USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -79:sc= 1 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.6 K(o=2.6,f=-2.1!) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.766 K(o=1.4,f=-6.4!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.611 K(o=1.4,f=-6.4) USER MOD Set 3.1: A 49 TYR OH : rot 131:sc= 0.295 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 172:sc= 0.57 (180deg=0.455) USER MOD Set 4.1: A 8 THR OG1 : rot -37:sc= 1.25 USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 1.96 USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= 0.0488 (180deg=0.00624) USER MOD Single : A 6 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.68) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0.586 (180deg=0.513) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0.519 (180deg=0.519) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.899 K(o=0.9,f=-0.025) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -0.209 (180deg=-0.263) USER MOD Single : A 63 ASN : amide:sc= 0.986 K(o=0.99,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.56 (180deg=1.17) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 31:sc= 0.989 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.05) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 1.66 (180deg=1.66) USER MOD Single : A 106 ASN : amide:sc= 1.16 K(o=1.2,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 3.277 -8.136 1.827 1.00 0.00 N ATOM 25 CA LYS A 3 2.026 -7.518 2.254 1.00 0.00 C ATOM 26 C LYS A 3 1.480 -6.792 1.029 1.00 0.00 C ATOM 27 O LYS A 3 1.244 -5.583 1.016 1.00 0.00 O ATOM 28 CB LYS A 3 2.312 -6.603 3.453 1.00 0.00 C ATOM 29 CG LYS A 3 2.878 -7.422 4.624 1.00 0.00 C ATOM 30 CD LYS A 3 3.257 -6.508 5.795 1.00 0.00 C ATOM 31 CE LYS A 3 3.868 -7.309 6.954 1.00 0.00 C ATOM 32 NZ LYS A 3 5.175 -7.895 6.604 1.00 0.00 N ATOM 0 HA LYS A 3 1.275 -8.229 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.022 -5.827 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.396 -6.099 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.140 -8.154 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.754 -7.980 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.969 -5.755 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.372 -5.976 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.985 -6.658 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.182 -8.105 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.146 -8.924 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.388 -7.698 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.915 -7.478 7.204 1.00 0.00 H new ATOM 46 N ILE A 4 1.382 -7.598 -0.024 1.00 0.00 N ATOM 47 CA ILE A 4 1.049 -7.247 -1.384 1.00 0.00 C ATOM 48 C ILE A 4 -0.287 -7.892 -1.751 1.00 0.00 C ATOM 49 O ILE A 4 -0.361 -9.111 -1.905 1.00 0.00 O ATOM 50 CB ILE A 4 2.186 -7.798 -2.255 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.533 -7.093 -2.018 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.839 -7.757 -3.735 1.00 0.00 C ATOM 53 CD1 ILE A 4 3.695 -5.793 -2.815 1.00 0.00 C ATOM 0 H ILE A 4 1.550 -8.600 0.071 1.00 0.00 H new ATOM 0 HA ILE A 4 0.947 -6.171 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 4 2.301 -8.837 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.636 -6.873 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.342 -7.774 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.671 -8.156 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.948 -8.359 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.648 -6.727 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.668 -5.352 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.624 -6.009 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.908 -5.093 -2.533 1.00 0.00 H new ATOM 65 N ILE A 5 -1.342 -7.091 -1.901 1.00 0.00 N ATOM 66 CA ILE A 5 -2.657 -7.597 -2.269 1.00 0.00 C ATOM 67 C ILE A 5 -2.822 -7.657 -3.789 1.00 0.00 C ATOM 68 O ILE A 5 -2.769 -6.646 -4.490 1.00 0.00 O ATOM 69 CB ILE A 5 -3.769 -6.772 -1.592 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.523 -6.527 -0.090 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.135 -7.434 -1.812 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.337 -7.804 0.739 1.00 0.00 C ATOM 0 H ILE A 5 -1.306 -6.080 