 THR A 19 3.622 9.924 5.299 1.00 0.00 C ATOM 0 H THR A 19 2.796 6.634 3.920 1.00 0.00 H new ATOM 0 HA THR A 19 2.641 9.389 2.884 1.00 0.00 H new ATOM 0 HB THR A 19 5.011 9.603 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.886 8.074 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.388 10.271 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.152 10.782 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.868 9.356 5.845 1.00 0.00 H new ATOM 183 N VAL A 20 4.295 8.534 1.034 1.00 0.00 N ATOM 184 CA VAL A 20 4.964 7.981 -0.144 1.00 0.00 C ATOM 185 C VAL A 20 6.345 8.609 -0.365 1.00 0.00 C ATOM 186 O VAL A 20 7.244 7.959 -0.890 1.00 0.00 O ATOM 187 CB VAL A 20 4.031 8.121 -1.359 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.898 9.561 -1.873 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.449 7.193 -2.504 1.00 0.00 C ATOM 0 H VAL A 20 4.194 9.548 1.001 1.00 0.00 H new ATOM 0 HA VAL A 20 5.161 6.920 0.012 1.00 0.00 H new ATOM 0 HB VAL A 20 3.048 7.821 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.225 9.581 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.497 10.194 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.878 9.932 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.766 7.321 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.463 7.439 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.416 6.158 -2.164 1.00 0.00 H new ATOM 190 N GLU A 21 6.525 9.873 0.025 1.00 0.00 N ATOM 191 CA GLU A 21 7.773 10.598 -0.155 1.00 0.00 C ATOM 192 C GLU A 21 8.767 10.198 0.939 1.00 0.00 C ATOM 193 O GLU A 21 8.398 10.129 2.116 1.00 0.00 O ATOM 194 CB GLU A 21 7.477 12.101 -0.107 1.00 0.00 C ATOM 195 CG GLU A 21 6.434 12.511 -1.159 1.00 0.00 C ATOM 196 CD GLU A 21 6.119 13.999 -1.098 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.023 14.507 0.040 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.959 14.591 -2.186 1.00 0.00 O ATOM 0 H GLU A 21 5.796 10.423 0.479 1.00 0.00 H new ATOM 0 HA GLU A 21 8.219 10.353 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.116 12.369 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.399 12.659 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.803 12.259 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.519 11.940 -1.004 1.00 0.00 H new ATOM 216 N PRO A 25 6.945 9.993 7.829 1.00 0.00 N ATOM 217 CA PRO A 25 7.134 8.847 8.711 1.00 0.00 C ATOM 218 C PRO A 25 6.021 7.796 8.571 1.00 0.00 C ATOM 219 O PRO A 25 5.013 8.016 7.899 1.00 0.00 O ATOM 220 CB PRO A 25 7.205 9.437 10.124 1.00 0.00 C ATOM 221 CG PRO A 25 6.378 10.717 10.015 1.00 0.00 C ATOM 222 CD PRO A 25 6.683 11.199 8.597 1.00 0.00 C ATOM 0 HA PRO A 25 8.042 8.300 8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.792 8.754 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.233 9.647 10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.315 10.524 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.671 11.453 10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.843 11.755 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.544 11.867 8.586 1.00 0.00 H new ATOM 223 N HIS A 26 6.216 6.649 9.233 1.00 0.00 N ATOM 224 CA HIS A 26 5.304 5.507 9.225 1.00 0.00 C ATOM 225 C HIS A 26 4.125 5.802 10.161 1.00 0.00 C ATOM 226 O HIS A 26 3.992 5.170 11.204 1.00 0.00 O ATOM 227 CB HIS A 26 6.058 4.219 9.634 1.00 0.00 C ATOM 228 CG HIS A 26 7.355 3.985 8.894 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.564 3.102 7.858 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.549 4.614 9.137 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.835 3.249 7.449 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.476 4.157 8.199 1.00 0.00 N ATOM 0 H HIS A 26 7.043 6.489 9.808 1.00 0.00 H new ATOM 0 HA HIS A 26 4.913 5.346 8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.268 4.261 10.703 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.403 3.363 9.471 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.739 5.336 9.917 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.281 2.709 6.627 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.447 4.454 8.103 1.00 0.00 H new ATOM 233 N LYS A 27 3.314 6.806 9.808 1.00 0.00 N ATOM 234 CA LYS A 27 2.286 7.399 10.654 1.00 0.00 C ATOM 235 C LYS A 27 1.361 6.343 11.272 1.00 0.00 C ATOM 236 O LYS A 27 1.473 6.026 12.453 1.00 0.00 O ATOM 237 CB LYS A 27 1.473 8.380 9.813 1.00 0.00 C ATOM 238 CG LYS A 27 2.220 9.651 9.404 1.00 0.00 C ATOM 239 CD LYS A 27 1.237 10.622 8.735 1.00 0.00 C ATOM 240 CE LYS A 27 0.393 9.908 7.662 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.282 10.835 6.739 1.00 0.00 N ATOM 0 H LYS A 27 3.362 7.241 8.887 1.00 0.00 H new ATOM 0 HA LYS A 27 2.775 7.913 11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.134 7.869 8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.582 8.664 10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.673 10.118 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.031 9.406 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.580 11.056 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.788 11.445 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.036 9.240 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.356 9.286 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.962 10.309 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.786 11.563 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.424 11.290 6.126 1.00 0.00 H new ATOM 242 N VAL A 28 0.413 5.836 10.475 1.00 0.00 N ATOM 243 CA VAL A 28 -0.426 4.703 10.832 1.00 0.00 C ATOM 244 C VAL A 28 0.013 3.515 9.990 1.00 0.00 C ATOM 245 O VAL A 28 0.209 2.434 10.537 1.00 0.00 O ATOM 246 CB VAL A 28 -1.910 5.047 10.633 1.00 0.00 C ATOM 247 CG1 VAL A 28 -2.815 3.814 10.733 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.355 6.044 11.699 1.00 0.00 C ATOM 0 H VAL A 28 0.210 6.213 9.549 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.312 4.451 11.886 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.004 5.467 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.853 4.112 10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.532 3.092 9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.704 3.360 11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.408 6.285 11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.215 5.606 12.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.760 6.953 11.618 1.00 0.00 H new ATOM 249 N GLY A 29 0.170 3.713 8.679 1.00 0.00 N ATOM 250 CA GLY A 29 0.725 2.729 7.765 1.00 0.00 C ATOM 251 C GLY A 29 2.162 3.127 7.421 1.00 0.00 C ATOM 252 O GLY A 29 2.525 4.293 7.579 1.00 0.00 O ATOM 0 H GLY A 29 -0.093 4.585 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.707 1.739 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.122 2.674 6.859 1.00 0.00 H new ATOM 253 N PRO A 30 3.001 2.182 6.970 1.00 0.00 N ATOM 254 CA PRO A 30 4.393 2.462 6.666 1.00 0.00 C ATOM 255 C PRO A 30 4.541 3.300 5.399 1.00 0.00 C ATOM 256 O PRO A 30 3.668 3.300 4.536 1.00 0.00 O ATOM 257 CB PRO A 30 5.070 1.098 6.520 1.00 0.00 C ATOM 258 CG PRO A 30 3.923 0.193 6.070 1.00 0.00 C ATOM 259 CD PRO A 30 2.710 0.770 6.800 1.00 0.00 C ATOM 0 HA PRO A 30 4.856 3.053 7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.876 1.124 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.506 0.761 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.791 0.219 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.100 -0.847 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.797 0.623 6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.561 0.281 7.762 1.00 0.00 H new ATOM 260 N ASN A 31 5.667 4.004 5.276 1.00 0.00 N ATOM 261 CA ASN A 31 5.967 4.784 4.083 1.00 0.00 C ATOM 262 C ASN A 31 6.078 3.856 2.866 1.00 0.00 C ATOM 263 O ASN A 31 6.796 2.861 2.924 1.00 0.00 O ATOM 264 CB ASN A 31 7.259 5.576 4.299 1.00 0.00 C ATOM 265 CG ASN A 31 7.542 6.507 3.125 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.797 6.053 2.016 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.517 7.813 3.357 1.00 0.00 N ATOM 0 H ASN A 31 6.389 4.047 5.996 1.00 0.00 H new ATOM 0 HA ASN A 31 5.160 5.492 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.182 6.158 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.093 4.887 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.713 8.469 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.301 8.161 4.291 1.00 0.00 H new ATOM 268 N LEU A 32 5.363 4.168 1.781 1.00 0.00 N ATOM 269 CA LEU A 32 5.230 3.309 0.608 1.00 0.00 C ATOM 270 C LEU A 32 6.234 3.661 -0.502 1.00 0.00 C ATOM 271 O LEU A 32 6.047 3.268 -1.653 1.00 0.00 O ATOM 272 CB LEU A 32 3.771 3.374 0.111 1.00 0.00 C ATOM 273 CG LEU A 32 2.745 2.896 1.157 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.327 2.998 0.584 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.995 1.446 1.592 1.00 0.00 C ATOM 0 H LEU A 32 4.850 5.046 1.695 1.00 0.00 H new ATOM 0 HA LEU A 32 5.470 2.285 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.537 4.400 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.674 2.764 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 32 2.854 3.541 