USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 53 MET CE :methyl 165:sc= -1.92 (180deg=-2.5) USER MOD Set 1.2: A 90 HEC O2A : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 27 ASN : amide:sc= 1.14 K(o=2.3,f=-12!) USER MOD Set 3.1: A 12 THR OG1 : rot -34:sc= 0.644 USER MOD Set 3.2: A 16 SER OG : rot -170:sc= -0.328 USER MOD Single : A 1 GLN : amide:sc=-0.00422 K(o=-0.0042,f=-1.4!) USER MOD Single : A 7 TYR OH : rot 137:sc= 0.736 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 170:sc= 0 (180deg=-0.0579) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -2.25 K(o=-2.3,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 1.18 (180deg=1.08) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.481) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.376 USER MOD Single : A 51 ASN : amide:sc= -0.0735 X(o=-0.074,f=-0.053) USER MOD Single : A 58 MET CE :methyl -171:sc=-0.00657 (180deg=-0.116) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 46:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= 0.56 (180deg=-0.259!) USER MOD Single : A 74 MET CE :methyl 159:sc= 0 (180deg=-0.151) USER MOD Single : A 75 SER OG : rot -55:sc= 0.12 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= 2.49 (180deg=-2.03!) USER MOD Single : A 90 HEC O2D : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 5.638 0.346 -15.002 1.00 10.00 N ATOM 2 CA ALA A -3 4.366 -0.067 -15.643 1.00 10.00 C ATOM 3 C ALA A -3 4.313 -1.589 -15.848 1.00 10.00 C ATOM 4 O ALA A -3 3.905 -2.060 -16.902 1.00 10.00 O ATOM 5 CB ALA A -3 4.188 0.697 -16.962 1.00 10.00 C ATOM 0 H1 ALA A -3 5.720 1.382 -15.030 1.00 10.00 H new ATOM 0 H2 ALA A -3 5.649 0.024 -14.013 1.00 10.00 H new ATOM 0 H3 ALA A -3 6.438 -0.079 -15.513 1.00 10.00 H new ATOM 0 HA ALA A -3 3.535 0.185 -14.984 1.00 10.00 H new ATOM 0 HB1 ALA A -3 3.253 0.395 -17.434 1.00 10.00 H new ATOM 0 HB2 ALA A -3 4.163 1.768 -16.762 1.00 10.00 H new ATOM 0 HB3 ALA A -3 5.021 0.472 -17.628 1.00 10.00 H new ATOM 13 N ASP A -2 4.770 -2.334 -14.835 1.00 10.00 N ATOM 14 CA ASP A -2 5.053 -3.755 -14.931 1.00 10.00 C ATOM 15 C ASP A -2 5.285 -4.305 -13.519 1.00 10.00 C ATOM 16 O ASP A -2 6.100 -3.762 -12.769 1.00 10.00 O ATOM 17 CB ASP A -2 6.295 -3.966 -15.818 1.00 10.00 C ATOM 18 CG ASP A -2 5.963 -4.681 -17.115 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.318 -5.745 -17.011 1.00 10.00 O ATOM 20 OD2 ASP A -2 6.392 -4.164 -18.167 1.00 10.00 O ATOM 0 H ASP A -2 4.955 -1.949 -13.909 1.00 10.00 H new ATOM 0 HA ASP A -2 4.215 -4.286 -15.383 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.746 -3.000 -16.044 1.00 10.00 H new ATOM 0 HB3 ASP A -2 7.038 -4.543 -15.268 1.00 10.00 H new ATOM 25 N LEU A -1 4.561 -5.355 -13.128 1.00 10.00 N ATOM 26 CA LEU A -1 4.759 -6.017 -11.846 1.00 10.00 C ATOM 27 C LEU A -1 5.991 -6.929 -11.905 1.00 10.00 C ATOM 28 O LEU A -1 5.890 -8.151 -11.908 1.00 10.00 O ATOM 29 CB LEU A -1 3.472 -6.751 -11.478 1.00 10.00 C ATOM 30 CG LEU A -1 3.540 -7.499 -10.137 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.643 -6.806 -9.107 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.115 -8.954 -10.325 1.00 10.00 C ATOM 0 H LEU A -1 3.821 -5.768 -13.695 1.00 10.00 H new ATOM 0 HA LEU A -1 4.964 -5.294 -11.057 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.654 -6.032 -11.440 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.234 -7.463 -12.268 1.00 10.00 H new ATOM 0 HG LEU A -1 4.567 -7.484 -9.772 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.696 -7.342 -8.159 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.980 -5.779 -8.963 1.00 10.00 H new ATOM 0 HD13 LEU A -1 1.613 -6.803 -9.465 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.167 -9.475 -9.369 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.093 -8.989 -10.702 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.782 -9.438 -11.039 1.00 10.00 H new ATOM 44 N GLN A 1 7.157 -6.293 -12.018 1.00 10.00 N ATOM 45 CA GLN A 1 8.474 -6.936 -12.017 1.00 10.00 C ATOM 46 C GLN A 1 9.337 -6.592 -10.801 1.00 10.00 C ATOM 47 O GLN A 1 10.284 -7.312 -10.493 1.00 10.00 O ATOM 48 CB GLN A 1 9.208 -6.585 -13.325 1.00 10.00 C ATOM 49 CG GLN A 1 9.271 -7.775 -14.292 1.00 10.00 C ATOM 50 CD GLN A 1 10.294 -8.831 -13.871 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.132 -9.523 -12.878 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.366 -8.994 -14.635 1.00 10.00 N ATOM 0 H GLN A 1 7.214 -5.279 -12.116 1.00 10.00 H new ATOM 0 HA GLN A 1 8.303 -8.010 -11.950 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.702 -5.751 -13.811 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.220 -6.253 -13.094 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.286 -8.237 -14.357 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.520 -7.413 -15.290 1.00 10.00 H new ATOM 0 HE21 GLN A 1 11.495 -8.413 -15.463 1.00 10.00 H new ATOM 0 HE22 GLN A 1 12.061 -9.701 -14.394 1.00 10.00 H new ATOM 61 N ASP A 2 9.047 -5.464 -10.153 1.00 10.00 N ATOM 62 CA ASP A 2 9.817 -4.982 -9.016 1.00 10.00 C ATOM 63 C ASP A 2 8.874 -4.259 -8.058 1.00 10.00 C ATOM 64 O ASP A 2 8.267 -3.253 -8.423 1.00 10.00 O ATOM 65 CB ASP A 2 10.967 -4.083 -9.499 1.00 10.00 C ATOM 66 CG ASP A 2 11.887 -3.649 -8.365 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.381 -3.527 -7.229 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.077 -3.426 -8.665 1.00 10.00 O ATOM 0 H ASP A 2 8.266 -4.859 -10.407 1.00 10.00 H new ATOM 0 HA ASP A 2 10.274 -5.814 -8.481 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.549 -4.616 -10.250 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.553 -3.199 -9.985 1.00 10.00 H new ATOM 73 N ALA A 3 8.741 -4.777 -6.841 1.00 10.00 N ATOM 74 CA ALA A 3 7.996 -4.156 -5.758 1.00 10.00 C ATOM 75 C ALA A 3 8.275 -2.655 -5.597 1.00 10.00 C ATOM 76 O ALA A 3 7.341 -1.870 -5.402 1.00 10.00 O ATOM 77 CB ALA A 3 8.319 -4.935 -4.499 1.00 10.00 C ATOM 0 H ALA A 3 9.162 -5.667 -6.576 1.00 10.00 H new ATOM 0 HA ALA A 3 6.930 -4.199 -5.982 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.780 -4.503 -3.656 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.019 -5.975 -4.628 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.391 -4.888 -4.307 1.00 10.00 H new ATOM 83 N GLU A 4 9.541 -2.242 -5.736 1.00 10.00 N ATOM 84 CA GLU A 4 9.884 -0.828 -5.751 1.00 10.00 C ATOM 85 C GLU A 4 9.188 -0.116 -6.912 1.00 10.00 C ATOM 86 O GLU A 4 8.499 0.881 -6.710 1.00 10.00 O ATOM 87 CB GLU A 4 11.404 -0.633 -5.775 1.00 10.00 C ATOM 88 CG GLU A 4 11.749 0.865 -5.863 1.00 10.00 C ATOM 89 CD GLU A 4 13.221 1.150 -5.595 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.656 0.857 -4.460 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.870 1.679 -6.521 1.00 10.00 O ATOM 0 H GLU A 4 10.338 -2.871 -5.839 1.00 10.00 H new ATOM 0 HA GLU A 4 9.521 -0.371 -4.830 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.847 -1.063 -4.877 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.832 -1.162 -6.626 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.487 1.236 -6.854 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.141 1.416 -5.145 1.00 10.00 H new ATOM 98 N ALA A 5 9.286 -0.663 -8.125 1.00 10.00 N ATOM 99 CA ALA A 5 8.700 -0.047 -9.311 1.00 10.00 C ATOM 100 C ALA A 5 7.172 -0.065 -9.249 1.00 10.00 C ATOM 101 O ALA A 5 6.524 0.856 -9.735 1.00 10.00 O ATOM 102 CB ALA A 5 9.196 -0.753 -10.572 1.00 10.00 C ATOM 0 H ALA A 5 9.772 -1.541 -8.310 1.00 10.00 H new ATOM 0 HA ALA A 5 9.017 0.995 -9.344 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.752 -0.284 -11.450 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.282 -0.675 -10.629 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.909 -1.804 -10.537 1.00 10.00 H new ATOM 108 N ILE A 6 6.586 -1.071 -8.599 1.00 10.00 N ATOM 109 CA ILE A 6 5.145 -1.151 -8.419 1.00 10.00 C ATOM 110 C ILE A 6 4.703 -0.014 -7.506 1.00 10.00 C ATOM 111 O ILE A 6 3.870 0.790 -7.921 1.00 10.00 O ATOM 112 CB ILE A 6 4.788 -2.519 -7.819 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.938 -3.597 -8.898 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.364 -2.564 -7.235 1.00 10.00 C ATOM 115 CD1 ILE A 6 5.330 -4.924 -8.253 1.00 10.00 C ATOM 0 H ILE A 6 7.100 -1.849 -8.185 1.00 10.00 H new ATOM 0 HA ILE A 6 4.629 -1.052 -9.374 1.00 10.00 H new ATOM 0 HB ILE A 6 5.475 -2.702 -6.993 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.002 -3.710 -9.444 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.695 -3.297 -9.622 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.170 -3.555 -6.826 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.272 -1.820 -6.443 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.641 -2.348 -8.022 1.00 10.00 H new ATOM 0 HD11 ILE A 6 5.435 -5.687 -9.025 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.277 -4.807 -7.727 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.558 -5.227 -7.546 1.00 10.00 H new ATOM 127 N TYR A 7 5.301 0.152 -6.320 1.00 10.00 N ATOM 128 CA TYR A 7 4.839 1.245 -5.468 1.00 10.00 C ATOM 129 C TYR A 7 5.202 2.609 -6.071 1.00 10.00 C ATOM 130 O TYR A 7 4.378 3.518 -6.106 1.00 10.00 O ATOM 131 CB TYR A 7 5.231 1.059 -3.990 1.00 10.00 C ATOM 132 CG TYR A 7 6.518 1.730 -3.566 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.560 3.127 -3.399 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.680 0.969 -3.372 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.795 3.776 -3.234 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.909 1.620 -3.176 1.00 10.00 C ATOM 137 CZ TYR A 7 8.972 3.018 -3.149 1.00 10.00 C ATOM 138 OH TYR A 7 10.175 3.647 -3.058 1.00 10.00 O ATOM 0 H TYR A 7 6.060 -0.419 -5.948 1.00 10.00 H new ATOM 0 HA TYR A 7 3.750 1.218 -5.446 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.421 1.440 -3.367 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.315 -0.009 -3.786 