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.746 -8.620 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.757 -5.791 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.637 -5.903 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.363 -5.964 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.910 -6.839 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.341 -7.497 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.127 -8.436 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.169 -7.539 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.231 -8.422 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.478 -8.360 0.363 1.00 0.00 H new ATOM 84 N HIS A 6 -3.056 -8.862 -4.305 1.00 0.00 N ATOM 85 CA HIS A 6 -3.298 -9.094 -5.717 1.00 0.00 C ATOM 86 C HIS A 6 -4.780 -8.861 -5.989 1.00 0.00 C ATOM 87 O HIS A 6 -5.560 -9.800 -6.127 1.00 0.00 O ATOM 88 CB HIS A 6 -2.773 -10.486 -6.085 1.00 0.00 C ATOM 89 CG HIS A 6 -1.268 -10.535 -5.973 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.510 -11.241 -5.052 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.436 -9.637 -6.576 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.759 -10.791 -5.141 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.828 -9.838 -6.083 1.00 0.00 N ATOM 0 H HIS A 6 -3.082 -9.712 -3.742 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.759 -8.400 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.216 -11.233 -5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.075 -10.737 -7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.722 -8.899 -7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.589 -11.143 -4.547 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.672 -9.349 -6.380 1.00 0.00 H new ATOM 102 N LEU A 7 -5.153 -7.579 -6.015 1.00 0.00 N ATOM 103 CA LEU A 7 -6.518 -7.120 -6.200 1.00 0.00 C ATOM 104 C LEU A 7 -7.093 -7.518 -7.554 1.00 0.00 C ATOM 105 O LEU A 7 -6.368 -7.791 -8.510 1.00 0.00 O ATOM 106 CB LEU A 7 -6.553 -5.589 -6.127 1.00 0.00 C ATOM 107 CG LEU A 7 -6.192 -5.004 -4.763 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.039 -3.490 -4.923 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.288 -5.283 -3.733 1.00 0.00 C ATOM 0 H LEU A 7 -4.488 -6.814 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.113 -7.584 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.866 -5.188 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.552 -5.249 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.268 -5.463 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.781 -3.047 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.249 -3.278 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.978 -3.065 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.002 -4.854 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.224 -4.834 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.420 -6.360 -3.625 1.00 0.00 H new ATOM 121 N THR A 8 -8.421 -7.447 -7.625 1.00 0.00 N ATOM 122 CA THR A 8 -9.209 -7.634 -8.823 1.00 0.00 C ATOM 123 C THR A 8 -10.196 -6.474 -8.888 1.00 0.00 C ATOM 124 O THR A 8 -10.439 -5.815 -7.876 1.00 0.00 O ATOM 125 CB THR A 8 -9.950 -8.979 -8.797 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.898 -9.011 -7.741 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.975 -10.151 -8.638 1.00 0.00 C ATOM 0 H THR A 8 -8.995 -7.248 -6.806 1.00 0.00 H new ATOM 0 HA THR A 8 -8.567 -7.650 -9.704 1.00 0.00 H new ATOM 0 HB THR A 8 -10.468 -9.081 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.533 -8.545 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.532 -11.088 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.275 -10.158 -9.474 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.424 -10.042 -7.704 1.00 0.00 H new ATOM 135 N ASP A 9 -10.787 -6.226 -10.059 1.00 0.00 N ATOM 136 CA ASP A 9 -11.776 -5.167 -10.218 1.00 0.00 C ATOM 137 C ASP A 9 -12.886 -5.323 -9.170 1.00 0.00 C ATOM 138 O ASP A 9 -13.301 -4.355 -8.536 1.00 0.00 O ATOM 139 CB ASP A 9 -12.356 -5.206 -11.635 1.00 0.00 C ATOM 140 CG ASP A 9 -13.222 -3.980 -11.899 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.623 -2.923 -12.201 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.460 -4.117 -11.801 1.00 0.00 O ATOM 0 H ASP A 9 -10.594 -6.749 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.296 -4.200 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.546 -5.248 -12.363 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.949 -6.111 -11.765 1.00 0.00 H new ATOM 147 N ASP A 10 -13.339 -6.566 -8.989 1.00 0.00 N ATOM 148 CA ASP A 10 -14.391 -6.945 -8.056 1.00 0.00 C ATOM 149 C ASP A 10 -14.016 -6.626 -6.606 1.00 0.00 C ATOM 150 O ASP A 10 -14.836 -6.098 -5.860 1.00 0.00 O ATOM 151 CB ASP A 10 -14.692 -8.444 -8.195 1.00 0.00 C ATOM 152 CG ASP A 10 -15.000 -8.847 -9.632 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.020 -8.941 -10.406 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.196 -9.047 -9.931 1.00 0.00 O ATOM 0 H ASP A 10 -12.967 -7.361 -9.509 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.277 -6.361 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.838 -9.018 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.539 -8.702 -7.559 1.00 0.00 H new ATOM 159 N SER A 11 -12.787 -6.953 -6.195 1.00 0.00 N ATOM 160 CA SER A 11 -12.360 -6.744 -4.813 1.00 0.00 C ATOM 161 C SER A 11 -12.003 -5.280 -4.556 1.00 0.00 C ATOM 162 O SER A 11 -12.116 -4.807 -3.425 1.00 0.00 O ATOM 163 CB SER A 11 -11.189 -7.675 -4.483 1.00 0.00 C ATOM 164 OG SER A 11 -10.183 -7.609 -5.475 1.00 0.00 O ATOM 0 H SER A 11 -12.074 -7.362 -6.799 1.00 0.00 H new ATOM 0 HA SER A 11 -13.191 -6.988 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.767 -7.403 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.550 -8.700 -4.396 1.00 0.00 H new ATOM 0 HG SER A 11 -9.448 -8.212 -5.237 1.00 0.00 H new ATOM 170 N PHE A 12 -11.567 -4.570 -5.601 1.00 0.00 N ATOM 171 CA PHE A 12 -11.160 -3.174 -5.567 1.00 0.00 C ATOM 172 C PHE A 12 -11.988 -2.306 -4.615 1.00 0.00 C ATOM 173 O PHE A 12 -11.432 -1.589 -3.789 1.00 0.00 O ATOM 174 CB PHE A 12 -11.202 -2.591 -6.984 1.00 0.00 C ATOM 175 CG PHE A 12 -10.291 -1.397 -7.148 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.685 -0.124 -6.696 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.976 -1.605 -7.599 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.759 0.932 -6.687 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.093 -0.521 -7.703 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.476 0.743 -7.227 1.00 0.00 C ATOM 0 H PHE A 12 -11.487 -4.977 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.143 -3.159 -5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.916 -3.362 -7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.225 -2.299 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.697 0.041 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.646 -2.598 -7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.033 1.888 -6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.119 -0.658 -8.149 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.784 1.571 -7.276 1.00 0.00 H new ATOM 190 N ASP A 13 -13.317 -2.344 -4.728 1.00 0.00 N ATOM 191 CA ASP A 13 -14.179 -1.528 -3.883 1.00 0.00 C ATOM 192 C ASP A 13 -13.917 -1.797 -2.397 1.00 0.00 C ATOM 193 O ASP A 13 -13.489 -0.919 -1.647 1.00 0.00 O ATOM 194 CB ASP A 13 -15.652 -1.790 -4.231 1.00 0.00 C ATOM 195 CG ASP A 13 -16.583 -1.140 -3.211 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.772 0.091 -3.315 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.069 -1.880 -2.328 1.00 0.00 O ATOM 0 H ASP A 13 -13.815 -2.931 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.952 -0.479 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.869 -1.400 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.836 -2.864 -4.263 1.00 0.00 H new ATOM 202 N THR A 14 -14.211 -3.019 -1.972 1.00 0.00 N ATOM 203 CA THR A 14 -14.104 -3.424 -0.586 1.00 0.00 C ATOM 204 C THR A 14 -12.680 -3.291 -0.053 1.00 0.00 C ATOM 205 O THR A 14 -12.481 -2.931 1.103 1.00 0.00 O ATOM 206 CB THR A 14 -14.633 -4.857 -0.472 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.746 -5.006 -1.336 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.050 -5.199 0.960 1.00 0.00 C ATOM 0 H THR A 14 -14.534 -3.762 -2.592 1.00 0.00 H new ATOM 0 HA THR A 14 -14.704 -2.760 0.037 1.00 0.00 H new ATOM 0 HB THR A 14 -13.832 -5.539 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.090 -5.921 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.419 -6.224 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.191 -5.099 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.838 -4.518 1.282 1.00 0.00 H new ATOM 216 N ASP A 15 -11.686 -3.604 -0.882 1.00 0.00 N ATOM 217 CA ASP A 15 -10.302 -3.569 -0.451 1.00 0.00 C ATOM 218 C ASP A 15 -9.750 -2.145 -0.453 1.00 0.00 C ATOM 219 O ASP A 15 -9.218 -1.697 0.554 1.00 0.00 O ATOM 220 CB ASP A 15 -9.448 -4.470 -1.346 1.00 0.00 C ATOM 221 CG ASP A 15 -9.687 -5.961 -1.109 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.867 -6.373 -1.119 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.674 -6.674 -0.936 1.00 0.00 O ATOM 0 H ASP A 15 -11.819 -3.884 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.261 -3.940 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.658 -4.237 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.395 -4.247 -1.175 1.00 0.00 H new ATOM 228 N VAL A 16 -9.827 -1.453 -1.592 1.00 0.00 N ATOM 229 CA VAL A 16 -9.236 -0.138 -1.780 1.00 0.00 C ATOM 230 C VAL A 16 -10.167 0.987 -1.348 1.00 0.00 C ATOM 231 O VAL A 16 -9.794 1.810 -0.512 1.00 0.00 O ATOM 232 CB VAL A 16 -8.824 0.050 -3.250 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.016 1.341 -3.417 1.00 0.00 C ATOM 234 CG2 VAL A 16 -7.986 -1.120 -3.767 1.00 0.00 C ATOM 0 H VAL A 16 -10.311 -1.802 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.354 -0.087 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.745 0.101 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.732 1.460 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.622 2.192 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.118 1.291 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.718 -0.943 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.079 -1.210 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.563 -2.042 -3.692 1.00 0.00 H new ATOM 244 N LEU A 17 -11.370 1.059 -1.926 1.00 0.00 N ATOM 245 CA LEU A 17 -12.266 2.171 -1.620 1.00 0.00 C ATOM 246 C LEU A 17 -12.611 2.182 -0.134 1.00 0.00 C ATOM 247 O LEU A 17 -12.689 3.250 0.468 1.00 0.00 O ATOM 248 CB LEU A 17 -13.487 2.219 -2.548 1.00 0.00 C ATOM 249 CG LEU A 17 -13.101 2.305 -4.037 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.373 2.427 -4.885 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.188 3.501 -4.341 1.00 0.00 C ATOM 0 H LEU A 17 -11.737 0.378 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.740 3.103 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.096 1.330 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.103 3.079 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.552 1.396 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.103 2.488 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.004 1.553 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.917 3.326 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.947 3.514 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.699 4.426 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.269 3.414 -3.762 1.00 0.00 H new ATOM 263 N LYS A 18 -12.768 1.001 0.468 1.00 0.00 N ATOM 264 CA LYS A 18 -13.012 0.879 1.900 1.00 0.00 C ATOM 265 C LYS A 18 -11.731 0.468 2.650 1.00 0.00 C ATOM 266 O LYS A 18 -11.819 -0.180 3.691 1.00 0.00 O ATOM 267 CB LYS A 18 -14.192 -0.076 2.143 1.00 0.00 C ATOM 268 CG LYS A 18 -15.448 0.390 1.392 1.00 0.00 C ATOM 269 CD LYS A 18 -16.633 -0.530 1.708 1.00 0.00 C ATOM 270 CE LYS A 18 -17.942 -0.001 1.111 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.870 0.138 -0.354 1.00 0.00 N ATOM 0 H LYS A 18 -12.729 0.108 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.292 1.851 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.923 -1.081 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.404 -0.132 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.689 1.415 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.258 0.392 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.433 -1.528 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.740 -0.627 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.757 -0.677 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.177 0.966 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.810 0.384 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.193 0.889 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.556 -0.761 -0.773 1.00 0.00 H new ATOM 314 N ALA A 