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.608 2.658 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.115 4.034 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.249 2.374 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.248 1.153 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.926 0.789 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.989 1.364 2.031 1.00 0.00 H new ATOM 276 N HIS A 33 7.317 4.377 -0.191 1.00 0.00 N ATOM 277 CA HIS A 33 8.376 4.625 -1.158 1.00 0.00 C ATOM 278 C HIS A 33 9.024 3.309 -1.598 1.00 0.00 C ATOM 279 O HIS A 33 9.251 2.427 -0.774 1.00 0.00 O ATOM 280 CB HIS A 33 9.452 5.516 -0.543 1.00 0.00 C ATOM 281 CG HIS A 33 10.552 5.822 -1.518 1.00 0.00 C ATOM 282 ND1 HIS A 33 11.829 5.314 -1.471 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.487 6.712 -2.557 1.00 0.00 C ATOM 284 CE1 HIS A 33 12.535 5.929 -2.432 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.769 6.800 -3.106 1.00 0.00 N ATOM 0 H HIS A 33 7.479 4.794 0.726 1.00 0.00 H new ATOM 0 HA HIS A 33 7.932 5.119 -2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.000 6.447 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.872 5.025 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.609 7.246 -2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.580 5.747 -2.636 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.065 7.408 -3.870 1.00 0.00 H new ATOM 286 N GLY A 34 9.355 3.184 -2.888 1.00 0.00 N ATOM 287 CA GLY A 34 10.076 2.032 -3.423 1.00 0.00 C ATOM 288 C GLY A 34 9.388 0.688 -3.169 1.00 0.00 C ATOM 289 O GLY A 34 10.021 -0.354 -3.300 1.00 0.00 O ATOM 0 H GLY A 34 9.127 3.886 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.204 2.165 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.073 2.006 -2.984 1.00 0.00 H new ATOM 290 N ILE A 35 8.101 0.701 -2.819 1.00 0.00 N ATOM 291 CA ILE A 35 7.364 -0.481 -2.387 1.00 0.00 C ATOM 292 C ILE A 35 7.325 -1.538 -3.498 1.00 0.00 C ATOM 293 O ILE A 35 7.522 -2.725 -3.244 1.00 0.00 O ATOM 294 CB ILE A 35 5.974 -0.031 -1.896 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.091 -1.159 -1.351 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.159 0.666 -2.981 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.492 -1.554 0.058 1.00 0.00 C ATOM 0 H ILE A 35 7.534 1.549 -2.829 1.00 0.00 H new ATOM 0 HA ILE A 35 7.865 -0.972 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 35 6.224 0.655 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.049 -0.840 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.163 -2.027 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.190 0.960 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.693 1.552 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.011 -0.015 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.843 -2.356 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.527 -1.897 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.395 -0.693 0.719 1.00 0.00 H new ATOM 298 N PHE A 36 7.088 -1.099 -4.737 1.00 0.00 N ATOM 299 CA PHE A 36 7.019 -1.957 -5.905 1.00 0.00 C ATOM 300 C PHE A 36 8.364 -2.648 -6.126 1.00 0.00 C ATOM 301 O PHE A 36 9.294 -2.055 -6.668 1.00 0.00 O ATOM 302 CB PHE A 36 6.555 -1.159 -7.129 1.00 0.00 C ATOM 303 CG PHE A 36 5.065 -0.874 -7.097 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.570 0.215 -6.358 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.164 -1.841 -7.585 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.206 0.299 -6.054 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.789 -1.726 -7.318 1.00 0.00 C ATOM 308 CZ PHE A 36 2.309 -0.659 -6.544 1.00 0.00 C ATOM 0 H PHE A 36 6.936 -0.114 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 36 6.278 -2.739 -5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.102 -0.217 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.798 -1.714 -8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.244 0.989 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.531 -2.674 -8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.843 1.108 -5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.101 -2.460 -7.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.254 -0.577 -6.327 1.00 0.00 H new ATOM 309 N GLY A 37 8.443 -3.909 -5.707 1.00 0.00 N ATOM 310 CA GLY A 37 9.617 -4.756 -5.809 1.00 0.00 C ATOM 311 C GLY A 37 10.445 -4.752 -4.527 1.00 0.00 C ATOM 312 O GLY A 37 11.623 -5.114 -4.559 1.00 0.00 O ATOM 0 H GLY A 37 7.654 -4.384 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.308 -5.776 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.236 -4.418 -6.640 1.00 0.00 H new ATOM 313 N ARG A 38 9.869 -4.345 -3.392 1.00 0.00 N ATOM 314 CA ARG A 38 10.472 -4.491 -2.075 1.00 0.00 C ATOM 315 C ARG A 38 9.535 -5.364 -1.245 1.00 0.00 C ATOM 316 O ARG A 38 8.386 -4.992 -1.024 1.00 0.00 O ATOM 317 CB ARG A 38 10.698 -3.116 -1.424 1.00 0.00 C ATOM 318 CG ARG A 38 12.164 -2.664 -1.510 1.00 0.00 C ATOM 319 CD ARG A 38 12.596 -2.227 -2.917 1.00 0.00 C ATOM 320 NE ARG A 38 14.056 -2.304 -3.080 1.00 0.00 N ATOM 321 CZ ARG A 38 14.755 -3.371 -3.506 1.00 0.00 C ATOM 322 NH1 ARG A 38 14.142 -4.491 -3.909 1.00 0.00 N ATOM 323 NH2 ARG A 38 16.092 -3.316 -3.523 1.00 0.00 N ATOM 0 H ARG A 38 8.953 -3.897 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 38 11.453 -4.961 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.063 -2.377 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.394 -3.157 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.320 -1.836 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.806 -3.481 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.112 -2.860 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.261 -1.206 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 38 14.590 -1.467 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.124 -4.548 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.693 -5.288 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.572 -2.470 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.631 -4.120 -3.844 1.00 0.00 H new ATOM 324 N GLN A 39 10.024 -6.530 -0.804 1.00 0.00 N ATOM 325 CA GLN A 39 9.217 -7.507 -0.113 1.00 0.00 C ATOM 326 C GLN A 39 8.561 -6.903 1.134 1.00 0.00 C ATOM 327 O GLN A 39 9.110 -6.000 1.766 1.00 0.00 O ATOM 328 CB GLN A 39 10.082 -8.704 0.276 1.00 0.00 C ATOM 329 CG GLN A 39 10.849 -9.333 -0.898 1.00 0.00 C ATOM 330 CD GLN A 39 11.415 -10.700 -0.528 1.00 0.00 C ATOM 331 OE1 GLN A 39 12.624 -10.869 -0.415 1.00 0.00 O ATOM 332 NE2 GLN A 39 10.548 -11.694 -0.351 1.00 0.00 N ATOM 0 H GLN A 39 10.997 -6.810 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 39 8.423 -7.834 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.797 -8.390 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.447 -9.465 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.184 -9.433 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.661 -8.671 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.548 -11.522 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.884 -12.628 -0.114 1.00 0.00 H new ATOM 333 N SER A 40 7.390 -7.425 1.479 1.00 0.00 N ATOM 334 CA SER A 40 6.532 -6.928 2.535 1.00 0.00 C ATOM 335 C SER A 40 7.233 -7.057 3.887 1.00 0.00 C ATOM 336 O SER A 40 8.070 -7.939 4.069 1.00 0.00 O ATOM 337 CB SER A 40 5.190 -7.674 2.456 1.00 0.00 C ATOM 338 OG SER A 40 5.303 -9.012 2.896 1.00 0.00 O ATOM 0 H SER A 40 7.001 -8.241 1.007 1.00 0.00 H new ATOM 0 HA SER A 40 6.325 -5.865 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.449 -7.154 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.827 -7.659 1.428 1.00 0.00 H new ATOM 0 HG SER A 40 5.063 -9.066 3.845 1.00 0.00 H new ATOM 339 N GLY A 41 6.910 -6.178 4.839 1.00 0.00 N ATOM 340 CA GLY A 41 7.445 -6.328 6.184 1.00 0.00 C ATOM 341 C GLY A 41 8.959 -6.078 6.251 1.00 0.00 C ATOM 342 O GLY A 41 9.682 -6.913 6.788 1.00 0.00 O ATOM 0 H GLY A 41 6.295 -5.375 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.936 -5.633 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.231 -7.334 6.546 1.00 0.00 H new ATOM 370 N TYR A 46 9.006 0.379 13.055 1.00 0.00 N ATOM 371 CA TYR A 46 7.585 0.676 12.991 1.00 0.00 C ATOM 372 C TYR A 46 6.815 -0.544 13.517 1.00 0.00 C ATOM 373 O TYR A 46 7.353 -1.650 13.551 1.00 0.00 O ATOM 374 CB TYR A 46 7.229 1.046 11.543 1.00 0.00 C ATOM 375 CG TYR A 46 5.775 0.882 11.172 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.812 1.819 11.592 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.381 -0.247 10.438 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.454 1.617 11.290 1.00 0.00 C ATOM 379 CE2 TYR A 46 4.043 -0.391 10.062 1.00 0.00 C ATOM 380 CZ TYR A 46 3.070 0.491 10.544 1.00 0.00 C ATOM 381 OH TYR A 46 1.769 0.277 10.215 1.00 0.00 O ATOM 0 HA TYR A 46 7.310 1.527 13.615 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.516 2.083 11.370 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.829 0.433 10.871 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.117 2.694 12.147 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.107 -0.999 10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.711 2.323 