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.644 3.699 -3.398 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.630 -0.110 -3.373 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.838 4.853 -3.173 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.810 1.039 -3.045 1.00 10.00 H new ATOM 0 HH TYR A 7 10.732 3.193 -2.391 1.00 10.00 H new ATOM 148 N ASN A 8 6.409 2.723 -6.624 1.00 10.00 N ATOM 149 CA ASN A 8 6.970 3.930 -7.216 1.00 10.00 C ATOM 150 C ASN A 8 6.275 4.345 -8.524 1.00 10.00 C ATOM 151 O ASN A 8 6.372 5.498 -8.926 1.00 10.00 O ATOM 152 CB ASN A 8 8.475 3.706 -7.387 1.00 10.00 C ATOM 153 CG ASN A 8 9.253 4.949 -7.784 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.932 6.067 -7.407 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.324 4.759 -8.540 1.00 10.00 N ATOM 0 H ASN A 8 7.053 1.933 -6.672 1.00 10.00 H new ATOM 0 HA ASN A 8 6.795 4.775 -6.550 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.881 3.321 -6.452 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.632 2.937 -8.143 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.899 5.554 -8.819 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.574 3.818 -8.843 1.00 10.00 H new ATOM 162 N LYS A 9 5.599 3.422 -9.220 1.00 10.00 N ATOM 163 CA LYS A 9 4.703 3.734 -10.339 1.00 10.00 C ATOM 164 C LYS A 9 3.224 3.879 -9.912 1.00 10.00 C ATOM 165 O LYS A 9 2.483 4.600 -10.575 1.00 10.00 O ATOM 166 CB LYS A 9 4.881 2.677 -11.439 1.00 10.00 C ATOM 167 CG LYS A 9 4.266 3.051 -12.800 1.00 10.00 C ATOM 168 CD LYS A 9 5.244 3.729 -13.781 1.00 10.00 C ATOM 169 CE LYS A 9 5.444 5.227 -13.507 1.00 10.00 C ATOM 170 NZ LYS A 9 5.930 5.936 -14.715 1.00 10.00 N ATOM 0 H LYS A 9 5.660 2.424 -9.018 1.00 10.00 H new ATOM 0 HA LYS A 9 4.982 4.712 -10.730 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.946 2.492 -11.576 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.436 1.742 -11.100 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.872 2.148 -13.266 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.421 3.718 -12.631 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.209 3.225 -13.726 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.874 3.600 -14.798 1.00 10.00 H new ATOM 0 HE2 LYS A 9 4.503 5.667 -13.178 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.158 5.358 -12.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.055 6.945 -14.498 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.840 5.530 -15.013 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.236 5.830 -15.482 1.00 10.00 H new ATOM 184 N ALA A 10 2.778 3.189 -8.852 1.00 10.00 N ATOM 185 CA ALA A 10 1.362 3.094 -8.458 1.00 10.00 C ATOM 186 C ALA A 10 1.042 3.901 -7.194 1.00 10.00 C ATOM 187 O ALA A 10 0.332 4.905 -7.251 1.00 10.00 O ATOM 188 CB ALA A 10 0.954 1.628 -8.269 1.00 10.00 C ATOM 0 H ALA A 10 3.401 2.672 -8.232 1.00 10.00 H new ATOM 0 HA ALA A 10 0.781 3.530 -9.270 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.095 1.577 -7.978 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.098 1.087 -9.204 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.569 1.177 -7.490 1.00 10.00 H new ATOM 194 N CYS A 11 1.586 3.498 -6.043 1.00 10.00 N ATOM 195 CA CYS A 11 1.403 4.157 -4.749 1.00 10.00 C ATOM 196 C CYS A 11 2.255 5.448 -4.665 1.00 10.00 C ATOM 197 O CYS A 11 2.838 5.776 -3.634 1.00 10.00 O ATOM 198 CB CYS A 11 1.716 3.189 -3.618 1.00 10.00 C ATOM 199 SG CYS A 11 1.674 1.416 -4.020 1.00 10.00 S ATOM 0 H CYS A 11 2.187 2.676 -5.985 1.00 10.00 H new ATOM 0 HA CYS A 11 0.360 4.457 -4.647 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.708 3.426 -3.232 1.00 10.00 H new ATOM 0 HB3 CYS A 11 1.008 3.371 -2.810 1.00 10.00 H new ATOM 204 N THR A 12 2.320 6.198 -5.769 1.00 10.00 N ATOM 205 CA THR A 12 3.265 7.293 -5.979 1.00 10.00 C ATOM 206 C THR A 12 2.599 8.612 -6.340 1.00 10.00 C ATOM 207 O THR A 12 3.273 9.597 -6.637 1.00 10.00 O ATOM 208 CB THR A 12 4.263 6.890 -7.066 1.00 10.00 C ATOM 209 OG1 THR A 12 5.325 7.809 -7.065 1.00 10.00 O ATOM 210 CG2 THR A 12 3.594 6.892 -8.450 1.00 10.00 C ATOM 0 H THR A 12 1.697 6.054 -6.564 1.00 10.00 H new ATOM 0 HA THR A 12 3.774 7.465 -5.031 1.00 10.00 H new ATOM 0 HB THR A 12 4.626 5.883 -6.859 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.988 8.698 -6.827 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.323 6.602 -9.207 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.765 6.184 -8.455 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.219 7.891 -8.671 1.00 10.00 H new ATOM 218 N VAL A 13 1.271 8.611 -6.347 1.00 10.00 N ATOM 219 CA VAL A 13 0.447 9.723 -6.778 1.00 10.00 C ATOM 220 C VAL A 13 -0.160 10.381 -5.534 1.00 10.00 C ATOM 221 O VAL A 13 -0.014 11.577 -5.300 1.00 10.00 O ATOM 222 CB VAL A 13 -0.610 9.161 -7.740 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.406 10.318 -8.332 1.00 10.00 C ATOM 224 CG2 VAL A 13 0.018 8.349 -8.883 1.00 10.00 C ATOM 0 H VAL A 13 0.724 7.806 -6.041 1.00 10.00 H new ATOM 0 HA VAL A 13 1.011 10.492 -7.306 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.255 8.491 -7.172 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.159 9.929 -9.017 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -1.895 10.871 -7.530 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.733 10.983 -8.873 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.769 7.972 -9.537 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.691 8.987 -9.456 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.578 7.511 -8.469 1.00 10.00 H new ATOM 234 N CYS A 14 -0.798 9.551 -4.708 1.00 10.00 N ATOM 235 CA CYS A 14 -1.385 9.916 -3.433 1.00 10.00 C ATOM 236 C CYS A 14 -0.333 9.887 -2.311 1.00 10.00 C ATOM 237 O CYS A 14 -0.031 10.909 -1.696 1.00 10.00 O ATOM 238 CB CYS A 14 -2.498 8.932 -3.186 1.00 10.00 C ATOM 239 SG CYS A 14 -3.998 9.342 -4.124 1.00 10.00 S ATOM 0 H CYS A 14 -0.921 8.562 -4.926 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.771 10.935 -3.449 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.163 7.931 -3.459 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.732 8.910 -2.122 1.00 10.00 H new ATOM 244 N HIS A 15 0.235 8.708 -2.049 1.00 10.00 N ATOM 245 CA HIS A 15 1.044 8.408 -0.868 1.00 10.00 C ATOM 246 C HIS A 15 2.451 9.020 -0.875 1.00 10.00 C ATOM 247 O HIS A 15 3.047 9.203 0.188 1.00 10.00 O ATOM 248 CB HIS A 15 1.171 6.891 -0.776 1.00 10.00 C ATOM 249 CG HIS A 15 -0.086 6.212 -0.333 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.351 5.857 0.961 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.046 5.662 -1.136 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.418 5.045 0.931 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.921 4.945 -0.312 1.00 10.00 N ATOM 0 H HIS A 15 0.140 7.909 -2.676 1.00 10.00 H new ATOM 0 HA HIS A 15 0.535 8.853 -0.013 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.462 6.499 -1.751 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.973 6.643 -0.080 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.164 6.153 1.790 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.116 5.762 -2.209 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.821 4.537 1.794 1.00 10.00 H new ATOM 261 N SER A 16 2.987 9.319 -2.062 1.00 10.00 N ATOM 262 CA SER A 16 4.322 9.904 -2.214 1.00 10.00 C ATOM 263 C SER A 16 4.405 11.242 -1.482 1.00 10.00 C ATOM 264 O SER A 16 5.363 11.503 -0.761 1.00 10.00 O ATOM 265 CB SER A 16 4.677 10.090 -3.699 1.00 10.00 C ATOM 266 OG SER A 16 5.405 8.966 -4.157 1.00 10.00 O ATOM 0 H SER A 16 2.505 9.162 -2.947 1.00 10.00 H new ATOM 0 HA SER A 16 5.043 9.215 -1.773 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.768 10.212 -4.288 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.267 10.997 -3.832 1.00 10.00 H new ATOM 0 HG SER A 16 5.765 9.151 -5.049 1.00 10.00 H new ATOM 272 N MET A 17 3.389 12.083 -1.691 1.00 10.00 N ATOM 273 CA MET A 17 3.325 13.432 -1.141 1.00 10.00 C ATOM 274 C MET A 17 2.256 13.552 -0.038 1.00 10.00 C ATOM 275 O MET A 17 2.329 14.458 0.788 1.00 10.00 O ATOM 276 CB MET A 17 3.065 14.389 -2.313 1.00 10.00 C ATOM 277 CG MET A 17 3.651 15.794 -2.111 1.00 10.00 C ATOM 278 SD MET A 17 5.136 16.137 -3.094 1.00 10.00 S ATOM 279 CE MET A 17 5.249 17.923 -2.898 1.00 10.00 C ATOM 0 H MET A 17 2.576 11.838 -2.257 1.00 10.00 H new ATOM 0 HA MET A 17 4.265 13.689 -0.654 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.486 13.958 -3.221 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.989 14.474 -2.469 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.888 16.532 -2.359 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.890 15.926 -1.056 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.115 18.295 -3.445 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.345 18.390 -3.289 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.355 18.167 -1.841 1.00 10.00 H new ATOM 289 N GLY A 18 1.260 12.654 -0.025 1.00 10.00 N ATOM 290 CA GLY A 18 0.129 12.699 0.902 1.00 10.00 C ATOM 291 C GLY A 18 -1.030 13.543 0.355 1.00 10.00 C ATOM 292 O GLY A 18 -1.466 14.502 0.988 1.00 10.00 O ATOM 0 H GLY A 18 1.221 11.865 -0.670 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.221 11.685 1.096 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.458 13.111 1.856 1.00 10.00 H new ATOM 296 N VAL A 19 -1.536 13.181 -0.828 1.00 10.00 N ATOM 297 CA VAL A 19 -2.646 13.846 -1.515 1.00 10.00 C ATOM 298 C VAL A 19 -3.921 13.007 -1.354 1.00 10.00 C ATOM 299 O VAL A 19 -3.863 11.843 -0.970 1.00 10.00 O ATOM 300 CB VAL A 19 -2.279 14.099 -2.992 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.364 14.869 -3.756 1.00 10.00 C ATOM 302 CG2 VAL A 19 -0.979 14.905 -3.076 1.00 10.00 C ATOM 0 H VAL A 19 -1.169 12.387 -1.353 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.838 14.821 -1.068 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.169 13.117 -3.452 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.047 