22 -3.943 3.002 4.491 1.00 0.00 N ATOM 315 CA ALA A 22 -3.398 3.520 3.246 1.00 0.00 C ATOM 316 C ALA A 22 -2.988 2.341 2.370 1.00 0.00 C ATOM 317 O ALA A 22 -2.183 1.515 2.801 1.00 0.00 O ATOM 318 CB ALA A 22 -2.219 4.446 3.551 1.00 0.00 C ATOM 0 HA ALA A 22 -4.142 4.107 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.810 4.834 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.559 5.275 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.447 3.889 4.081 1.00 0.00 H new ATOM 324 N ILE A 23 -3.540 2.256 1.157 1.00 0.00 N ATOM 325 CA ILE A 23 -3.286 1.183 0.210 1.00 0.00 C ATOM 326 C ILE A 23 -2.638 1.776 -1.042 1.00 0.00 C ATOM 327 O ILE A 23 -3.238 2.606 -1.724 1.00 0.00 O ATOM 328 CB ILE A 23 -4.592 0.412 -0.080 1.00 0.00 C ATOM 329 CG1 ILE A 23 -4.867 -0.606 1.038 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.566 -0.292 -1.443 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.055 -1.532 0.787 1.00 0.00 C ATOM 0 H ILE A 23 -4.193 2.955 0.803 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.590 0.453 0.624 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.398 1.145 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.975 -1.215 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.037 -0.065 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.507 -0.819 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.430 0.448 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.742 -1.005 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.169 -2.214 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.962 -0.938 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.883 -2.106 -0.123 1.00 0.00 H new ATOM 343 N LEU A 24 -1.418 1.337 -1.352 1.00 0.00 N ATOM 344 CA LEU A 24 -0.699 1.746 -2.548 1.00 0.00 C ATOM 345 C LEU A 24 -1.000 0.720 -3.635 1.00 0.00 C ATOM 346 O LEU A 24 -0.440 -0.376 -3.627 1.00 0.00 O ATOM 347 CB LEU A 24 0.798 1.846 -2.245 1.00 0.00 C ATOM 348 CG LEU A 24 1.613 2.388 -3.433 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.518 3.910 -3.554 1.00 0.00 C ATOM 350 CD2 LEU A 24 3.078 1.959 -3.304 1.00 0.00 C ATOM 0 H LEU A 24 -0.899 0.680 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.016 2.731 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.947 2.495 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.175 0.861 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 24 1.186 1.964 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.109 4.245 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.477 4.199 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.900 4.372 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.647 2.347 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.492 2.353 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.139 0.871 -3.295 1.00 0.00 H new ATOM 362 N VAL A 25 -1.880 1.072 -4.574 1.00 0.00 N ATOM 363 CA VAL A 25 -2.231 0.192 -5.672 1.00 0.00 C ATOM 364 C VAL A 25 -1.244 0.404 -6.809 1.00 0.00 C ATOM 365 O VAL A 25 -1.233 1.461 -7.447 1.00 0.00 O ATOM 366 CB VAL A 25 -3.665 0.414 -6.171 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.998 -0.654 -7.223 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.692 0.319 -5.041 1.00 0.00 C ATOM 0 H VAL A 25 -2.362 1.971 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.181 -0.834 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.717 1.418 -6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.016 -0.504 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.301 -0.572 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.914 -1.644 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.692 0.483 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.642 -0.670 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.475 1.076 -4.288 1.00 0.00 H new ATOM 378 N ASP A 26 -0.452 -0.630 -7.087 1.00 0.00 N ATOM 379 CA ASP A 26 0.445 -0.655 -8.215 1.00 0.00 C ATOM 380 C ASP A 26 -0.303 -1.329 -9.361 1.00 0.00 C ATOM 381 O ASP A 26 -0.653 -2.502 -9.250 1.00 0.00 O ATOM 382 CB ASP A 26 1.740 -1.401 -7.891 1.00 0.00 C ATOM 383 CG ASP A 26 2.567 -1.668 -9.144 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.086 -2.772 -9.304 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.703 -0.675 -10.071 1.00 0.00 O ATOM 0 H ASP A 26 -0.423 -1.479 