11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.758 -1.190 9.394 1.00 0.00 H new ATOM 0 HH TYR A 46 1.236 1.062 10.459 1.00 0.00 H new ATOM 382 N SER A 47 5.572 -0.337 13.965 1.00 0.00 N ATOM 383 CA SER A 47 4.713 -1.363 14.529 1.00 0.00 C ATOM 384 C SER A 47 4.204 -2.287 13.420 1.00 0.00 C ATOM 385 O SER A 47 3.155 -2.012 12.838 1.00 0.00 O ATOM 386 CB SER A 47 3.549 -0.654 15.226 1.00 0.00 C ATOM 387 OG SER A 47 3.001 0.298 14.333 1.00 0.00 O ATOM 0 H SER A 47 5.130 0.582 13.941 1.00 0.00 H new ATOM 0 HA SER A 47 5.258 -1.979 15.244 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.789 -1.377 15.522 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.895 -0.164 16.136 1.00 0.00 H new ATOM 0 HG SER A 47 2.869 -0.116 13.454 1.00 0.00 H new ATOM 388 N TYR A 48 4.955 -3.351 13.131 1.00 0.00 N ATOM 389 CA TYR A 48 4.670 -4.313 12.079 1.00 0.00 C ATOM 390 C TYR A 48 3.983 -5.576 12.613 1.00 0.00 C ATOM 391 O TYR A 48 3.565 -5.610 13.769 1.00 0.00 O ATOM 392 CB TYR A 48 6.008 -4.660 11.421 1.00 0.00 C ATOM 393 CG TYR A 48 6.316 -3.978 10.110 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.330 -3.707 9.134 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.668 -3.897 9.762 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.707 -3.244 7.863 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.024 -3.642 8.440 1.00 0.00 C ATOM 398 CZ TYR A 48 7.064 -3.226 7.503 1.00 0.00 C ATOM 399 OH TYR A 48 7.439 -3.023 6.205 1.00 0.00 O ATOM 0 H TYR A 48 5.808 -3.569 13.645 1.00 0.00 H new ATOM 0 HA TYR A 48 3.974 -3.879 11.361 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.805 -4.421 12.125 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.038 -5.738 11.259 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.286 -3.856 9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.431 -4.031 10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.956 -2.903 7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.052 -3.766 8.131 1.00 0.00 H new ATOM 0 HH TYR A 48 8.417 -3.041 6.140 1.00 0.00 H new ATOM 400 N THR A 49 3.878 -6.619 11.771 1.00 0.00 N ATOM 401 CA THR A 49 3.203 -7.867 12.113 1.00 0.00 C ATOM 402 C THR A 49 4.000 -9.107 11.692 1.00 0.00 C ATOM 403 O THR A 49 4.549 -9.163 10.589 1.00 0.00 O ATOM 404 CB THR A 49 1.801 -7.899 11.485 1.00 0.00 C ATOM 405 OG1 THR A 49 1.846 -7.799 10.072 1.00 0.00 O ATOM 406 CG2 THR A 49 0.956 -6.744 11.989 1.00 0.00 C ATOM 0 H THR A 49 4.265 -6.612 10.827 1.00 0.00 H new ATOM 0 HA THR A 49 3.120 -7.897 13.199 1.00 0.00 H new ATOM 0 HB THR A 49 1.366 -8.856 11.773 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.934 -7.825 9.713 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.032 -6.788 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.856 -6.812 13.072 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.436 -5.801 11.727 1.00 0.00 H new ATOM 407 N ASP A 50 3.985 -10.135 12.554 1.00 0.00 N ATOM 408 CA ASP A 50 4.373 -11.495 12.185 1.00 0.00 C ATOM 409 C ASP A 50 3.598 -11.911 10.945 1.00 0.00 C ATOM 410 O ASP A 50 4.164 -12.417 9.987 1.00 0.00 O ATOM 411 CB ASP A 50 4.052 -12.481 13.306 1.00 0.00 C ATOM 412 CG ASP A 50 4.394 -13.911 12.877 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.586 -14.270 12.969 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.461 -14.617 12.438 1.00 0.00 O ATOM 0 H ASP A 50 3.701 -10.041 13.529 1.00 0.00 H new ATOM 0 HA ASP A 50 5.447 -11.507 11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.616 -12.219 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.995 -12.415 13.564 1.00 0.00 H new ATOM 415 N ALA A 51 2.289 -11.654 10.979 1.00 0.00 N ATOM 416 CA ALA A 51 1.389 -11.904 9.867 1.00 0.00 C ATOM 417 C ALA A 51 1.976 -11.371 8.558 1.00 0.00 C ATOM 418 O ALA A 51 2.129 -12.142 7.611 1.00 0.00 O ATOM 419 CB ALA A 51 0.015 -11.299 10.152 1.00 0.00 C ATOM 0 H ALA A 51 1.823 -11.260 11.796 1.00 0.00 H new ATOM 0 HA ALA A 51 1.267 -12.981 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.650 -11.494 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.400 -11.748 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.114 -10.223 10.295 1.00 0.00 H new ATOM 420 N ASN A 52 2.320 -10.076 8.488 1.00 0.00 N ATOM 421 CA ASN A 52 2.956 -9.556 7.279 1.00 0.00 C ATOM 422 C ASN A 52 4.240 -10.329 6.956 1.00 0.00 C ATOM 423 O ASN A 52 4.379 -10.820 5.840 1.00 0.00 O ATOM 424 CB ASN A 52 3.173 -8.045 7.403 1.00 0.00 C ATOM 425 CG ASN A 52 3.745 -7.385 6.147 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.474 -7.996 5.371 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.401 -6.118 5.932 1.00 0.00 N ATOM 0 H ASN A 52 2.173 -9.393 9.231 1.00 0.00 H new ATOM 0 HA ASN A 52 2.292 -9.710 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.222 -7.572 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.847 -7.854 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.745 -5.630 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.794 -5.635 6.594 1.00 0.00 H new ATOM 428 N ILE A 53 5.150 -10.490 7.924 1.00 0.00 N ATOM 429 CA ILE A 53 6.405 -11.214 7.712 1.00 0.00 C ATOM 430 C ILE A 53 6.161 -12.603 7.097 1.00 0.00 C ATOM 431 O ILE A 53 6.662 -12.907 6.018 1.00 0.00 O ATOM 432 CB ILE A 53 7.223 -11.273 9.020 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.691 -9.857 9.404 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.435 -12.203 8.864 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.299 -9.791 10.810 1.00 0.00 C ATOM 0 H ILE A 53 5.037 -10.124 8.869 1.00 0.00 H new ATOM 0 HA ILE A 53 7.002 -10.665 6.984 1.00 0.00 H new ATOM 0 HB ILE A 53 6.586 -11.671 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.428 -9.514 8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.845 -9.172 9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.996 -12.229 9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.093 -13.208 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.077 -11.833 8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.610 -8.769 11.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.556 -10.105 11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.164 -10.452 10.864 1.00 0.00 H new ATOM 436 N LYS A 54 5.386 -13.469 7.752 1.00 0.00 N ATOM 437 CA LYS A 54 5.067 -14.787 7.220 1.00 0.00 C ATOM 438 C LYS A 54 4.380 -14.697 5.856 1.00 0.00 C ATOM 439 O LYS A 54 4.516 -15.614 5.048 1.00 0.00 O ATOM 440 CB LYS A 54 4.216 -15.593 8.207 1.00 0.00 C ATOM 441 CG LYS A 54 5.059 -16.109 9.381 1.00 0.00 C ATOM 442 CD LYS A 54 4.318 -17.240 10.106 1.00 0.00 C ATOM 443 CE LYS A 54 5.281 -18.005 11.023 1.00 0.00 C ATOM 444 NZ LYS A 54 4.629 -19.170 11.653 1.00 0.00 N ATOM 0 H LYS A 54 4.966 -13.274 8.661 1.00 0.00 H new ATOM 0 HA LYS A 54 6.011 -15.313 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.406 -14.969 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.756 -16.435 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.021 -16.469 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.265 -15.295 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.496 -16.828 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.879 -17.922 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.144 -18.339 10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.655 -17.335 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.312 -19.661 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.821 -18.849 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.294 -19.822 10.915 1.00 0.00 H new ATOM 445 N LYS A 55 3.670 -13.600 5.580 1.00 0.00 N ATOM 446 CA LYS A 55 3.074 -13.339 4.281 1.00 0.00 C ATOM 447 C LYS A 55 4.033 -12.523 3.398 1.00 0.00 C ATOM 448 O LYS A 55 3.564 -11.763 2.558 1.00 0.00 O ATOM 449 CB LYS A 55 1.703 -12.671 4.499 1.00 0.00 C ATOM 450 CG LYS A 55 0.741 -12.665 3.294 1.00 0.00 C ATOM 451 CD LYS A 55 0.378 -14.046 2.719 1.00 0.00 C ATOM 452 CE LYS A 55 -0.457 -14.917 3.678 1.00 0.00 C ATOM 453 NZ LYS A 55 -1.894 -14.895 3.340 1.00 0.00 N ATOM 0 H LYS A 55 3.495 -12.864 6.264 1.00 0.00 H new ATOM 0 HA LYS A 55 2.904 -14.267 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.207 -13.174 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.871 -11.639 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.180 -12.163 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.188 -12.068 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.177 -13.909 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.296 -14.577 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.093 -15.944 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.320 -14.564 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.447 -15.242 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.183 -13.922 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.066 -15.506 2.517 1.00 0.00 H new ATOM 454 N ASN A 56 5.352 -12.709 3.566 1.00 0.00 N ATOM 455 CA ASN A 56 6.429 -12.185 2.716 1.00 0.00 C ATOM 456 C ASN A 56 6.002 -12.097 1.248 1.00 0.00 C ATOM 457 O ASN A 56 6.056 -13.092 0.525 1.00 0.00 O ATOM 458 CB ASN A 56 7.677 -13.088 2.807 1.00 0.00 C ATOM 459 CG ASN A 56 8.640 -12.740 3.940 1.00 0.00 C ATOM 460 OD1 ASN A 56 8.907 -11.575 4.211 1.00 0.00 O ATOM 461 ND2 ASN A 56 9.223 -13.751 4.580 1.00 0.00 N ATOM 0 H ASN A 56 5.714 -13.261 4.344 1.00 0.00 H new ATOM 0 HA ASN A 56 6.659 -11.183 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.352 -14.121 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.217 -13.034 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.907 -13.564 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.985 -14.713 4.338 1.00 0.00 H new ATOM 462 N VAL A 57 5.596 -10.908 0.804 1.00 0.00 N ATOM 463 CA VAL A 57 5.054 -10.654 -0.522 1.00 0.00 C ATOM 464 C VAL A 57 5.925 -9.612 -1.207 1.00 0.00 C ATOM 465 O VAL A 57 6.201 -8.572 -0.629 1.00 0.00 O ATOM 466 CB VAL A 57 3.586 -10.213 -0.373 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.128 -9.181 -1.410 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.706 -11.459 -0.474 1.00 0.00 C ATOM 0 H VAL A 57 5.639 -10.068 1.381 1.00 0.00 H new ATOM 0 HA VAL A 57 5.063 -11.547 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 57 3.495 -9.719 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.083 -8.926 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.740 -8.283 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.235 -9.599 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.659 -11.174 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.859 -11.935 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.971 -12.157 0.320 1.00 0.00 H new ATOM 469 N LEU A 58 6.354 -9.886 -2.440 1.00 0.00 N ATOM 470 CA LEU A 58 7.265 -9.048 -3.215 1.00 0.00 C ATOM 471 C LEU A 58 6.787 -7.594 -3.360 1.00 0.00 C ATOM 472 O LEU A 58 7.613 -6.698 -3.516 1.00 0.00 O ATOM 473 CB LEU A 58 7.472 -9.737 -4.564 1.00 0.00 C ATOM 474 CG LEU A 58 8.537 -9.080 -5.457 1.00 0.00 C ATOM 475 CD1 LEU A 58 9.385 -10.164 -6.129 1.00 0.00 C ATOM 476 CD2 LEU A 58 7.877 -8.221 -6.541 1.00 0.00 C ATOM 0 H LEU A 58 6.066 -10.726 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 58 8.213 -8.955 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.753 -10.775 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.523 -9.750 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 58 9.166 -8.445 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.139 -9.696 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.876 -10.768 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.744 -10.801 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.647 -7.765 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.235 -8.847 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.279 -7.440 -6.072 1.00 0.00 H new ATOM 477 N TRP A 59 5.466 -7.394 -3.322 1.00 0.00 N ATOM 478 CA TRP A 59 4.762 -6.151 -3.596 1.00 0.00 C ATOM 479 C TRP A 59 4.968 -5.710 -5.039 1.00 0.00 C ATOM 480 O TRP A 59 6.003 -5.159 -5.404 1.00 0.00 O ATOM 481 CB TRP A 59 5.041 -5.029 -2.587 1.00 0.00 C ATOM 482 CG TRP A 59 4.427 -5.176 -1.224 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.062 -4.912 -0.059 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.077 -5.606 -0.850 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.205 -5.138 0.996 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.001 -5.645 0.573 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.908 -5.980 -1.551 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.867 -6.098 1.261 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.784 -6.486 -0.875 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.770 -6.565 0.526 1.00 0.00 C ATOM 0 H TRP A 59 4.824 -8.150 -3.083 1.00 0.00 H new ATOM 0 HA TRP A 59 3.703 -6.371 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.121 -4.942 -2.466 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.692 -4.090 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.084 -4.576 0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.437 -4.952 1.972 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.878 -5.875 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.840 -6.087 2.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.076 -6.817 -1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.084 -6.985 1.036 1.00 0.00 H new ATOM 491 N ASP A 60 3.947 -5.959 -5.855 1.00 0.00 N ATOM 492 CA ASP A 60 3.929 -5.717 -7.280 1.00 0.00 C ATOM 493 C ASP A 60 2.512 -5.320 -7.679 1.00 0.00 C ATOM 494 O ASP A 60 1.588 -5.337 -6.865 1.00 0.00 O ATOM 495 CB ASP A 60 4.368 -6.981 -8.025 1.00 0.00 C ATOM 496 CG ASP A 60 3.448 -8.142 -7.698 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.311 -8.136 -8.222 1.00 0.00 O ATOM 498 OD2 ASP A 60 3.865 -8.972 -6.862 1.00 0.00 O ATOM 0 H ASP A 60 3.070 -6.355 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 60 4.619 -4.915 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.362 -6.797 -9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.392 -7.234 -7.751 1.00 0.00 H new ATOM 499 N GLU A 61 2.373 -4.965 -8.955 1.00 0.00 N ATOM 500 CA GLU A 61 1.163 -4.507 -9.602 1.00 0.00 C ATOM 501 C GLU A 61 -0.014 -5.464 -9.376 1.00 0.00 C ATOM 502 O GLU A 61 -1.155 -5.017 -9.278 1.00 0.00 O ATOM 503 CB GLU A 61 1.514 -4.319 -11.088 1.00 0.00 C ATOM 504 CG GLU A 61 0.862 -3.096 -11.704 1.00 0.00 C ATOM 505 CD GLU A 61 1.493 -2.750 -13.049 1.00 0.00 C ATOM 506 OE1 GLU A 61 1.660 -3.673 -13.870 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.892 -1.575 -13.212 1.00 0.00 O ATOM 0 H GLU A 61 3.162 -4.995 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 61 0.821 -3.565 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.596 -4.238 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.206 -5.205 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.205 -3.278 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.959 -2.249 -11.025 1.00 0.00 H new ATOM 508 N ASN A 62 0.242 -6.772 -9.286 1.00 0.00 N ATOM 509 CA ASN A 62 -0.807 -7.771 -9.153 1.00 0.00 C ATOM 510 C ASN A 62 -1.108 -8.003 -7.673 1.00 0.00 C ATOM 511 O ASN A 62 -2.235 -7.804 -7.215 1.00 0.00 O ATOM 512 CB ASN A 62 -0.372 -9.057 -9.860 1.00 0.00 C ATOM 513 CG ASN A 62 -1.567 -9.963 -10.121 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.029 -10.669 -9.232 1.00 0.00 O ATOM 515 ND2 ASN A 62 -2.084 -9.946 -11.347 1.00 0.00 N ATOM 0 H ASN A 62 1.184 -7.162 -9.304 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.726 -7.424 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.116 -8.811 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.362 -9.583 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.889 -10.532 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.676 -9.347 -12.064 1.00 0.00 H new ATOM 516 N ASN A 63 -0.078 -8.382 -6.913 1.00 0.00 N ATOM 517 CA ASN A 63 -0.211 -8.723 -5.501 1.00 0.00 C ATOM 518 C ASN A 63 -0.777 -7.548 -4.710 1.00 0.00 C ATOM 519 O ASN A 63 -1.672 -7.728 -3.881 1.00 0.00 O ATOM 520 CB ASN A 63 1.140 -9.159 -4.922 1.00 0.00 C ATOM 521 CG ASN A 63 1.453 -10.635 -5.182 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.603 -11.506 -5.036 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.688 -10.946 -5.553 1.00 0.00 N ATOM 0 H ASN A 63 0.876 -8.460 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.908 -9.557 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.930 -8.544 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.145 -8.976 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.940 -11.920 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.385 -10.211 -5.671 1.00 0.00 H new ATOM 524 N MET A 64 -0.270 -6.335 -4.957 1.00 0.00 N ATOM 525 CA MET A 64 -0.785 -5.169 -4.260 1.00 0.00 C ATOM 526 C MET A 64 -2.238 -4.915 -4.650 1.00 0.00 C ATOM 527 O MET A 64 -3.039 -4.562 -3.791 1.00 0.00 O ATOM 528 CB MET A 64 0.100 -3.938 -4.481 1.00 0.00 C ATOM 529 CG MET A 64 -0.265 -2.860 -3.447 1.00 0.00 C ATOM 530 SD MET A 64 0.678 -1.321 -3.513 1.00 0.00 S ATOM 531 CE MET A 64 2.354 -1.937 -3.248 1.00 0.00 C ATOM 0 H MET A 64 0.480 -6.145 -5.621 1.00 0.00 H new ATOM 0 HA MET A 64 -0.760 -5.373 -3.189 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.151 -4.209 -4.385 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.039 -3.552 -5.491 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.321 -2.618 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.147 -3.289 -2.452 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.053 -1.100 -3.244 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.404 -2.456 -2.291 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.619 -2.627 -4.049 1.00 0.00 H new ATOM 532 N SER A 65 -2.593 -5.097 -5.927 1.00 0.00 N ATOM 533 CA SER A 65 -3.973 -4.936 -6.364 1.00 0.00 C ATOM 534 C SER A 65 -4.882 -5.864 -5.558 1.00 0.00 C ATOM 535 O SER A 65 -5.895 -5.413 -5.019 1.00 0.00 O ATOM 536 CB SER A 65 -4.100 -5.157 -7.877 1.00 0.00 C ATOM 537 OG SER A 65 -5.378 -4.777 -8.358 1.00 0.00 O ATOM 0 H SER A 65 -1.942 -5.355 -6.669 1.00 0.00 H new ATOM 0 HA SER A 65 -4.294 -3.912 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.331 -4.583 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.922 -6.207 -8.107 1.00 0.00 H new ATOM 0 HG SER A 65 -5.422 -4.930 -9.325 1.00 0.00 H new ATOM 538 N GLU A 66 -4.508 -7.143 -5.449 1.00 0.00 N ATOM 539 CA GLU