15.016 -4.789 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.294 14.301 -3.739 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.523 15.839 -3.284 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.726 15.080 -4.122 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.110 15.861 -2.570 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.174 14.348 -2.596 1.00 10.00 H new ATOM 312 N ALA A 20 -5.090 13.616 -1.569 1.00 10.00 N ATOM 313 CA ALA A 20 -6.396 12.982 -1.367 1.00 10.00 C ATOM 314 C ALA A 20 -6.618 12.499 0.079 1.00 10.00 C ATOM 315 O ALA A 20 -7.425 11.609 0.330 1.00 10.00 O ATOM 316 CB ALA A 20 -6.601 11.860 -2.391 1.00 10.00 C ATOM 0 H ALA A 20 -5.157 14.580 -1.894 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.158 13.744 -1.532 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.574 11.396 -2.232 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.557 12.274 -3.398 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.818 11.111 -2.272 1.00 10.00 H new ATOM 322 N GLY A 21 -5.877 13.081 1.028 1.00 10.00 N ATOM 323 CA GLY A 21 -5.855 12.658 2.426 1.00 10.00 C ATOM 324 C GLY A 21 -5.089 11.346 2.649 1.00 10.00 C ATOM 325 O GLY A 21 -5.242 10.715 3.689 1.00 10.00 O ATOM 0 H GLY A 21 -5.265 13.875 0.839 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.400 13.444 3.029 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.879 12.538 2.779 1.00 10.00 H new ATOM 329 N ALA A 22 -4.269 10.919 1.682 1.00 10.00 N ATOM 330 CA ALA A 22 -3.595 9.630 1.743 1.00 10.00 C ATOM 331 C ALA A 22 -2.539 9.544 2.865 1.00 10.00 C ATOM 332 O ALA A 22 -1.844 10.523 3.142 1.00 10.00 O ATOM 333 CB ALA A 22 -2.995 9.312 0.376 1.00 10.00 C ATOM 0 H ALA A 22 -4.059 11.458 0.842 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.340 8.877 1.998 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.489 8.347 0.416 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.789 9.274 -0.370 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.278 10.087 0.104 1.00 10.00 H new ATOM 339 N PRO A 23 -2.396 8.368 3.501 1.00 10.00 N ATOM 340 CA PRO A 23 -1.502 8.150 4.628 1.00 10.00 C ATOM 341 C PRO A 23 -0.047 8.042 4.162 1.00 10.00 C ATOM 342 O PRO A 23 0.240 7.444 3.121 1.00 10.00 O ATOM 343 CB PRO A 23 -2.021 6.876 5.292 1.00 10.00 C ATOM 344 CG PRO A 23 -2.745 6.104 4.200 1.00 10.00 C ATOM 345 CD PRO A 23 -3.151 7.168 3.191 1.00 10.00 C ATOM 0 HA PRO A 23 -1.497 8.979 5.336 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.201 6.290 5.707 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.694 7.111 6.116 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -2.097 5.354 3.747 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.614 5.578 4.595 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.941 6.834 2.175 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.222 7.363 3.248 1.00 10.00 H new ATOM 353 N LYS A 24 0.877 8.651 4.914 1.00 10.00 N ATOM 354 CA LYS A 24 2.238 8.903 4.440 1.00 10.00 C ATOM 355 C LYS A 24 3.004 7.606 4.132 1.00 10.00 C ATOM 356 O LYS A 24 2.897 6.612 4.860 1.00 10.00 O ATOM 357 CB LYS A 24 3.049 9.731 5.447 1.00 10.00 C ATOM 358 CG LYS A 24 2.422 11.076 5.840 1.00 10.00 C ATOM 359 CD LYS A 24 3.367 11.774 6.836 1.00 10.00 C ATOM 360 CE LYS A 24 2.636 12.748 7.775 1.00 10.00 C ATOM 361 NZ LYS A 24 3.158 12.649 9.158 1.00 10.00 N ATOM 0 H LYS A 24 0.701 8.981 5.863 1.00 10.00 H new ATOM 0 HA LYS A 24 2.124 9.468 3.515 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.193 9.137 6.350 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.038 9.918 5.028 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.273 11.698 4.958 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.442 10.921 6.291 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.880 11.019 7.432 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.133 12.317 6.282 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.755 13.768 7.410 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.568 12.530 7.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 2.542 13.186 9.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.178 11.651 9.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.121 13.040 9.194 1.00 10.00 H new ATOM 375 N SER A 25 3.836 7.653 3.085 1.00 10.00 N ATOM 376 CA SER A 25 4.697 6.548 2.662 1.00 10.00 C ATOM 377 C SER A 25 5.514 5.929 3.814 1.00 10.00 C ATOM 378 O SER A 25 5.722 4.722 3.848 1.00 10.00 O ATOM 379 CB SER A 25 5.601 7.020 1.515 1.00 10.00 C ATOM 380 OG SER A 25 6.174 5.893 0.882 1.00 10.00 O ATOM 0 H SER A 25 3.930 8.481 2.496 1.00 10.00 H new ATOM 0 HA SER A 25 4.051 5.743 2.310 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.023 7.601 0.796 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.384 7.674 1.898 1.00 10.00 H new ATOM 0 HG SER A 25 6.751 6.189 0.147 1.00 10.00 H new ATOM 386 N HIS A 26 5.955 6.747 4.777 1.00 10.00 N ATOM 387 CA HIS A 26 6.720 6.297 5.942 1.00 10.00 C ATOM 388 C HIS A 26 6.330 7.056 7.226 1.00 10.00 C ATOM 389 O HIS A 26 7.165 7.664 7.891 1.00 10.00 O ATOM 390 CB HIS A 26 8.223 6.359 5.616 1.00 10.00 C ATOM 391 CG HIS A 26 8.663 7.596 4.869 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.415 7.602 3.715 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.302 8.893 5.129 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.505 8.874 3.294 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.834 9.695 4.118 1.00 10.00 N ATOM 0 H HIS A 26 5.787 7.753 4.767 1.00 10.00 H new ATOM 0 HA HIS A 26 6.471 5.258 6.158 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.785 6.297 6.548 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.488 5.482 5.025 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.711 9.233 5.967 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.043 9.193 2.414 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.733 10.706 4.024 1.00 10.00 H new ATOM 403 N ASN A 27 5.046 6.999 7.595 1.00 10.00 N ATOM 404 CA ASN A 27 4.579 7.391 8.926 1.00 10.00 C ATOM 405 C ASN A 27 4.865 6.243 9.914 1.00 10.00 C ATOM 406 O ASN A 27 5.090 5.109 9.499 1.00 10.00 O ATOM 407 CB ASN A 27 3.060 7.672 8.861 1.00 10.00 C ATOM 408 CG ASN A 27 2.629 9.132 9.028 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.323 9.962 9.608 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.448 9.495 8.544 1.00 10.00 N ATOM 0 H ASN A 27 4.301 6.679 6.977 1.00 10.00 H new ATOM 0 HA ASN A 27 5.096 8.290 9.262 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.687 7.314 7.902 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.570 7.081 9.634 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.125 10.456 8.656 1.00 10.00 H new ATOM 0 HD22 ASN A 27 0.864 8.813 8.060 1.00 10.00 H new ATOM 417 N THR A 28 4.789 6.509 11.219 1.00 10.00 N ATOM 418 CA THR A 28 4.713 5.451 12.231 1.00 10.00 C ATOM 419 C THR A 28 3.318 5.370 12.850 1.00 10.00 C ATOM 420 O THR A 28 2.771 4.283 12.960 1.00 10.00 O ATOM 421 CB THR A 28 5.730 5.761 13.334 1.00 10.00 C ATOM 422 OG1 THR A 28 5.664 7.143 13.631 1.00 10.00 O ATOM 423 CG2 THR A 28 7.143 5.419 12.860 1.00 10.00 C ATOM 0 H THR A 28 4.778 7.454 11.603 1.00 10.00 H new ATOM 0 HA THR A 28 4.929 4.495 11.754 1.00 10.00 H new ATOM 0 HB THR A 28 5.500 5.167 14.219 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.309 7.357 14.337 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.857 5.644 13.652 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.197 4.359 12.613 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.384 6.010 11.977 1.00 10.00 H new ATOM 431 N ALA A 29 2.631 6.498 13.043 1.00 10.00 N ATOM 432 CA ALA A 29 1.313 6.512 13.691 1.00 10.00 C ATOM 433 C ALA A 29 0.184 6.023 12.775 1.00 10.00 C ATOM 434 O ALA A 29 -0.880 5.611 13.227 1.00 10.00 O ATOM 435 CB ALA A 29 1.019 7.928 14.161 1.00 10.00 C ATOM 0 H ALA A 29 2.966 7.419 12.759 1.00 10.00 H new ATOM 0 HA ALA A 29 1.350 5.818 14.531 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.043 7.955 14.645 1.00 10.00 H new ATOM 0 HB2 ALA A 29 1.785 8.242 14.870 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.019 8.603 13.305 1.00 10.00 H new ATOM 441 N ASP A 30 0.432 6.098 11.470 1.00 10.00 N ATOM 442 CA ASP A 30 -0.460 5.737 10.379 1.00 10.00 C ATOM 443 C ASP A 30 -0.307 4.242 10.037 1.00 10.00 C ATOM 444 O ASP A 30 -1.208 3.609 9.492 1.00 10.00 O ATOM 445 CB ASP A 30 -0.016 6.656 9.236 1.00 10.00 C ATOM 446 CG ASP A 30 -1.076 7.194 8.317 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.214 6.686 8.355 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.660 8.117 7.578 1.00 10.00 O ATOM 0 H ASP A 30 1.330 6.438 11.125 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.518 5.866 10.609 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.510 7.505 9.674 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.707 6.111 8.630 1.00 10.00 H new ATOM 453 N TRP A 31 0.859 3.681 10.386 1.00 10.00 N ATOM 454 CA TRP A 31 1.229 2.286 10.197 1.00 10.00 C ATOM 455 C TRP A 31 0.993 1.477 11.490 1.00 10.00 C ATOM 456 O TRP A 31 0.505 0.355 11.412 1.00 10.00 O ATOM 457 CB TRP A 31 2.673 2.220 9.663 1.00 10.00 C ATOM 458 CG TRP A 31 2.880 2.832 8.299 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.804 4.154 8.022 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.132 2.192 7.009 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.972 4.390 6.677 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.179 3.213 6.008 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.274 0.858 6.558 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.320 2.936 4.650 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.346 0.571 5.184 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.310 1.605 4.240 1.00 10.00 C ATOM 0 H TRP A 31 1.602 4.222 10.829 1.00 10.00 H new ATOM 0 HA TRP A 31 0.591 1.815 9.449 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.330 