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 26 0.740 0.359 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.329 -0.817 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.503 -2.347 -7.403 1.00 0.00 H new ATOM 391 N PHE A 27 -0.534 -0.615 -10.459 1.00 0.00 N ATOM 392 CA PHE A 27 -1.182 -1.204 -11.624 1.00 0.00 C ATOM 393 C PHE A 27 -0.064 -1.759 -12.498 1.00 0.00 C ATOM 394 O PHE A 27 0.832 -1.004 -12.880 1.00 0.00 O ATOM 395 CB PHE A 27 -2.046 -0.184 -12.365 1.00 0.00 C ATOM 396 CG PHE A 27 -3.325 0.193 -11.633 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.281 0.989 -10.472 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.570 -0.255 -12.117 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.474 1.364 -9.828 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.761 0.148 -11.490 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.715 0.957 -10.344 1.00 0.00 C ATOM 0 H PHE A 27 -0.283 0.368 -10.565 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.870 -1.998 -11.333 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.458 0.718 -12.536 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.305 -0.586 -13.344 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.330 1.312 -10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.609 -0.911 -12.974 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.435 1.967 -8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.714 -0.165 -11.891 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.630 1.265 -9.861 1.00 0.00 H new ATOM 411 N TRP A 28 -0.108 -3.065 -12.776 1.00 0.00 N ATOM 412 CA TRP A 28 0.900 -3.782 -13.543 1.00 0.00 C ATOM 413 C TRP A 28 0.246 -4.687 -14.582 1.00 0.00 C ATOM 414 O TRP A 28 -0.977 -4.757 -14.676 1.00 0.00 O ATOM 415 CB TRP A 28 1.797 -4.584 -12.585 1.00 0.00 C ATOM 416 CG TRP A 28 1.163 -5.771 -11.926 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.253 -5.724 -10.932 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.374 -7.189 -12.199 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.150 -7.005 -10.604 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.518 -7.949 -11.351 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.218 -7.910 -13.069 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.486 -9.350 -11.377 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.186 -9.317 -13.113 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.316 -10.037 -12.276 1.00 0.00 C ATOM 0 H TRP A 28 -0.871 -3.665 -12.462 1.00 0.00 H new ATOM 0 HA TRP A 28 1.520 -3.066 -14.083 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.671 -4.926 -13.139 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.156 -3.911 -11.807 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.107 -4.821 -10.462 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.853 -7.223 -9.898 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.900 -7.374 -13.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.169 -9.894 -10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.835 -9.847 -13.795 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.286 -11.115 -12.325 1.00 0.00 H new ATOM 435 N ALA A 29 1.073 -5.390 -15.356 1.00 0.00 N ATOM 436 CA ALA A 29 0.644 -6.324 -16.380 1.00 0.00 C ATOM 437 C ALA A 29 1.673 -7.445 -16.489 1.00 0.00 C ATOM 438 O ALA A 29 2.845 -7.228 -16.190 1.00 0.00 O ATOM 439 CB ALA A 29 0.497 -5.603 -17.718 1.00 0.00 C ATOM 0 H ALA A 29 2.088 -5.318 -15.280 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.324 -6.746 -16.112 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.175 -6.312 -18.480 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.244 -4.809 -17.624 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.456 -5.172 -18.006 1.00 0.00 H new ATOM 445 N GLU A 30 1.250 -8.622 -16.951 1.00 0.00 N ATOM 446 CA GLU A 30 2.108 -9.787 -17.129 1.00 0.00 C ATOM 447 C GLU A 30 3.342 -9.453 -17.976 1.00 0.00 C ATOM 448 O GLU A 30 4.426 -9.971 -17.732 1.00 0.00 O ATOM 449 CB GLU A 30 1.278 -10.917 -17.755 1.00 0.00 C ATOM 450 CG GLU A 30 2.033 -12.251 -17.779 1.00 0.00 C ATOM 451 CD GLU A 30 1.151 -13.364 -18.336 1.00 0.00 C ATOM 452 OE1 GLU A 30 0.321 -13.871 -17.552 1.00 0.00 O ATOM 453 OE2 GLU A 30 1.311 -13.671 -19.537 1.00 0.00 O ATOM 0 H GLU A 30 0.280 -8.793 -17.217 1.00 0.00 H new ATOM 0 HA GLU A 30 2.484 -10.112 -16.