A 66 -5.248 -8.102 -4.639 1.00 0.00 C ATOM 540 C GLU A 66 -5.355 -7.603 -3.199 1.00 0.00 C ATOM 541 O GLU A 66 -6.453 -7.309 -2.726 1.00 0.00 O ATOM 542 CB GLU A 66 -4.582 -9.482 -4.720 1.00 0.00 C ATOM 543 CG GLU A 66 -5.266 -10.529 -3.826 1.00 0.00 C ATOM 544 CD GLU A 66 -6.772 -10.641 -4.028 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.200 -10.622 -5.200 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.465 -10.737 -2.988 1.00 0.00 O ATOM 0 H GLU A 66 -3.691 -7.535 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.262 -8.201 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.598 -9.828 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.535 -9.392 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.813 -11.502 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.069 -10.283 -2.783 1.00 0.00 H new ATOM 547 N TYR A 67 -4.211 -7.475 -2.517 1.00 0.00 N ATOM 548 CA TYR A 67 -4.151 -7.000 -1.133 1.00 0.00 C ATOM 549 C TYR A 67 -5.099 -5.824 -0.923 1.00 0.00 C ATOM 550 O TYR A 67 -5.974 -5.856 -0.062 1.00 0.00 O ATOM 551 CB TYR A 67 -2.721 -6.580 -0.767 1.00 0.00 C ATOM 552 CG TYR A 67 -2.592 -5.884 0.582 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.625 -6.645 1.759 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.504 -4.481 0.673 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.581 -6.027 3.017 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.503 -3.856 1.935 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.541 -4.631 3.109 1.00 0.00 C ATOM 558 OH TYR A 67 -2.796 -4.066 4.321 1.00 0.00 O ATOM 0 H TYR A 67 -3.298 -7.699 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.458 -7.821 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.085 -7.465 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.342 -5.915 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.685 -7.721 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.437 -3.885 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.578 -6.628 3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.473 -2.779 2.002 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.735 -3.091 4.247 1.00 0.00 H new ATOM 559 N LEU A 68 -4.934 -4.790 -1.740 1.00 0.00 N ATOM 560 CA LEU A 68 -5.642 -3.537 -1.601 1.00 0.00 C ATOM 561 C LEU A 68 -7.147 -3.694 -1.845 1.00 0.00 C ATOM 562 O LEU A 68 -7.932 -2.869 -1.374 1.00 0.00 O ATOM 563 CB LEU A 68 -4.975 -2.522 -2.534 1.00 0.00 C ATOM 564 CG LEU A 68 -5.317 -1.057 -2.259 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.868 -0.628 -0.857 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.578 -0.216 -3.305 1.00 0.00 C ATOM 0 H LEU A 68 -4.290 -4.806 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.575 -3.174 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.894 -2.645 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.257 -2.757 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.397 -0.917 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.127 0.418 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.368 -1.245 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.789 -0.753 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.796 0.840 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.505 -0.383 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.907 -0.506 -4.303 1.00 0.00 H new ATOM 567 N THR A 69 -7.573 -4.752 -2.544 1.00 0.00 N ATOM 568 CA THR A 69 -8.984 -5.104 -2.647 1.00 0.00 C ATOM 569 C THR A 69 -9.521 -5.579 -1.294 1.00 0.00 C ATOM 570 O THR A 69 -10.676 -5.307 -0.971 1.00 0.00 O ATOM 571 CB THR A 69 -9.205 -6.172 -3.732 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.604 -5.746 -4.933 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.695 -6.381 -4.022 1.00 0.00 C ATOM 0 H THR A 69 -6.950 -5.382 -3.049 1.00 0.00 H new ATOM 0 HA THR A 69 -9.538 -4.212 -2.938 1.00 0.00 H new ATOM 0 HB THR A 69 -8.770 -7.103 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.629 -5.810 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.812 -7.142 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.201 -6.705 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.133 -5.445 -4.367 1.00 0.00 H new ATOM 574 N ASN A 70 -8.712 -6.302 -0.511 1.00 0.00 N ATOM 575 CA ASN A 70 -9.151 -6.947 0.724 1.00 0.00 C ATOM 576 C ASN A 70 -7.954 -7.312 1.620 1.00 0.00 C ATOM 577 O ASN A 70 -7.526 -8.470 1.652 1.00 0.00 O ATOM 578 CB ASN A 70 -10.043 -8.162 0.412 1.00 0.00 C ATOM 579 CG ASN A 70 -9.589 -8.993 -0.788 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.343 -9.131 -1.746 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.384 -9.546 -0.748 1.00 0.00 N ATOM 0 H ASN A 70 -7.726 -6.455 -0.722 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.756 -6.238 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.078 -8.806 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.060 -7.813 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.055 -10.109 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.786 -9.408 0.067 1.00 0.00 H new ATOM 582 N PRO A 71 -7.428 -6.340 2.385 1.00 0.00 N ATOM 583 CA PRO A 71 -6.143 -6.474 3.057 1.00 0.00 C ATOM 584 C PRO A 71 -6.194 -7.546 4.144 1.00 0.00 C ATOM 585 O PRO A 71 -5.372 -8.455 4.170 1.00 0.00 O ATOM 586 CB PRO A 71 -5.806 -5.076 3.590 1.00 0.00 C ATOM 587 CG PRO A 71 -7.132 -4.320 3.619 1.00 0.00 C ATOM 588 CD PRO A 71 -7.961 -4.993 2.526 1.00 0.00 C ATOM 0 HA PRO A 71 -5.357 -6.815 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.364 -5.131 4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.082 -4.575 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.616 -4.398 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.991 -3.258 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.016 -5.018 2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.886 -4.444 1.587 1.00 0.00 H new ATOM 601 N LYS A 73 -7.825 -10.178 4.512 1.00 0.00 N ATOM 602 CA LYS A 73 -7.884 -11.561 4.062 1.00 0.00 C ATOM 603 C LYS A 73 -6.485 -11.959 3.628 1.00 0.00 C ATOM 604 O LYS A 73 -5.978 -13.025 3.973 1.00 0.00 O ATOM 605 CB LYS A 73 -8.876 -11.689 2.899 1.00 0.00 C ATOM 606 CG LYS A 73 -9.081 -13.171 2.531 1.00 0.00 C ATOM 607 CD LYS A 73 -10.074 -13.394 1.378 1.00 0.00 C ATOM 608 CE LYS A 73 -11.519 -13.633 1.843 1.00 0.00 C ATOM 609 NZ LYS A 73 -12.086 -12.476 2.560 1.00 0.00 N ATOM 0 HA LYS A 73 -8.227 -12.218 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.830 -11.241 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.505 -11.140 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.119 -13.604 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.434 -13.708 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.053 -12.526 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.746 -14.250 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.142 -13.859 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.547 -14.507 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.112 -12.605 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.643 -12.397 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.904 -11.608 2.017 1.00 0.00 H new ATOM 610 N TYR A 74 -5.882 -11.080 2.833 1.00 0.00 N ATOM 611 CA TYR A 74 -4.575 -11.313 2.261 1.00 0.00 C ATOM 612 C TYR A 74 -3.529 -11.442 3.372 1.00 0.00 C ATOM 613 O TYR A 74 -2.684 -12.335 3.305 1.00 0.00 O ATOM 614 CB TYR A 74 -4.278 -10.186 1.278 1.00 0.00 C ATOM 615 CG TYR A 74 -3.087 -10.436 0.380 1.00 0.00 C ATOM 616 CD1 TYR A 74 -1.802 -10.015 0.758 1.00 0.00 C ATOM 617 CD2 TYR A 74 -3.278 -11.032 -0.879 1.00 0.00 C ATOM 618 CE1 TYR A 74 -0.754 -10.027 -0.170 1.00 0.00 C ATOM 619 CE2 TYR A 74 -2.217 -11.084 -1.799 1.00 0.00 C ATOM 620 CZ TYR A 74 -0.962 -10.563 -1.449 1.00 0.00 C ATOM 621 OH TYR A 74 0.080 -10.684 -2.310 1.00 0.00 O ATOM 0 H TYR A 74 -6.294 -10.185 2.571 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.545 -12.254 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.158 -10.022 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.108 -9.267 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.621 -9.681 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.240 -11.450 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.212 -9.625 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.367 -11.524 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.238 -11.059 -3.158 1.00 0.00 H new ATOM 622 N ILE A 75 -3.607 -10.597 4.407 1.00 0.00 N ATOM 623 CA ILE A 75 -2.743 -10.664 5.590 1.00 0.00 C ATOM 624 C ILE A 75 -3.634 -10.893 6.819 1.00 0.00 C ATOM 625 O ILE A 75 -4.137 -9.924 7.390 1.00 0.00 O ATOM 626 CB ILE A 75 -1.849 -9.407 5.722 1.00 0.00 C ATOM 627 CG1 ILE A 75 -1.139 -9.146 4.385 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.824 -9.589 6.859 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.004 -8.132 4.430 1.00 0.00 C ATOM 0 H ILE A 75 -4.284 -9.835 4.446 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.047 -11.497 5.497 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.471 -8.547 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.747 -10.092 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.879 -8.801 