2.723 10.373 1.00 10.00 H new ATOM 0 HB3 TRP A 31 2.983 1.176 9.626 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.634 4.924 8.760 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.946 5.311 6.240 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.328 0.053 7.276 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.434 3.735 3.932 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.430 -0.454 4.854 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.274 1.369 3.187 1.00 10.00 H new ATOM 477 N GLU A 32 1.235 2.047 12.680 1.00 10.00 N ATOM 478 CA GLU A 32 0.945 1.440 13.986 1.00 10.00 C ATOM 479 C GLU A 32 -0.413 0.709 14.052 1.00 10.00 C ATOM 480 O GLU A 32 -0.440 -0.503 14.276 1.00 10.00 O ATOM 481 CB GLU A 32 1.078 2.514 15.081 1.00 10.00 C ATOM 482 CG GLU A 32 2.518 2.630 15.610 1.00 10.00 C ATOM 483 CD GLU A 32 2.772 3.969 16.291 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.921 4.350 17.122 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.803 4.593 15.955 1.00 10.00 O ATOM 0 H GLU A 32 1.652 2.974 12.761 1.00 10.00 H new ATOM 0 HA GLU A 32 1.681 0.653 14.153 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.760 3.478 14.683 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.408 2.274 15.906 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.711 1.822 16.316 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.218 2.505 14.784 1.00 10.00 H new ATOM 492 N PRO A 33 -1.552 1.389 13.818 1.00 10.00 N ATOM 493 CA PRO A 33 -2.869 0.763 13.881 1.00 10.00 C ATOM 494 C PRO A 33 -3.088 -0.332 12.823 1.00 10.00 C ATOM 495 O PRO A 33 -4.073 -1.064 12.900 1.00 10.00 O ATOM 496 CB PRO A 33 -3.877 1.913 13.757 1.00 10.00 C ATOM 497 CG PRO A 33 -3.103 3.021 13.043 1.00 10.00 C ATOM 498 CD PRO A 33 -1.672 2.808 13.523 1.00 10.00 C ATOM 0 HA PRO A 33 -2.988 0.223 14.820 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.756 1.611 13.187 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.228 2.241 14.735 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.182 2.934 11.959 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.475 4.010 13.311 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.956 3.109 12.758 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.464 3.409 14.408 1.00 10.00 H new ATOM 506 N ARG A 34 -2.194 -0.458 11.838 1.00 10.00 N ATOM 507 CA ARG A 34 -2.234 -1.495 10.814 1.00 10.00 C ATOM 508 C ARG A 34 -1.309 -2.673 11.213 1.00 10.00 C ATOM 509 O ARG A 34 -1.736 -3.830 11.236 1.00 10.00 O ATOM 510 CB ARG A 34 -1.891 -0.840 9.463 1.00 10.00 C ATOM 511 CG ARG A 34 -3.042 -0.004 8.856 1.00 10.00 C ATOM 512 CD ARG A 34 -3.493 1.218 9.662 1.00 10.00 C ATOM 513 NE ARG A 34 -4.233 2.164 8.794 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.148 3.073 9.161 1.00 10.00 C ATOM 515 NH1 ARG A 34 -5.502 3.214 10.431 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.733 3.845 8.252 1.00 10.00 N ATOM 0 H ARG A 34 -1.403 0.177 11.732 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.226 -1.936 10.717 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -1.020 -0.198 9.593 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.610 -1.619 8.755 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.734 0.334 7.866 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.903 -0.658 8.716 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -4.127 0.902 10.490 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.626 1.715 10.097 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.021 2.118 7.797 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.077 2.626 11.147 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -6.200 3.911 10.692 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.487 3.749 7.267 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.428 4.534 8.539 1.00 10.00 H new ATOM 530 N LEU A 35 -0.071 -2.370 11.627 1.00 10.00 N ATOM 531 CA LEU A 35 0.963 -3.322 12.059 1.00 10.00 C ATOM 532 C LEU A 35 0.579 -4.057 13.359 1.00 10.00 C ATOM 533 O LEU A 35 1.154 -5.087 13.699 1.00 10.00 O ATOM 534 CB LEU A 35 2.306 -2.580 12.236 1.00 10.00 C ATOM 535 CG LEU A 35 3.530 -3.298 11.636 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.794 -2.480 11.933 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.727 -4.730 12.141 1.00 10.00 C ATOM 0 H LEU A 35 0.254 -1.404 11.672 1.00 10.00 H new ATOM 0 HA LEU A 35 1.060 -4.082 11.284 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.222 -1.594 11.779 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.481 -2.424 13.301 1.00 10.00 H new ATOM 0 HG LEU A 35 3.345 -3.373 10.564 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.662 -2.985 11.510 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.699 -1.489 11.489 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.920 -2.384 13.011 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.609 -5.164 11.670 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.861 -4.719 13.223 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.851 -5.328 11.890 1.00 10.00 H new ATOM 549 N ALA A 36 -0.393 -3.520 14.101 1.00 10.00 N ATOM 550 CA ALA A 36 -0.874 -4.059 15.365 1.00 10.00 C ATOM 551 C ALA A 36 -1.881 -5.170 15.083 1.00 10.00 C ATOM 552 O ALA A 36 -1.915 -6.191 15.764 1.00 10.00 O ATOM 553 CB ALA A 36 -1.526 -2.929 16.167 1.00 10.00 C ATOM 0 H ALA A 36 -0.880 -2.668 13.824 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.049 -4.474 15.943 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.891 -3.320 17.117 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.792 -2.146 16.355 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.360 -2.515 15.601 1.00 10.00 H new ATOM 559 N LYS A 37 -2.698 -4.959 14.046 1.00 10.00 N ATOM 560 CA LYS A 37 -3.583 -5.978 13.524 1.00 10.00 C ATOM 561 C LYS A 37 -2.777 -7.105 12.866 1.00 10.00 C ATOM 562 O LYS A 37 -3.030 -8.278 13.119 1.00 10.00 O ATOM 563 CB LYS A 37 -4.570 -5.342 12.537 1.00 10.00 C ATOM 564 CG LYS A 37 -5.560 -4.370 13.194 1.00 10.00 C ATOM 565 CD LYS A 37 -6.617 -5.118 14.026 1.00 10.00 C ATOM 566 CE LYS A 37 -7.972 -4.408 13.908 1.00 10.00 C ATOM 567 NZ LYS A 37 -9.029 -5.105 14.671 1.00 10.00 N ATOM 0 H LYS A 37 -2.756 -4.069 13.551 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.151 -6.420 14.343 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.009 -4.811 11.768 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.129 -6.132 12.036 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.018 -3.674 13.834 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.054 -3.777 12.424 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.704 -6.147 13.678 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.308 -5.159 15.070 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.878 -3.384 14.270 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -8.261 -4.349 12.859 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.928 -4.593 14.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.137 -6.074 14.309 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.766 -5.139 15.677 1.00 10.00 H new ATOM 581 N GLY A 38 -1.835 -6.755 11.979 1.00 10.00 N ATOM 582 CA GLY A 38 -0.983 -7.736 11.307 1.00 10.00 C ATOM 583 C GLY A 38 -0.306 -7.156 10.063 1.00 10.00 C ATOM 584 O GLY A 38 0.246 -6.062 10.116 1.00 10.00 O ATOM 0 H GLY A 38 -1.646 -5.789 11.711 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.221 -8.090 12.002 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.582 -8.601 11.023 1.00 10.00 H new ATOM 588 N VAL A 39 -0.346 -7.886 8.943 1.00 10.00 N ATOM 589 CA VAL A 39 0.241 -7.460 7.668 1.00 10.00 C ATOM 590 C VAL A 39 -0.710 -7.798 6.515 1.00 10.00 C ATOM 591 O VAL A 39 -1.135 -6.916 5.765 1.00 10.00 O ATOM 592 CB VAL A 39 1.616 -8.113 7.438 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.375 -7.346 6.351 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.490 -8.156 8.700 1.00 10.00 C ATOM 0 H VAL A 39 -0.793 -8.802 8.896 1.00 10.00 H new ATOM 0 HA VAL A 39 0.388 -6.381 7.706 1.00 10.00 H new ATOM 0 HB VAL A 39 1.419 -9.142 7.138 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.348 -7.810 6.190 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.804 -7.369 5.423 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.514 -6.312 6.665 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.444 -8.629 8.466 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.666 -7.141 9.056 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.982 -8.729 9.475 1.00 10.00 H new ATOM 604 N ASP A 40 -1.119 -9.070 6.425 1.00 10.00 N ATOM 605 CA ASP A 40 -1.978 -9.613 5.372 1.00 10.00 C ATOM 606 C ASP A 40 -3.454 -9.193 5.514 1.00 10.00 C ATOM 607 O ASP A 40 -4.374 -9.929 5.164 1.00 10.00 O ATOM 608 CB ASP A 40 -1.824 -11.140 5.356 1.00 10.00 C ATOM 609 CG ASP A 40 -0.389 -11.600 5.176 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.452 -10.760 4.802 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.092 -12.788 5.400 1.00 10.00 O ATOM 0 H ASP A 40 -0.849 -9.774 7.112 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.656 -9.195 4.418 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.214 -11.547 6.289 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.433 -11.551 4.551 1.00 10.00 H new ATOM 616 N ASN A 41 -3.663 -7.972 5.999 1.00 10.00 N ATOM 617 CA ASN A 41 -4.932 -7.325 6.254 1.00 10.00 C ATOM 618 C ASN A 41 -5.052 -6.195 5.226 1.00 10.00 C ATOM 619 O ASN A 41 -5.982 -6.126 4.425 1.00 10.00 O ATOM 620 CB ASN A 41 -4.912 -6.744 7.681 1.00 10.00 C ATOM 621 CG ASN A 41 -4.255 -7.587 8.766 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.123 -8.801 8.690 1.00 10.00 O ATOM 623 ND2 ASN A 41 -3.803 -6.904 9.806 1.00 10.00 N ATOM 0 H ASN A 41 -2.879 -7.366 6.241 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.772 -8.015 6.172 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.403 -5.781 7.647 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.942 -6.550 7.981 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -3.331 -7.390 10.569 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.926 -5.892 9.844 1.00 10.00 H new ATOM 630 N LEU A 42 -4.041 -5.324 5.197 1.00 10.00 N ATOM 631 CA LEU A 42 -4.058 -4.149 4.345 1.00 10.00 C ATOM 632 C LEU A 42 -3.750 -4.530 2.902 1.00 10.00 C ATOM 633 O LEU A 42 -4.326 -3.959 1.986 1.00 10.00 O ATOM 634 CB LEU A 42 -3.066 -3.114 4.861 1.00 10.00 C ATOM 635 CG LEU A 42 -3.526 -2.341 6.113 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.851 -1.597 5.897 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.631 -3.252 7.339 1.00 10.00 C ATOM 0 H LEU A 42 -3.197 -5.418 5.762 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.056 -3.710 4.370 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.125 -3.615 5.087 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.863 -2.398 4.064 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.753 -1.595 6.298 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.126 -1.071 6.811 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.737 -0.879 5.085 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.633 -2.312 5.641 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.958 -2.668 8.199 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.353 -4.044 7.143 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.657 -3.693 7.549 1.00 10.00 H new ATOM 649 N VAL A 43 -2.917 -5.552 2.685 1.00 10.00 N ATOM 650 CA VAL A 43 -2.696 -6.107 1.357 1.00 10.00 C ATOM 651 C VAL A 43 -3.979 -6.732 0.785 1.00 10.00 C ATOM 652 O VAL A 43 -4.068 -6.992 -0.410 1.00 10.00 O ATOM 653 CB VAL A 43 -1.534 -7.106 1.412 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.017 -8.504 1.777 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.790 -7.181 0.073 1.00 10.00 C ATOM 0 H VAL A 43 -2.383 -6.011 3.423 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.425 -5.303 0.673 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.855 -6.743 2.183 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.167 -9.186 1.807 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.497 -8.479 2.755 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.733 -8.848 1.030 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.027 -7.899 0.150 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.480 -7.499 -0.709 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.387 -6.199 -0.175 1.00 10.00 H new ATOM 665 N LYS A 44 -4.982 -6.973 1.639 1.00 10.00 N ATOM 666 CA LYS A 44 -6.332 -7.322 1.214 1.00 10.00 C ATOM 667 C LYS A 44 -7.168 -6.061 0.934 1.00 10.00 C ATOM 668 O LYS A 44 -7.749 -5.963 -0.140 1.00 10.00 O ATOM 669 CB LYS A 44 -7.014 -8.259 2.224 1.00 10.00 C ATOM 670 CG LYS A 44 -6.144 -9.444 2.671 1.00 10.00 C ATOM 671 CD LYS A 44 -5.970 -10.550 1.613 1.00 10.00 C ATOM 672 CE LYS A 44 -4.508 -10.717 1.176 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.208 -12.071 0.663 1.00 10.00 N ATOM 0 H LYS A 44 -4.872 -6.929 2.652 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.258 -7.872 0.276 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.300 -7.681 3.103 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.933 -8.644 1.782 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.159 -9.069 2.950 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.584 -9.883 3.567 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.336 -11.495 2.015 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.582 -10.316 0.742 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.280 -9.983 0.403 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.855 -10.502 2.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.364 -12.033 0.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.032 -12.714 1.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.017 -12.420 0.110 1.00 10.00 H new ATOM 687 N SER A 45 -7.209 -5.061 1.827 1.00 10.00 N ATOM 688 CA SER A 45 -7.983 -3.839 1.574 1.00 10.00 C ATOM 689 C SER A 45 -7.504 -3.153 0.295 1.00 10.00 C ATOM 690 O SER A 45 -8.303 -2.673 -0.509 1.00 10.00 O ATOM 691 CB SER A 45 -7.923 -2.865 2.756 1.00 10.00 C ATOM 692 OG SER A 45 -8.658 -3.390 3.846 1.00 10.00 O ATOM 0 H SER A 45 -6.720 -5.074 2.722 1.00 10.00 H new ATOM 0 HA SER A 45 -9.024 -4.137 1.448 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.887 -2.699 3.050 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.330 -1.897 2.463 1.00 10.00 H new ATOM 0 HG SER A 45 -8.616 -2.765 4.600 1.00 10.00 H new ATOM 698 N VAL A 46 -6.187 -3.163 0.080 1.00 10.00 N ATOM 699 CA VAL A 46 -5.576 -2.528 -1.068 1.00 10.00 C ATOM 700 C VAL A 46 -6.068 -3.169 -2.379 1.00 10.00 C ATOM 701 O VAL A 46 -6.426 -2.481 -3.335 1.00 10.00 O ATOM 702 CB VAL A 46 -4.047 -2.528 -0.868 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.438 -3.867 -1.248 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.283 -1.481 -1.657 1.00 10.00 C ATOM 0 H VAL A 46 -5.520 -3.616 0.705 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.881 -1.485 -1.155 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.944 -2.302 0.193 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.359 -3.833 -1.095 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.868 -4.652 -0.626 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.649 -4.078 -2.296 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.218 -1.569 -1.443 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.452 -1.633 -2.723 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.629 -0.487 -1.373 1.00 10.00 H new ATOM 714 N LYS A 47 -6.148 -4.506 -2.398 1.00 10.00 N ATOM 715 CA LYS A 47 -6.594 -5.276 -3.556 1.00 10.00 C ATOM 716 C LYS A 47 -8.120 -5.251 -3.707 1.00 10.00 C ATOM 717 O LYS A 47 -8.651 -5.288 -4.812 1.00 10.00 O ATOM 718 CB LYS A 47 -5.974 -6.684 -3.515 1.00 10.00 C ATOM 719 CG LYS A 47 -6.852 -7.777 -2.903 1.00 10.00 C ATOM 720 CD LYS A 47 -6.003 -8.936 -2.358 1.00 10.00 C ATOM 721 CE LYS A 47 -5.580 -10.014 -3.380 1.00 10.00 C ATOM 722 NZ LYS A 47 -4.134 -9.998 -3.717 1.00 10.00 N ATOM 0 H LYS A 47 -5.900 -5.086 -1.597 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.231 -4.806 -4.470 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.717 -6.978 -4.533 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.042 -6.634 -2.952 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -7.454 -7.355 -2.098 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.545 -8.154 -3.655 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.102 -8.518 -1.909 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -6.562 -9.423 -1.559 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -5.839 -10.996 -2.984 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.157 -9.878 -4.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -3.983 -10.489 -4.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -3.808 -9.014 -3.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -3.597 -10.479 -2.967 1.00 10.00 H new ATOM 736 N THR A 48 -8.824 -5.144 -2.582 1.00 10.00 N ATOM 737 CA THR A 48 -10.278 -5.027 -2.526 1.00 10.00 C ATOM 738 C THR A 48 -10.775 -3.634 -2.941 1.00 10.00 C ATOM 739 O THR A 48 -11.907 -3.522 -3.404 1.00 10.00 O ATOM 740 CB THR A 48 -10.759 -5.418 -1.119 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.472 -6.785 -0.905 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.262 -5.234 -0.909 1.00 10.00 C ATOM 0 H THR A 48 -8.387 -5.136 -1.661 1.00 10.00 H new ATOM 0 HA THR A 48 -10.710 -5.714 -3.254 1.00 10.00 H new ATOM 0 HB THR A 48 -10.240 -4.759 -0.423 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.538 -6.883 -0.626 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.526 -5.530 0.106 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.525 -4.187 -1.062 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.807 -5.853 -1.621 1.00 10.00 H new ATOM 750 N GLY A 49 -9.962 -2.575 -2.805 1.00 10.00 N ATOM 751 CA GLY A 49 -10.402 -1.210 -3.088 1.00 10.00 C ATOM 752 C GLY A 49 -11.186 -0.608 -1.922 1.00 10.00 C ATOM 753 O GLY A 49 -12.271 -1.074 -1.584 1.00 10.00 O ATOM 0 H GLY A 49 -8.992 -2.644 -2.499 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.534 -0.586 -3.302 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -11.024 -1.208 -3.983 1.00 10.00 H new ATOM 757 N LEU A 50 -10.630 0.440 -1.312 1.00 10.00 N ATOM 758 CA LEU A 50 -11.269 1.170 -0.218 1.00 10.00 C ATOM 759 C LEU A 50 -11.797 2.530 -0.698 1.00 10.00 C ATOM 760 O LEU A 50 -12.231 2.670 -1.841 1.00 10.00 O ATOM 761 CB LEU A 50 -10.284 1.314 0.951 1.00 10.00 C ATOM 762 CG LEU A 50 -11.059 1.445 2.280 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.386 0.063 2.855 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.278 2.265 3.309 1.00 10.00 C ATOM 0 H LEU A 50 -9.714 0.809 -1.567 1.00 10.00 H new ATOM 0 HA LEU A 50 -12.133 0.606 0.134 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.623 0.448 0.989 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.653 2.190 0.800 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.989 1.970 2.062 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.932 0.178 3.791 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.998 -0.491 2.144 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.461 -0.483 3.040 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.855 2.336 4.231 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.324 1.779 3.514 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.098 3.266 2.916 1.00 10.00 H new ATOM 776 N ASN A 51 -11.759 3.558 0.157 1.00 10.00 N ATOM 777 CA ASN A 51 -12.133 4.898 -0.265 1.00 10.00 C ATOM 778 C ASN A 51 -10.975 5.516 -0.992 1.00 10.00 C ATOM 779 O ASN A 51 -9.810 5.356 -0.637 1.00 10.00 O ATOM 780 CB ASN A 51 -12.542 5.821 0.880 1.00 10.00 C ATOM 781 CG ASN A 51 -13.348 5.001 