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.351 -11.037 -17.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.001 -10.641 -18.772 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.932 -12.154 -18.388 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.357 -12.508 -16.771 1.00 0.00 H new ATOM 460 N TRP A 31 3.165 -8.587 -18.974 1.00 0.00 N ATOM 461 CA TRP A 31 4.209 -8.150 -19.893 1.00 0.00 C ATOM 462 C TRP A 31 5.008 -6.949 -19.362 1.00 0.00 C ATOM 463 O TRP A 31 5.971 -6.516 -19.996 1.00 0.00 O ATOM 464 CB TRP A 31 3.543 -7.827 -21.238 1.00 0.00 C ATOM 465 CG TRP A 31 2.338 -6.929 -21.179 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.054 -7.349 -21.102 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.276 -5.469 -21.181 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.209 -6.263 -21.048 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.907 -5.074 -21.108 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.238 -4.437 -21.231 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.513 -3.728 -21.094 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.854 -3.083 -21.220 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.494 -2.728 -21.163 1.00 0.00 C ATOM 0 H TRP A 31 2.260 -8.158 -19.169 1.00 0.00 H new ATOM 0 HA TRP A 31 4.939 -8.951 -20.008 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.286 -7.363 -21.886 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.250 -8.765 -21.710 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.739 -8.382 -21.085 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.806 -6.329 -20.973 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.287 -4.691 -21.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.533 -3.465 -21.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.609 -2.311 -21.256 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.206 -1.687 -21.172 1.00 0.00 H new ATOM 484 N CYS A 32 4.631 -6.381 -18.214 1.00 0.00 N ATOM 485 CA CYS A 32 5.284 -5.193 -17.685 1.00 0.00 C ATOM 486 C CYS A 32 6.600 -5.512 -16.971 1.00 0.00 C ATOM 487 O CYS A 32 6.662 -5.558 -15.742 1.00 0.00 O ATOM 488 CB CYS A 32 4.340 -4.451 -16.749 1.00 0.00 C ATOM 489 SG CYS A 32 5.040 -2.898 -16.157 1.00 0.00 S ATOM 0 H CYS A 32 3.870 -6.732 -17.633 1.00 0.00 H new ATOM 0 HA CYS A 32 5.532 -4.557 -18.535 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.403 -4.250 -17.267 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.103 -5.088 -15.897 1.00 0.00 H new ATOM 494 N GLY A 33 7.670 -5.702 -17.745 1.00 0.00 N ATOM 495 CA GLY A 33 9.013 -5.942 -17.219 1.00 0.00 C ATOM 496 C GLY A 33 9.357 -5.008 -16.043 1.00 0.00 C ATOM 497 O GLY A 33 9.647 -5.486 -14.947 1.00 0.00 O ATOM 0 H GLY A 33 7.627 -5.693 -18.764 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.093 -6.979 -16.892 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.743 -5.803 -18.016 1.00 0.00 H new ATOM 501 N PRO A 34 9.320 -3.678 -16.239 1.00 0.00 N ATOM 502 CA PRO A 34 9.608 -2.708 -15.190 1.00 0.00 C ATOM 503 C PRO A 34 8.796 -2.929 -13.909 1.00 0.00 C ATOM 504 O PRO A 34 9.317 -2.753 -12.809 1.00 0.00 O ATOM 505 CB PRO A 34 9.333 -1.334 -15.808 1.00 0.00 C ATOM 506 CG PRO A 34 9.542 -1.575 -17.303 1.00 0.00 C ATOM 507 CD PRO A 34 9.015 -2.997 -17.486 1.00 0.00 C ATOM 0 HA PRO A 34 10.643 -2.808 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.321 -0.991 -15.593 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.015 -0.576 -15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.991 -0.857 -17.911 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.592 -1.492 -17.584 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.943 -2.998 -17.683 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.495 -3.489 -18.332 1.00 0.00 H new ATOM 515 N CYS A 35 7.530 -3.340 -14.040 1.00 0.00 N ATOM 516 CA CYS A 35 6.675 -3.597 -12.888 1.00 0.00 C ATOM 517 C CYS A 35 7.295 -4.713 -12.056 1.00 0.00 C ATOM 518 O CYS A 35 7.381 -4.617 -10.832 1.00 0.00 O ATOM 519 CB CYS A 35 5.240 -3.977 -13.272 1.00 0.00 C ATOM 520 SG CYS A 35 4.260 -2.799 -14.242 1.00 0.00 S ATOM 0 H CYS A 35 7.078 -3.501 -14.940 1.00 0.00 H new ATOM 0 HA CYS A 35 6.609 -2.671 -12.318 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.284 -4.911 -13.832 