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.204 -8.696 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.350 -9.749 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.192 -10.451 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.434 -8.024 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.378 -7.168 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.772 -8.480 5.121 1.00 0.00 H new ATOM 630 N PRO A 76 -3.856 -12.153 7.236 1.00 0.00 N ATOM 631 CA PRO A 76 -4.786 -12.492 8.306 1.00 0.00 C ATOM 632 C PRO A 76 -4.178 -12.181 9.679 1.00 0.00 C ATOM 633 O PRO A 76 -3.883 -13.079 10.463 1.00 0.00 O ATOM 634 CB PRO A 76 -5.095 -13.980 8.104 1.00 0.00 C ATOM 635 CG PRO A 76 -3.790 -14.519 7.525 1.00 0.00 C ATOM 636 CD PRO A 76 -3.313 -13.365 6.641 1.00 0.00 C ATOM 0 HA PRO A 76 -5.703 -11.903 8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.355 -14.470 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.933 -14.131 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.068 -14.756 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.948 -15.431 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.224 -13.327 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.664 -13.488 5.616 1.00 0.00 H new ATOM 637 N GLY A 77 -4.004 -10.892 9.964 1.00 0.00 N ATOM 638 CA GLY A 77 -3.480 -10.387 11.224 1.00 0.00 C ATOM 639 C GLY A 77 -2.792 -9.049 10.983 1.00 0.00 C ATOM 640 O GLY A 77 -1.655 -8.851 11.397 1.00 0.00 O ATOM 0 H GLY A 77 -4.232 -10.150 9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.288 -10.269 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.774 -11.100 11.650 1.00 0.00 H new ATOM 641 N THR A 78 -3.487 -8.147 10.285 1.00 0.00 N ATOM 642 CA THR A 78 -2.988 -6.840 9.888 1.00 0.00 C ATOM 643 C THR A 78 -3.708 -5.771 10.705 1.00 0.00 C ATOM 644 O THR A 78 -4.898 -5.900 10.993 1.00 0.00 O ATOM 645 CB THR A 78 -3.174 -6.653 8.372 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.655 -5.414 7.953 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.632 -6.713 7.918 1.00 0.00 C ATOM 0 H THR A 78 -4.443 -8.318 9.973 1.00 0.00 H new ATOM 0 HA THR A 78 -1.920 -6.753 10.090 1.00 0.00 H new ATOM 0 HB THR A 78 -2.636 -7.486 7.920 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.782 -5.316 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.683 -6.573 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.055 -7.683 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.200 -5.925 8.413 1.00 0.00 H new ATOM 648 N LYS A 79 -2.983 -4.719 11.079 1.00 0.00 N ATOM 649 CA LYS A 79 -3.532 -3.530 11.710 1.00 0.00 C ATOM 650 C LYS A 79 -4.503 -2.860 10.732 1.00 0.00 C ATOM 651 O LYS A 79 -5.583 -2.403 11.106 1.00 0.00 O ATOM 652 CB LYS A 79 -2.334 -2.627 12.032 1.00 0.00 C ATOM 653 CG LYS A 79 -2.565 -1.461 12.997 1.00 0.00 C ATOM 654 CD LYS A 79 -3.793 -0.576 12.742 1.00 0.00 C ATOM 655 CE LYS A 79 -3.704 0.701 13.589 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.880 1.577 13.400 1.00 0.00 N ATOM 0 H LYS A 79 -1.973 -4.673 10.947 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.087 -3.750 12.622 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.543 -3.253 12.445 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.960 -2.218 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.644 -1.867 14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.680 -0.825 12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.852 -0.318 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.703 -1.123 12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.618 0.432 14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.799 1.248 13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.778 2.427 13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.948 1.856 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.742 1.065 13.676 1.00 0.00 H new ATOM 657 N ALA A 80 -4.061 -2.756 9.479 1.00 0.00 N ATOM 658 CA ALA A 80 -4.772 -2.138 8.366 1.00 0.00 C ATOM 659 C ALA A 80 -6.260 -2.497 8.317 1.00 0.00 C ATOM 660 O ALA A 80 -6.630 -3.671 8.289 1.00 0.00 O ATOM 661 CB ALA A 80 -4.124 -2.554 7.047 1.00 0.00 C ATOM 0 H ALA A 80 -3.150 -3.120 9.201 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.703 -1.061 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.658 -2.090 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.083 -2.230 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.168 -3.638 6.946 1.00 0.00 H new ATOM 662 N ALA A 81 -7.117 -1.477 8.239 1.00 0.00 N ATOM 663 CA ALA A 81 -8.543 -1.645 8.035 1.00 0.00 C ATOM 664 C ALA A 81 -9.091 -0.398 7.348 1.00 0.00 C ATOM 665 O ALA A 81 -9.050 0.684 7.928 1.00 0.00 O ATOM 666 CB ALA A 81 -9.237 -1.886 9.380 1.00 0.00 C ATOM 0 H ALA A 81 -6.829 -0.502 8.318 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.734 -2.511 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.308 -2.011 9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.832 -2.786 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.066 -1.032 10.036 1.00 0.00 H new ATOM 667 N PHE A 82 -9.599 -0.541 6.121 1.00 0.00 N ATOM 668 CA PHE A 82 -10.313 0.510 5.417 1.00 0.00 C ATOM 669 C PHE A 82 -11.181 -0.151 4.341 1.00 0.00 C ATOM 670 O PHE A 82 -11.149 -1.375 4.186 1.00 0.00 O ATOM 671 CB PHE A 82 -9.338 1.565 4.855 1.00 0.00 C ATOM 672 CG PHE A 82 -8.782 1.274 3.473 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.743 0.342 3.303 1.00 0.00 C ATOM 674 CD2 PHE A 82 -9.364 1.881 2.344 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.343 -0.036 2.010 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.981 1.485 1.053 1.00 0.00 C ATOM 677 CZ PHE A 82 -7.989 0.508 0.883 1.00 0.00 C ATOM 0 H PHE A 82 -9.521 -1.406 5.587 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.964 1.060 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.849 2.527 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.503 1.668 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.252 -0.083 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.108 2.654 2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.539 -0.745 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.451 1.933 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.722 0.174 -0.109 1.00 0.00 H new ATOM 678 N GLY A 83 -11.965 0.649 3.615 1.00 0.00 N ATOM 679 CA GLY A 83 -12.813 0.180 2.531 1.00 0.00 C ATOM 680 C GLY A 83 -11.991 -0.320 1.341 1.00 0.00 C ATOM 681 O GLY A 83 -11.823 0.412 0.367 1.00 0.00 O ATOM 0 H GLY A 83 -12.025 1.655 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.454 -0.624 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.468 0.988 2.206 1.00 0.00 H new ATOM 682 N GLY A 84 -11.513 -1.566 1.438 1.00 0.00 N ATOM 683 CA GLY A 84 -10.873 -2.352 0.386 1.00 0.00 C ATOM 684 C GLY A 84 -11.331 -1.967 -1.028 1.00 0.00 C ATOM 685 O GLY A 84 -12.531 -1.918 -1.306 1.00 0.00 O ATOM 0 H GLY A 84 -11.569 -2.084 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.792 -2.227 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.084 -3.408 0.553 1.00 0.00 H new ATOM 686 N LEU A 85 -10.382 -1.674 -1.924 1.00 0.00 N ATOM 687 CA LEU A 85 -10.632 -1.036 -3.213 1.00 0.00 C ATOM 688 C LEU A 85 -11.256 -1.980 -4.250 1.00 0.00 C ATOM 689 O LEU A 85 -10.667 -2.276 -5.294 1.00 0.00 O ATOM 690 CB LEU A 85 -9.346 -0.364 -3.729 1.00 0.00 C ATOM 691 CG LEU A 85 -8.905 0.888 -2.963 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.826 1.660 -3.736 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.059 1.841 -2.646 1.00 0.00 C ATOM 0 H LEU A 85 -9.396 -1.881 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.384 -0.264 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.537 -1.093 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.491 -0.096 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.502 0.522 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.533 2.543 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.957 1.019 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.221 1.966 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.678 2.706 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.524 2.171 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.799 1.325 -2.034 1.00 0.00 H new ATOM 694 N LYS A 86 -12.509 -2.371 -4.008 1.00 0.00 N ATOM 695 CA LYS A 86 -13.374 -3.047 -4.964 1.00 0.00 C ATOM 696 C LYS A 86 -13.592 -2.215 -6.233 1.00 0.00 C ATOM 697 O LYS A 86 -13.777 -2.787 -7.302 1.00 0.00 O ATOM 698 CB LYS A 86 -14.717 -3.361 -4.287 1.00 0.00 C ATOM 699 CG LYS A 86 -14.612 -4.588 -3.366 1.00 0.00 C ATOM 700 CD LYS A 86 -14.619 -5.915 -4.150 1.00 0.00 C ATOM 701 CE LYS A 86 -15.956 -6.668 -4.071 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.083 -5.907 -4.650 1.00 0.00 N ATOM 0 H LYS A 86 -12.961 -2.218 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.888 -3.972 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.044 -2.497 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.476 -3.540 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.696 -4.521 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.443 -4.582 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.387 -5.711 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.826 -6.558 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.862 -7.620 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.177 -6.897 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.957 -6.465 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.196 -5.009 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.890 -5.711 -5.653 1.00 0.00 H new ATOM 703 N LYS A 87 -13.582 -0.881 -6.116 1.00 0.00 N ATOM 704 CA LYS A 87 -13.802 0.058 -7.213 1.00 0.00 C ATOM 705 C LYS A 87 -13.067 -0.293 -8.503 1.00 0.00 C ATOM 706 O LYS A 87 -13.617 -0.021 -9.572 1.00 0.00 O ATOM 707 CB LYS A 87 -13.424 1.470 -6.781 1.00 0.00 C ATOM 708 CG LYS A 87 -14.606 2.200 -6.128 1.00 0.00 C ATOM 709 CD LYS A 87 -15.327 3.201 -7.052 1.00 0.00 C ATOM 710 CE LYS A 87 -15.887 2.663 -8.384 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.858 2.505 -9.437 1.00 0.00 N ATOM 0 H LYS A 87 -13.415 -0.415 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.866 -0.007 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.591 1.425 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.081 2.036 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.327 1.460 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.247 2.732 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.153 3.640 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.632 4.009 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.364 1.699 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.662 3.340 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.249 2.807 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.030 3.090 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.572 1.507 -9.496 1.00 0.00 H new ATOM 712 N GLU A 88 -11.818 -0.757 -8.387 1.00 0.00 N ATOM 713 CA GLU A 88 -10.959 -1.378 -9.389 1.00 0.00 C ATOM 714 C GLU A 88 -10.386 -0.354 -10.363 1.00 0.00 C ATOM 715 O GLU A 88 -9.182 -0.287 -10.571 1.00 0.00 O ATOM 716 CB GLU A 88 -11.677 -2.547 -10.076 1.00 0.00 C ATOM 717 CG GLU A 88 -10.756 -3.320 -11.038 1.00 0.00 C ATOM 718 CD GLU A 88 -11.196 -3.136 -12.479 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.350 -3.510 -12.779 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.445 -2.539 -13.289 1.00 0.00 O ATOM 0 H GLU A 88 -11.337 -0.698 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.094 -1.804 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.061 -3.230 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.537 -2.167 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.729 -2.974 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.766 -4.380 -10.784 1.00 0.00 H new ATOM 721 N LYS A 89 -11.247 0.489 -10.910 1.00 0.00 N ATOM 722 CA LYS A 89 -10.868 1.503 -11.890 1.00 0.00 C ATOM 723 C LYS A 89 -9.963 2.513 -11.199 1.00 0.00 C ATOM 724 O LYS A 89 -8.817 2.736 -11.586 1.00 0.00 O ATOM 725 CB LYS A 89 -12.113 2.133 -12.516 1.00 0.00 C ATOM 726 CG LYS A 89 -12.600 1.407 -13.783 1.00 0.00 C ATOM 727 CD LYS A 89 -12.709 -0.118 -13.619 1.00 0.00 C ATOM 728 CE LYS A 89 -12.984 -0.821 -14.958 1.00 0.00 C ATOM 729 NZ LYS A 89 -12.487 -2.212 -14.940 1.00 0.00 N ATOM 0 H LYS A 89 -12.242 0.491 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.314 1.062 -12.718 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.916 2.139 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.899 3.173 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.575 1.804 -14.066 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.916 1.627 -14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.784 -0.504 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.509 -0.351 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.055 -0.817 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.504 -0.270 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.639 -2.647 -15.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.471 -2.215 -14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.000 -2.755 -14.216 1.00 0.00 H new ATOM 730 N ASP A 90 -10.491 3.069 -10.117 1.00 0.00 N ATOM 731 CA ASP A 90 -9.792 3.992 -9.256 1.00 0.00 C ATOM 732 C ASP A 90 -8.497 3.382 -8.740 1.00 0.00 C ATOM 733 O ASP A 90 -7.440 4.001 -8.809 1.00 0.00 O ATOM 734 CB ASP A 90 -10.749 4.347 -8.129 1.00 0.00 C ATOM 735 CG ASP A 90 -11.971 5.032 -8.719 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.890 6.262 -8.940 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.920 4.275 -9.038 1.00 0.00 O ATOM 0 H ASP A 90 -11.446 2.880 -9.812 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.499 4.893 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.045 3.448 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.259 5.004 -7.411 1.00 0.00 H new ATOM 738 N ARG A 91 -8.604 2.152 -8.240 1.00 0.00 N ATOM 739 CA ARG A 91 -7.457 1.322 -7.889 1.00 0.00 C ATOM 740 C ARG A 91 -6.419 1.321 -9.011 1.00 0.00 C ATOM 741 O ARG A 91 -5.255 1.550 -8.735 1.00 0.00 O ATOM 742 CB ARG A 91 -7.888 -0.107 -7.549 1.00 0.00 C ATOM 743 CG ARG A 91 -6.885 -0.827 -6.641 1.00 0.00 C ATOM 744 CD ARG A 91 -6.971 -2.345 -6.820 1.00 0.00 C ATOM 745 NE ARG A 91 -8.339 -2.852 -6.639 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.819 -3.989 -7.164 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.020 -4.842 -7.815 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.121 -4.249 -7.024 1.00 0.00 N ATOM 0 H ARG A 91 -9.502 1.700 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.998 1.753 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.862 -0.082 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.009 -0.675 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.875 -0.487 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.081 -0.569 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.616 -2.612 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.308 -2.831 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.974 -2.294 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.027 -4.633 -7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.404 -5.702 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.722 -3.591 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.515 -5.106 -7.413 1.00 0.00 H new ATOM 749 N ASN A 92 -6.805 1.068 -10.265 1.00 0.00 N ATOM 750 CA ASN A 92 -5.847 0.997 -11.366 1.00 0.00 C ATOM 751 C ASN A 92 -5.038 2.299 -11.453 1.00 0.00 C ATOM 752 O ASN A 92 -3.803 2.264 -11.482 1.00 0.00 O ATOM 753 CB ASN A 92 -6.518 0.659 -12.711 1.00 0.00 C ATOM 754 CG ASN A 92 -7.233 -0.695 -12.729 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.766 -1.662 -12.133 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.375 -0.767 -13.417 1.00 0.00 N ATOM 0 H ASN A 92 -7.774 0.909 -10.540 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.163 0.176 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.238 1.441 -12.953 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.761 0.669 -13.495 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.890 -1.646 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.732 0.057 -13.900 1.00 0.00 H new ATOM 757 N ASP A 93 -5.723 3.450 -11.453 1.00 0.00 N ATOM 758 CA ASP A 93 -5.047 4.747 -11.444 1.00 0.00 C ATOM 759 C ASP A 93 -4.159 4.894 -10.212 1.00 0.00 C ATOM 760 O ASP A 93 -2.979 5.208 -10.334 1.00 0.00 O ATOM 761 CB ASP A 93 -6.031 5.914 -11.536 1.00 0.00 C ATOM 762 CG ASP A 93 -6.496 6.245 -12.951 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.624 6.552 -13.795 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.729 6.245 -13.148 1.00 0.00 O ATOM 0 H ASP A 93 -6.741 3.506 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.418 4.780 -12.334 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.904 5.684 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.565 6.800 -11.105 1.00 0.00 H new ATOM 765 N LEU A 94 -4.723 4.685 -9.022 1.00 0.00 N ATOM 766 CA LEU A 94 -4.006 4.763 -7.757 1.00 0.00 C ATOM 767 C LEU A 94 -2.719 3.931 -7.800 1.00 0.00 C ATOM 768 O LEU A 94 -1.638 4.460 -7.568 1.00 0.00 O ATOM 769 CB LEU A 94 -4.958 4.374 -6.620 1.00 0.00 C ATOM 770 CG LEU A 94 -4.302 4.216 -5.243 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.342 5.352 -4.877 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.361 4.210 -4.155 1.00 0.00 C ATOM 0 H LEU A 94 -5.710 4.453 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.677 5.785 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.740 5.130 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.446 3.435 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.747 3.280 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.919 5.167 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.539 5.401 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.884 6.298 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.883 4.097 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.914 5.149 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.048 3.380 -4.320 1.00 0.00 H new ATOM 773 N ILE A 95 -2.809 2.644 -8.128 1.00 0.00 N ATOM 774 CA ILE A 95 -1.659 1.766 -8.249 1.00 0.00 C ATOM 775 C ILE A 95 -0.648 2.372 -9.222 1.00 