1.850 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.929 4.684 2.954 1.00 10.00 O ATOM 783 ND2 ASN A 51 -14.403 4.434 1.299 1.00 10.00 N ATOM 0 H ASN A 51 -11.475 3.482 1.134 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.009 4.789 -0.905 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -11.662 6.240 1.369 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -13.129 6.660 0.506 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -14.905 3.699 1.797 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -14.717 4.731 0.375 1.00 10.00 H new ATOM 790 N ALA A 52 -11.363 6.239 -2.021 1.00 10.00 N ATOM 791 CA ALA A 52 -10.476 7.063 -2.816 1.00 10.00 C ATOM 792 C ALA A 52 -9.295 6.251 -3.392 1.00 10.00 C ATOM 793 O ALA A 52 -8.265 6.822 -3.751 1.00 10.00 O ATOM 794 CB ALA A 52 -10.075 8.228 -1.906 1.00 10.00 C ATOM 0 H ALA A 52 -12.332 6.271 -2.337 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.958 7.452 -3.713 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.401 8.895 -2.444 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.967 8.778 -1.605 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.571 7.841 -1.020 1.00 10.00 H new ATOM 800 N MET A 53 -9.461 4.920 -3.498 1.00 10.00 N ATOM 801 CA MET A 53 -8.420 3.989 -3.909 1.00 10.00 C ATOM 802 C MET A 53 -9.019 2.841 -4.742 1.00 10.00 C ATOM 803 O MET A 53 -9.937 2.171 -4.269 1.00 10.00 O ATOM 804 CB MET A 53 -7.780 3.462 -2.624 1.00 10.00 C ATOM 805 CG MET A 53 -6.311 3.101 -2.798 1.00 10.00 C ATOM 806 SD MET A 53 -5.578 2.825 -1.176 1.00 10.00 S ATOM 807 CE MET A 53 -5.730 1.037 -1.063 1.00 10.00 C ATOM 0 H MET A 53 -10.349 4.461 -3.293 1.00 10.00 H new ATOM 0 HA MET A 53 -7.677 4.477 -4.539 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.873 4.216 -1.842 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.327 2.582 -2.286 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.214 2.206 -3.412 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.785 3.902 -3.317 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.096 0.668 -0.256 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.768 0.772 -0.859 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.418 0.585 -2.005 1.00 10.00 H new ATOM 817 N PRO A 54 -8.553 2.604 -5.981 1.00 10.00 N ATOM 818 CA PRO A 54 -9.179 1.631 -6.865 1.00 10.00 C ATOM 819 C PRO A 54 -8.903 0.184 -6.419 1.00 10.00 C ATOM 820 O PRO A 54 -7.838 -0.099 -5.864 1.00 10.00 O ATOM 821 CB PRO A 54 -8.621 1.930 -8.260 1.00 10.00 C ATOM 822 CG PRO A 54 -7.267 2.584 -7.980 1.00 10.00 C ATOM 823 CD PRO A 54 -7.473 3.310 -6.652 1.00 10.00 C ATOM 0 HA PRO A 54 -10.266 1.717 -6.850 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.511 1.020 -8.850 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.278 2.595 -8.819 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.472 1.841 -7.909 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.987 3.276 -8.774 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.563 3.295 -6.052 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.731 4.357 -6.814 1.00 10.00 H new ATOM 831 N PRO A 55 -9.847 -0.743 -6.666 1.00 10.00 N ATOM 832 CA PRO A 55 -9.718 -2.145 -6.294 1.00 10.00 C ATOM 833 C PRO A 55 -8.546 -2.779 -7.032 1.00 10.00 C ATOM 834 O PRO A 55 -8.565 -2.857 -8.259 1.00 10.00 O ATOM 835 CB PRO A 55 -11.065 -2.793 -6.625 1.00 10.00 C ATOM 836 CG PRO A 55 -11.611 -1.919 -7.753 1.00 10.00 C ATOM 837 CD PRO A 55 -11.084 -0.528 -7.400 1.00 10.00 C ATOM 0 HA PRO A 55 -9.498 -2.281 -5.235 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.945 -3.829 -6.942 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.731 -2.798 -5.762 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.254 -2.250 -8.728 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.700 -1.940 -7.788 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.907 0.062 -8.299 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.806 0.021 -6.796 1.00 10.00 H new ATOM 845 N GLY A 56 -7.508 -3.167 -6.282 1.00 10.00 N ATOM 846 CA GLY A 56 -6.245 -3.602 -6.854 1.00 10.00 C ATOM 847 C GLY A 56 -5.089 -2.661 -6.514 1.00 10.00 C ATOM 848 O GLY A 56 -3.930 -2.989 -6.752 1.00 10.00 O ATOM 0 H GLY A 56 -7.528 -3.185 -5.262 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.012 -4.603 -6.491 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.346 -3.671 -7.937 1.00 10.00 H new ATOM 852 N GLY A 57 -5.356 -1.478 -5.950 1.00 10.00 N ATOM 853 CA GLY A 57 -4.295 -0.511 -5.693 1.00 10.00 C ATOM 854 C GLY A 57 -3.595 -0.139 -7.006 1.00 10.00 C ATOM 855 O GLY A 57 -2.373 -0.211 -7.126 1.00 10.00 O ATOM 0 H GLY A 57 -6.288 -1.174 -5.667 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.711 0.382 -5.227 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.573 -0.929 -4.992 1.00 10.00 H new ATOM 859 N MET A 58 -4.403 0.203 -8.013 1.00 10.00 N ATOM 860 CA MET A 58 -3.996 0.556 -9.372 1.00 10.00 C ATOM 861 C MET A 58 -3.605 -0.674 -10.218 1.00 10.00 C ATOM 862 O MET A 58 -4.073 -0.811 -11.347 1.00 10.00 O ATOM 863 CB MET A 58 -2.923 1.655 -9.334 1.00 10.00 C ATOM 864 CG MET A 58 -3.027 2.674 -10.476 1.00 10.00 C ATOM 865 SD MET A 58 -2.675 2.102 -12.159 1.00 10.00 S ATOM 866 CE MET A 58 -4.345 2.010 -12.836 1.00 10.00 C ATOM 0 H MET A 58 -5.415 0.243 -7.893 1.00 10.00 H new ATOM 0 HA MET A 58 -4.859 0.970 -9.893 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.993 2.183 -8.383 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.939 1.188 -9.367 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.037 3.084 -10.467 1.00 10.00 H new ATOM 0 HG3 MET A 58 -2.347 3.496 -10.253 1.00 10.00 H new ATOM 0 HE1 MET A 58 -4.316 1.523 -13.811 1.00 10.00 H new ATOM 0 HE2 MET A 58 -4.980 1.435 -12.162 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.749 3.016 -12.945 1.00 10.00 H new ATOM 876 N CYS A 59 -2.809 -1.606 -9.679 1.00 10.00 N ATOM 877 CA CYS A 59 -2.445 -2.823 -10.414 1.00 10.00 C ATOM 878 C CYS A 59 -3.601 -3.836 -10.423 1.00 10.00 C ATOM 879 O CYS A 59 -4.512 -3.765 -9.604 1.00 10.00 O ATOM 880 CB CYS A 59 -1.149 -3.433 -9.849 1.00 10.00 C ATOM 881 SG CYS A 59 -1.187 -4.030 -8.137 1.00 10.00 S ATOM 0 H CYS A 59 -2.407 -1.542 -8.744 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.254 -2.551 -11.452 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.861 -4.266 -10.490 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.362 -2.683 -9.927 1.00 10.00 H new ATOM 886 N THR A 60 -3.575 -4.771 -11.375 1.00 10.00 N ATOM 887 CA THR A 60 -4.617 -5.780 -11.569 1.00 10.00 C ATOM 888 C THR A 60 -4.095 -7.166 -11.184 1.00 10.00 C ATOM 889 O THR A 60 -4.484 -7.728 -10.161 1.00 10.00 O ATOM 890 CB THR A 60 -5.069 -5.744 -13.036 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.934 -5.843 -13.877 1.00 10.00 O ATOM 892 CG2 THR A 60 -5.781 -4.425 -13.343 1.00 10.00 C ATOM 0 H THR A 60 -2.812 -4.849 -12.047 1.00 10.00 H new ATOM 0 HA THR A 60 -5.470 -5.563 -10.927 1.00 10.00 H new ATOM 0 HB THR A 60 -5.751 -6.576 -13.210 1.00 10.00 H new ATOM 0 HG1 THR A 60 -4.219 -5.822 -14.815 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.095 -4.415 -14.387 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.655 -4.325 -12.700 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.100 -3.593 -13.161 1.00 10.00 H new ATOM 900 N ASP A 61 -3.170 -7.699 -11.984 1.00 10.00 N ATOM 901 CA ASP A 61 -2.562 -9.009 -11.797 1.00 10.00 C ATOM 902 C ASP A 61 -1.467 -8.950 -10.707 1.00 10.00 C ATOM 903 O ASP A 61 -0.309 -9.286 -10.928 1.00 10.00 O ATOM 904 CB ASP A 61 -2.058 -9.467 -13.178 1.00 10.00 C ATOM 905 CG ASP A 61 -1.631 -10.927 -13.215 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.179 -11.703 -12.405 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.799 -11.242 -14.093 1.00 10.00 O ATOM 0 H ASP A 61 -2.815 -7.211 -12.806 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.274 -9.747 -11.428 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.846 -9.308 -13.914 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.215 -8.843 -13.474 1.00 10.00 H new ATOM 912 N CYS A 62 -1.839 -8.464 -9.518 1.00 10.00 N ATOM 913 CA CYS A 62 -0.934 -8.267 -8.384 1.00 10.00 C ATOM 914 C CYS A 62 -0.801 -9.554 -7.552 1.00 10.00 C ATOM 915 O CYS A 62 -1.762 -9.991 -6.913 1.00 10.00 O ATOM 916 CB CYS A 62 -1.411 -7.110 -7.487 1.00 10.00 C ATOM 917 SG CYS A 62 -2.426 -5.748 -8.126 1.00 10.00 S ATOM 0 H CYS A 62 -2.800 -8.191 -9.314 1.00 10.00 H new ATOM 0 HA CYS A 62 0.045 -8.011 -8.790 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.970 -7.559 -6.666 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.518 -6.659 -7.055 1.00 10.00 H new ATOM 922 N THR A 63 0.400 -10.134 -7.502 1.00 10.00 N ATOM 923 CA THR A 63 0.668 -11.355 -6.751 1.00 10.00 C ATOM 924 C THR A 63 1.131 -10.971 -5.348 1.00 10.00 C ATOM 925 O THR A 63 2.063 -10.178 -5.217 1.00 10.00 O ATOM 926 CB THR A 63 1.733 -12.174 -7.495 1.00 10.00 C ATOM 927 OG1 THR A 63 1.289 -12.393 -8.816 1.00 10.00 O ATOM 928 CG2 THR A 63 1.954 -13.545 -6.857 1.00 10.00 C ATOM 0 H THR A 63 1.218 -9.764 -7.986 1.00 10.00 H new ATOM 0 HA THR A 63 -0.229 -11.968 -6.662 1.00 10.00 H new ATOM 0 HB THR A 63 2.667 -11.613 -7.458 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.960 -12.914 -9.305 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.715 -14.088 -7.417 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.283 -13.418 -5.826 1.00 10.00 H new ATOM 0 HG23 THR A 63 1.021 -14.108 -6.873 1.00 10.00 H new ATOM 936 N ASP A 64 0.492 -11.512 -4.302 1.00 10.00 N ATOM 937 CA ASP A 64 0.779 -11.229 -2.902 1.00 10.00 C ATOM 938 C ASP A 64 2.292 -11.204 -2.584 1.00 10.00 C ATOM 939 O ASP A 64 2.731 -10.366 -1.801 1.00 10.00 O ATOM 940 CB ASP A 64 -0.038 -12.204 -2.047 1.00 10.00 C ATOM 941 CG ASP A 64 -1.469 -11.750 -1.773 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.110 -11.170 -2.677 