0.00 C ATOM 776 O ILE A 95 0.527 2.474 -8.882 1.00 0.00 O ATOM 777 CB ILE A 95 -2.093 0.357 -8.694 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.000 -0.332 -7.653 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.825 -0.483 -8.930 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.745 -1.514 -8.277 1.00 0.00 C ATOM 0 H ILE A 95 -3.697 2.180 -8.319 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.182 1.666 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.678 0.444 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.398 -0.679 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.717 0.387 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.107 -1.487 -9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.218 -0.015 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.251 -0.542 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.378 -1.984 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.364 -1.160 -9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.025 -2.242 -8.651 1.00 0.00 H new ATOM 781 N THR A 96 -1.092 2.779 -10.417 1.00 0.00 N ATOM 782 CA THR A 96 -0.201 3.397 -11.393 1.00 0.00 C ATOM 783 C THR A 96 0.544 4.578 -10.764 1.00 0.00 C ATOM 784 O THR A 96 1.772 4.643 -10.814 1.00 0.00 O ATOM 785 CB THR A 96 -0.987 3.837 -12.637 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.672 2.729 -13.182 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.045 4.411 -13.699 1.00 0.00 C ATOM 0 H THR A 96 -2.060 2.690 -10.726 1.00 0.00 H new ATOM 0 HA THR A 96 0.538 2.660 -11.707 1.00 0.00 H new ATOM 0 HB THR A 96 -1.698 4.608 -12.339 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.503 2.581 -12.684 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.623 4.716 -14.571 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.480 5.275 -13.291 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.680 3.651 -13.992 1.00 0.00 H new ATOM 788 N TYR A 97 -0.203 5.511 -10.168 1.00 0.00 N ATOM 789 CA TYR A 97 0.368 6.657 -9.490 1.00 0.00 C ATOM 790 C TYR A 97 1.406 6.192 -8.476 1.00 0.00 C ATOM 791 O TYR A 97 2.519 6.699 -8.474 1.00 0.00 O ATOM 792 CB TYR A 97 -0.722 7.475 -8.784 1.00 0.00 C ATOM 793 CG TYR A 97 -0.178 8.471 -7.778 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.550 9.588 -8.227 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.220 8.173 -6.403 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.215 10.414 -7.304 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.451 8.994 -5.483 1.00 0.00 C ATOM 798 CZ TYR A 97 1.173 10.110 -5.932 1.00 0.00 C ATOM 799 OH TYR A 97 1.811 10.906 -5.029 1.00 0.00 O ATOM 0 H TYR A 97 -1.222 5.485 -10.147 1.00 0.00 H new ATOM 0 HA TYR A 97 0.847 7.294 -10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.306 8.010 -9.533 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.404 6.793 -8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.598 9.811 -9.283 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.770 7.311 -6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.758 11.282 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.411 8.766 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 97 1.677 10.549 -4.126 1.00 0.00 H new ATOM 800 N LEU A 98 1.037 5.243 -7.612 1.00 0.00 N ATOM 801 CA LEU A 98 1.897 4.767 -6.541 1.00 0.00 C ATOM 802 C LEU A 98 3.206 4.259 -7.133 1.00 0.00 C ATOM 803 O LEU A 98 4.283 4.711 -6.758 1.00 0.00 O ATOM 804 CB LEU A 98 1.192 3.661 -5.734 1.00 0.00 C ATOM 805 CG LEU A 98 1.255 3.914 -4.217 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.153 4.176 -3.702 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.819 2.727 -3.441 1.00 0.00 C ATOM 0 H LEU A 98 0.126 4.784 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 98 2.113 5.589 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.150 3.595 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.654 2.700 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 98 1.916 4.767 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.120 4.357 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.567 5.050 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.782 3.309 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.839 2.964 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.190 1.852 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.832 2.516 -3.785 1.00 0.00 H new ATOM 808 N LYS A 99 3.087 3.348 -8.096 1.00 0.00 N ATOM 809 CA LYS A 99 4.187 2.756 -8.826 1.00 0.00 C ATOM 810 C LYS A 99 5.138 3.834 -9.344 1.00 0.00 C ATOM 811 O LYS A 99 6.351 3.727 -9.161 1.00 0.00 O ATOM 812 CB LYS A 99 3.586 1.860 -9.916 1.00 0.00 C ATOM 813 CG LYS A 99 4.620 1.017 -10.667 1.00 0.00 C ATOM 814 CD LYS A 99 3.963 -0.324 -11.034 1.00 0.00 C ATOM 815 CE LYS A 99 4.790 -1.179 -12.003 1.00 0.00 C ATOM 816 NZ LYS A 99 4.421 -0.925 -13.410 1.00 0.00 N ATOM 0 H LYS A 99 2.179 2.992 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 99 4.810 2.132 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.851 1.196 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.052 2.484 -10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.955 1.536 -11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.501 0.853 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.789 -0.893 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.987 -0.129 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.850 -0.967 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.643 -2.234 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.145 -1.330 -14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.501 -1.366 -13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.357 0.100 -13.572 1.00 0.00 H new ATOM 817 N LYS A 100 4.592 4.889 -9.951 1.00 0.00 N ATOM 818 CA LYS A 100 5.365 5.985 -10.499 1.00 0.00 C ATOM 819 C LYS A 100 5.914 6.899 -9.396 1.00 0.00 C ATOM 820 O LYS A 100 6.963 7.509 -9.553 1.00 0.00 O ATOM 821 CB LYS A 100 4.461 6.758 -11.467 1.00 0.00 C ATOM 822 CG LYS A 100 5.006 6.749 -12.902 1.00 0.00 C ATOM 823 CD LYS A 100 6.341 7.484 -13.070 1.00 0.00 C ATOM 824 CE LYS A 100 6.179 9.003 -13.180 1.00 0.00 C ATOM 825 NZ LYS A 100 7.493 9.646 -13.376 1.00 0.00 N ATOM 0 H LYS A 100 3.585 5.000 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 100 6.234 5.595 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.463 6.321 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.361 7.788 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.129 5.716 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.268 7.204 -13.562 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.985 7.254 -12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.844 7.112 -13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.520 9.246 -14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.708 9.391 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.444 10.638 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.212 9.144 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.751 9.609 -14.383 1.00 0.00 H new ATOM 826 N ALA A 101 5.193 7.023 -8.285 1.00 0.00 N ATOM 827 CA ALA A 101 5.633 7.768 -7.114 1.00 0.00 C ATOM 828 C ALA A 101 6.806 7.056 -6.430 1.00 0.00 C ATOM 829 O ALA A 101 7.658 7.706 -5.833 1.00 0.00 O ATOM 830 CB ALA A 101 4.456 7.975 -6.158 1.00 0.00 C ATOM 0 H ALA A 101 4.271 6.601 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 101 5.990 8.750 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.791 8.533 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.669 8.533 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.068 7.006 -5.843 1.00 0.00 H new ATOM 831 N SER A 102 6.869 5.728 -6.553 1.00 0.00 N ATOM 832 CA SER A 102 7.961 4.891 -6.077 1.00 0.00 C ATOM 833 C SER A 102 8.996 4.661 -7.183 1.00 0.00 C ATOM 834 O SER A 102 9.562 3.569 -7.262 1.00 0.00 O ATOM 835 CB SER A 102 7.375 3.567 -5.568 1.00 0.00 C ATOM 836 OG SER A 102 6.546 2.959 -6.538 1.00 0.00 O ATOM 0 H SER A 102 6.130 5.190 -7.005 1.00 0.00 H new ATOM 0 HA SER A 102 8.481 5.390 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.185 2.888 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.801 3.748 -4.659 1.00 0.00 H new ATOM 0 HG SER A 102 6.749 3.332 -7.421 1.00 0.00 H new ATOM 837 N GLU A 103 9.187 5.671 -8.033 1.00 0.00 N ATOM 838 CA GLU A 103 10.249 5.735 -9.039 1.00 0.00 C ATOM 839 C GLU A 103 11.442 6.632 -8.577 1.00 0.00 C ATOM 840 O GLU A 103 11.705 5.612 -7.899 1.00 0.00 O ATOM 841 CB GLU A 103 9.616 6.390 -10.275 1.00 0.00 C ATOM 842 CG GLU A 103 10.495 6.461 -11.525 1.00 0.00 C ATOM 843 CD GLU A 103 9.751 7.207 -12.621 1.00 0.00 C ATOM 844 OE1 GLU A 103 9.576 8.437 -12.468 1.00 0.00 O ATOM 845 OE2 GLU A 103 9.274 6.548 -13.567 1.00 0.00 O ATOM 846 OXT GLU A 103 12.468 7.092 -8.028 1.00 0.00 O ATOM 0 H GLU A 103 8.586 6.495 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 103 10.640 4.735 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.707 5.843 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.315 7.403 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.432 6.968 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.750 5.456 -11.862 1.00 0.00 H new