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.945 -12.002 -0.646 1.00 10.00 O ATOM 0 H ASP A 64 -0.267 -12.183 -4.420 1.00 10.00 H new ATOM 0 HA ASP A 64 0.469 -10.213 -2.656 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.066 -13.172 -2.547 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.473 -12.351 -1.095 1.00 10.00 H new ATOM 948 N GLU A 65 3.094 -12.044 -3.249 1.00 10.00 N ATOM 949 CA GLU A 65 4.551 -11.912 -3.327 1.00 10.00 C ATOM 950 C GLU A 65 5.020 -10.462 -3.588 1.00 10.00 C ATOM 951 O GLU A 65 5.616 -9.837 -2.704 1.00 10.00 O ATOM 952 CB GLU A 65 5.087 -12.871 -4.402 1.00 10.00 C ATOM 953 CG GLU A 65 4.763 -14.345 -4.095 1.00 10.00 C ATOM 954 CD GLU A 65 5.528 -15.306 -4.999 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.771 -15.182 -5.027 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.855 -16.145 -5.634 1.00 10.00 O ATOM 0 H GLU A 65 2.738 -12.853 -3.759 1.00 10.00 H new ATOM 0 HA GLU A 65 4.960 -12.180 -2.353 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.660 -12.603 -5.368 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.167 -12.750 -4.486 1.00 10.00 H new ATOM 0 HG2 GLU A 65 5.005 -14.559 -3.054 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.692 -14.512 -4.214 1.00 10.00 H new ATOM 963 N ASP A 66 4.732 -9.895 -4.771 1.00 10.00 N ATOM 964 CA ASP A 66 5.200 -8.550 -5.096 1.00 10.00 C ATOM 965 C ASP A 66 4.389 -7.505 -4.312 1.00 10.00 C ATOM 966 O ASP A 66 4.896 -6.447 -3.945 1.00 10.00 O ATOM 967 CB ASP A 66 5.156 -8.326 -6.620 1.00 10.00 C ATOM 968 CG ASP A 66 6.421 -8.782 -7.323 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.494 -8.266 -6.941 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.276 -9.596 -8.255 1.00 10.00 O ATOM 0 H ASP A 66 4.185 -10.345 -5.505 1.00 10.00 H new ATOM 0 HA ASP A 66 6.240 -8.436 -4.791 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.303 -8.862 -7.036 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.997 -7.267 -6.822 1.00 10.00 H new ATOM 975 N TYR A 67 3.129 -7.822 -3.997 1.00 10.00 N ATOM 976 CA TYR A 67 2.241 -6.945 -3.244 1.00 10.00 C ATOM 977 C TYR A 67 2.801 -6.650 -1.844 1.00 10.00 C ATOM 978 O TYR A 67 2.953 -5.498 -1.435 1.00 10.00 O ATOM 979 CB TYR A 67 0.873 -7.639 -3.149 1.00 10.00 C ATOM 980 CG TYR A 67 -0.361 -6.830 -3.461 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.373 -5.424 -3.385 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.496 -7.523 -3.917 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.468 -4.713 -3.901 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.624 -6.809 -4.341 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.589 -5.413 -4.368 1.00 10.00 C ATOM 986 OH TYR A 67 -3.677 -4.746 -4.814 1.00 10.00 O ATOM 0 H TYR A 67 2.697 -8.707 -4.263 1.00 10.00 H new ATOM 0 HA TYR A 67 2.148 -5.985 -3.753 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.888 -8.497 -3.822 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.768 -8.030 -2.137 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.454 -4.897 -2.933 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.498 -8.603 -3.940 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.447 -3.634 -3.938 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.516 -7.335 -4.646 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.394 -4.018 -5.407 1.00 10.00 H new ATOM 996 N LYS A 68 3.136 -7.713 -1.108 1.00 10.00 N ATOM 997 CA LYS A 68 3.750 -7.612 0.205 1.00 10.00 C ATOM 998 C LYS A 68 5.142 -7.021 0.064 1.00 10.00 C ATOM 999 O LYS A 68 5.425 -6.063 0.759 1.00 10.00 O ATOM 1000 CB LYS A 68 3.771 -8.949 0.952 1.00 10.00 C ATOM 1001 CG LYS A 68 2.365 -9.297 1.455 1.00 10.00 C ATOM 1002 CD LYS A 68 2.326 -10.615 2.240 1.00 10.00 C ATOM 1003 CE LYS A 68 3.081 -10.542 3.577 1.00 10.00 C ATOM 1004 NZ LYS A 68 2.798 -11.735 4.405 1.00 10.00 N ATOM 0 H LYS A 68 2.984 -8.674 -1.416 1.00 10.00 H new ATOM 0 HA LYS A 68 3.140 -6.947 0.816 1.00 10.00 H new ATOM 0 HB2 LYS A 68 4.134 -9.737 0.292 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.462 -8.893 1.793 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.001 -8.490 2.090 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.686 -9.365 0.605 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.288 -10.887 2.430 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.757 -11.408 1.629 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.153 -10.468 3.391 1.00 10.00 H new ATOM 0 HE3 LYS A 68 2.788 -9.641 4.117 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.659 -12.014 4.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.045 -11.513 5.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 2.490 -12.517 3.793 1.00 10.00 H new ATOM 1018 N ALA A 69 5.977 -7.489 -0.867 1.00 10.00 N ATOM 1019 CA ALA A 69 7.247 -6.811 -1.142 1.00 10.00 C ATOM 1020 C ALA A 69 7.100 -5.284 -1.349 1.00 10.00 C ATOM 1021 O ALA A 69 8.011 -4.519 -1.045 1.00 10.00 O ATOM 1022 CB ALA A 69 7.925 -7.487 -2.329 1.00 10.00 C ATOM 0 H ALA A 69 5.802 -8.319 -1.434 1.00 10.00 H new ATOM 0 HA ALA A 69 7.877 -6.909 -0.258 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.871 -6.988 -2.540 1.00 10.00 H new ATOM 0 HB2 ALA A 69 8.112 -8.535 -2.093 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.277 -7.422 -3.203 1.00 10.00 H new ATOM 1028 N ALA A 70 5.950 -4.823 -1.856 1.00 10.00 N ATOM 1029 CA ALA A 70 5.683 -3.414 -2.154 1.00 10.00 C ATOM 1030 C ALA A 70 5.205 -2.644 -0.920 1.00 10.00 C ATOM 1031 O ALA A 70 5.562 -1.484 -0.752 1.00 10.00 O ATOM 1032 CB ALA A 70 4.690 -3.299 -3.317 1.00 10.00 C ATOM 0 H ALA A 70 5.163 -5.434 -2.075 1.00 10.00 H new ATOM 0 HA ALA A 70 6.622 -2.950 -2.457 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.499 -2.247 -3.530 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.109 -3.778 -4.202 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.755 -3.790 -3.047 1.00 10.00 H new ATOM 1038 N ILE A 71 4.409 -3.278 -0.055 1.00 10.00 N ATOM 1039 CA ILE A 71 3.914 -2.706 1.208 1.00 10.00 C ATOM 1040 C ILE A 71 4.960 -2.813 2.333 1.00 10.00 C ATOM 1041 O ILE A 71 5.269 -1.848 3.037 1.00 10.00 O ATOM 1042 CB ILE A 71 2.568 -3.390 1.529 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.464 -2.630 0.782 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.270 -3.517 3.032 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.262 -3.512 0.452 1.00 10.00 C ATOM 0 H ILE A 71 4.080 -4.230 -0.215 1.00 10.00 H new ATOM 0 HA ILE A 71 3.743 -1.634 1.112 1.00 10.00 H new ATOM 0 HB ILE A 71 2.618 -4.424 1.187 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.135 -1.786 1.389 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.872 -2.219 -0.141 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.307 -4.008 3.172 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.051 -4.108 3.509 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.240 -2.525 3.482 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.488 -2.923 -0.076 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.582 -4.342 -0.179 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.167 -3.902 1.375 1.00 10.00 H new ATOM 1057 N GLU A 72 5.543 -4.000 2.480 1.00 10.00 N ATOM 1058 CA GLU A 72 6.661 -4.287 3.375 1.00 10.00 C ATOM 1059 C GLU A 72 7.822 -3.309 3.191 1.00 10.00 C ATOM 1060 O GLU A 72 8.416 -2.897 4.186 1.00 10.00 O ATOM 1061 CB GLU A 72 7.058 -5.772 3.335 1.00 10.00 C ATOM 1062 CG GLU A 72 8.084 -6.117 2.247 1.00 10.00 C ATOM 1063 CD GLU A 72 9.533 -5.908 2.673 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.898 -6.488 3.717 1.00 10.00 O ATOM 1065 OE2 GLU A 72 10.242 -5.189 1.941 1.00 10.00 O ATOM 0 H GLU A 72 5.237 -4.821 1.958 1.00 10.00 H new ATOM 0 HA GLU A 72 6.322 -4.113 4.396 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.465 -6.055 4.306 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.162 -6.373 3.178 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.949 -7.158 1.952 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.883 -5.507 1.366 1.00 10.00 H new ATOM 1072 N PHE A 73 8.051 -2.860 1.946 1.00 10.00 N ATOM 1073 CA PHE A 73 9.035 -1.829 1.622 1.00 10.00 C ATOM 1074 C PHE A 73 8.990 -0.644 2.600 1.00 10.00 C ATOM 1075 O PHE A 73 10.026 -0.095 2.968 1.00 10.00 O ATOM 1076 CB PHE A 73 8.802 -1.352 0.181 1.00 10.00 C ATOM 1077 CG PHE A 73 9.855 -0.394 -0.340 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.801 0.972 -0.002 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.896 -0.870 -1.159 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.819 1.844 -0.427 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.884 0.014 -1.629 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.854 1.367 -1.253 1.00 10.00 C ATOM 0 H PHE A 73 7.549 -3.211 1.130 1.00 10.00 H new ATOM 0 HA PHE A 73 10.029 -2.267 1.716 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.763 -2.222 -0.475 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.827 -0.867 0.125 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.977 1.350 0.584 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.936 -1.915 -1.427 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.807 2.879 -0.120 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.666 -0.348 -2.280 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.625 2.041 -1.597 1.00 10.00 H new ATOM 1092 N MET A 74 7.782 -0.232 3.006 1.00 10.00 N ATOM 1093 CA MET A 74 7.596 0.897 3.903 1.00 10.00 C ATOM 1094 C MET A 74 7.784 0.497 5.380 1.00 10.00 C ATOM 1095 O MET A 74 8.736 0.922 6.028 1.00 10.00 O ATOM 1096 CB MET A 74 6.200 1.479 3.686 1.00 10.00 C ATOM 1097 CG MET A 74 5.908 2.082 2.297 1.00 10.00 C ATOM 1098 SD MET A 74 5.397 0.911 1.009 1.00 10.00 S ATOM 1099 CE MET A 74 3.841 1.604 0.377 1.00 10.00 C ATOM 0 H MET A 74 6.911 -0.678 2.717 1.00 10.00 H new ATOM 0 HA MET A 74 8.355 1.646 3.675 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.470 0.692 3.875 1.00 10.00 H new ATOM 0 HB3 MET A 74 6.034 2.254 4.435 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.126 2.834 2.407 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.803 2.601 1.953 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.644 1.207 -0.619 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.024 1.332 1.045 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.921 2.690 0.325 1.00 10.00 H new ATOM 1109 N SER A 75 6.840 -0.278 5.934 1.00 10.00 N ATOM 1110 CA SER A 75 6.886 -0.750 7.326 1.00 10.00 C ATOM 1111 C SER A 75 5.963 -1.958 7.569 1.00 10.00 C ATOM 1112 O SER A 75 5.400 -2.113 8.650 1.00 10.00 O ATOM 1113 CB SER A 75 6.560 0.407 8.288 1.00 10.00 C ATOM 1114 OG SER A 75 7.015 0.102 9.596 1.00 10.00 O ATOM 0 H SER A 75 6.016 -0.598 5.424 1.00 10.00 H new ATOM 0 HA SER A 75 7.900 -1.097 7.523 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.031 1.325 7.937 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.485 0.586 8.302 1.00 10.00 H new ATOM 0 HG SER A 75 6.636 -0.755 9.883 1.00 10.00 H new ATOM 1120 N LYS A 76 5.787 -2.817 6.555 1.00 10.00 N ATOM 1121 CA LYS A 76 4.954 -4.029 6.598 1.00 10.00 C ATOM 1122 C LYS A 76 3.661 -3.887 7.414 1.00 10.00 C ATOM 1123 O LYS A 76 3.399 -4.653 8.338 1.00 10.00 O ATOM 1124 CB LYS A 76 5.798 -5.259 6.982 1.00 10.00 C ATOM 1125 CG LYS A 76 6.453 -5.148 8.361 1.00 10.00 C ATOM 1126 CD LYS A 76 7.070 -6.496 8.755 1.00 10.00 C ATOM 1127 CE LYS A 76 7.213 -6.528 10.278 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.858 -7.773 10.743 1.00 10.00 N ATOM 0 H LYS A 76 6.237 -2.683 5.649 1.00 10.00 H new ATOM 0 HA LYS A 76 4.587 -4.188 5.584 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.164 -6.145 6.961 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.575 -5.405 6.231 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.222 -4.376 8.347 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.713 -4.846 9.102 1.00 10.00 H new ATOM 0 HD2 LYS A 76 6.439 -7.317 8.415 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.042 -6.623 8.279 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.800 -5.670 10.606 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.229 -6.435 10.737 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.937 -7.757 11.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 7.285 -8.591 10.452 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.807 -7.849 10.325 1.00 10.00 H new ATOM 1142 N ALA A 77 2.837 -2.915 7.019 1.00 10.00 N ATOM 1143 CA ALA A 77 1.546 -2.656 7.646 1.00 10.00 C ATOM 1144 C ALA A 77 0.457 -2.234 6.664 1.00 10.00 C ATOM 1145 O ALA A 77 -0.628 -2.794 6.701 1.00 10.00 O ATOM 1146 CB ALA A 77 1.688 -1.615 8.756 1.00 10.00 C ATOM 0 H ALA A 77 3.051 -2.282 6.248 1.00 10.00 H new ATOM 0 HA ALA A 77 1.224 -3.607 8.069 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.715 -1.435 9.212 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.381 -1.982 9.513 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.070 -0.685 8.336 1.00 10.00 H new ATOM 1152 N LYS A 78 0.728 -1.213 5.848 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.259 -0.492 5.044 1.00 10.00 C ATOM 1154 C LYS A 78 0.272 -0.060 3.665 1.00 10.00 C ATOM 1155 O LYS A 78 -0.426 0.699 2.965 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.811 0.683 5.888 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.054 2.013 5.750 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.732 3.024 4.805 1.00 10.00 C ATOM 1159 CE LYS A 78 0.283 3.750 3.906 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.811 2.843 2.866 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.416 -0.393 3.315 1.00 10.00 O ATOM 0 H LYS A 78 1.675 -0.853 5.725 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.078 -1.167 4.798 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.852 0.848 5.611 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.803 0.388 6.937 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.048 2.465 6.736 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.953 1.810 5.386 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.460 2.505 4.182 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.282 3.757 5.395 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.192 4.611 3.436 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.104 4.131 4.513 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.977 3.378 1.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.706 2.426 3.191 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.122 2.085 2.684 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.482 3.875 -0.839 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.174 4.303 2.193 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.852 1.110 0.406 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.168 3.346 -3.962 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.949 6.882 -1.952 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.526 2.874 0.959 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.323 3.202 2.025 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.151 2.162 3.005 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.287 1.236 2.466 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.806 1.748 1.213 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.091 -0.172 2.945 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.899 2.033 4.311 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.423 1.877 4.156 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.812 1.169 2.861 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.690 -0.074 2.835 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.219 1.888 1.923 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.240 2.473 -1.634 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.633 1.477 -0.920 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.691 0.825 -1.794 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.861 1.377 -3.050 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.811 2.464 -2.926 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.312 -0.240 -1.378 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.068 1.020 -4.289 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.209 -0.452 -4.705 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.545 4.934 -2.644 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.954 4.500 -3.790 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.258 5.467 -4.827 1.00 10.00 C HETATM 1203 C3C HEC A 90 -3.999 6.485 -4.242 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.199 6.119 -2.858 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.854 5.345 -6.284 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.561 7.762 -4.870 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.439 7.930 -6.385 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.754 5.400 0.020 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.199 6.504 -0.636 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.041 7.237 0.280 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.196 6.461 1.406 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.319 5.322 1.255 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.700 8.571 0.028 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.239 6.662 2.488 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.703 7.218 3.815 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.780 7.387 4.877 1.00 10.00 C HETATM 1217 O1D HEC A 90 -8.950 7.068 4.575 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.401 7.811 5.989 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.936 9.321 -0.177 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.369 8.490 -0.829 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.272 8.866 0.908 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.768 5.294 -6.357 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.289 4.440 -6.708 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.214 6.213 -6.835 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.982 0.167 -0.620 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.219 -1.100 -0.969 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.893 -0.552 -2.246 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.753 -0.160 3.981 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.034 -0.714 2.878 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.343 -0.667 2.325 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.930 6.550 4.195 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.229 8.182 3.632 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.387 7.914 -6.669 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -4.962 7.115 -6.885 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -4.881 8.881 -6.682 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.143 -1.094 -3.897 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.256 -0.672 -4.914 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.386 -0.636 -5.600 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.815 1.316 5.004 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.890 2.862 4.182 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.005 7.340 2.111 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.727 5.707 2.683 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.511 1.172 4.855 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.696 2.913 4.921 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.362 7.829 -2.299 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.811 3.120 -4.967 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.261 0.299 0.831 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.757 4.365 3.112 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.180 8.086 6.517 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.431 1.326 1.149 1.00 10.00 H new