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.694 -4.182 -12.351 1.00 0.00 H new ATOM 525 N LYS A 36 7.763 -5.770 -12.728 1.00 0.00 N ATOM 526 CA LYS A 36 8.424 -6.869 -12.053 1.00 0.00 C ATOM 527 C LYS A 36 9.709 -6.347 -11.414 1.00 0.00 C ATOM 528 O LYS A 36 9.956 -6.606 -10.241 1.00 0.00 O ATOM 529 CB LYS A 36 8.723 -8.006 -13.033 1.00 0.00 C ATOM 530 CG LYS A 36 7.458 -8.486 -13.759 1.00 0.00 C ATOM 531 CD LYS A 36 7.874 -9.386 -14.922 1.00 0.00 C ATOM 532 CE LYS A 36 6.699 -9.668 -15.861 1.00 0.00 C ATOM 533 NZ LYS A 36 5.586 -10.347 -15.177 1.00 0.00 N ATOM 0 H LYS A 36 7.692 -5.879 -13.740 1.00 0.00 H new ATOM 0 HA LYS A 36 7.770 -7.271 -11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.456 -7.670 -13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.171 -8.841 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.811 -9.031 -13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.886 -7.634 -14.126 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.681 -8.911 -15.480 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.265 -10.327 -14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.343 -8.729 -16.285 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.041 -10.284 -16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.814 -10.516 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.917 -11.256 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.240 -9.749 -14.400 1.00 0.00 H new ATOM 547 N MET A 37 10.514 -5.589 -12.169 1.00 0.00 N ATOM 548 CA MET A 37 11.761 -5.035 -11.652 1.00 0.00 C ATOM 549 C MET A 37 11.549 -4.244 -10.354 1.00 0.00 C ATOM 550 O MET A 37 12.375 -4.354 -9.451 1.00 0.00 O ATOM 551 CB MET A 37 12.501 -4.215 -12.717 1.00 0.00 C ATOM 552 CG MET A 37 12.995 -5.103 -13.868 1.00 0.00 C ATOM 553 SD MET A 37 14.277 -4.386 -14.932 1.00 0.00 S ATOM 554 CE MET A 37 13.400 -2.987 -15.660 1.00 0.00 C ATOM 0 H MET A 37 10.319 -5.348 -13.141 1.00 0.00 H new ATOM 0 HA MET A 37 12.403 -5.878 -11.397 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.838 -3.444 -13.110 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.349 -3.704 -12.260 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.379 -6.031 -13.445 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.140 -5.366 -14.490 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.066 -2.453 -16.337 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.534 -3.349 -16.213 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.070 -2.313 -14.869 1.00 0.00 H new ATOM 564 N ILE A 38 10.464 -3.467 -10.231 1.00 0.00 N ATOM 565 CA ILE A 38 10.198 -2.743 -8.986 1.00 0.00 C ATOM 566 C ILE A 38 9.509 -3.616 -7.924 1.00 0.00 C ATOM 567 O ILE A 38 9.453 -3.212 -6.763 1.00 0.00 O ATOM 568 CB ILE A 38 9.450 -1.414 -9.216 1.00 0.00 C ATOM 569 CG1 ILE A 38 8.008 -1.618 -9.707 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.248 -0.508 -10.165 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.182 -0.329 -9.670 1.00 0.00 C ATOM 0 H ILE A 38 9.770 -3.327 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 38 11.177 -2.482 -8.584 1.00 0.00 H new ATOM 0 HB ILE A 38 9.369 -0.918 -8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.027 -2.003 -10.727 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.522 -2.374 -9.090 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.707 0.426 -10.317 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.224 -0.295 -9.729 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.380 -1.011 -11.123 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.173 -0.533 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.136 0.044 -8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.649 0.421 -10.309 1.00 0.00 H new ATOM 583 N ALA A 39 8.982 -4.799 -8.272 1.00 0.00 N ATOM 584 CA ALA A 39 8.287 -5.658 -7.313 1.00 0.00 C ATOM 585 C ALA A 39 9.063 -5.861 -6.000 1.00 0.00 C ATOM 586 O ALA A 39 8.478 -5.626 -4.945 1.00 0.00 O ATOM 587 CB ALA A 39 7.799 -6.964 -7.949 1.00 0.00 C ATOM 0 H ALA A 39 9.027 -5.181 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 39 7.388 -5.118 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.290 -7.567 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.108 -6.737 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.651 -7.518 -8.342 1.00 0.00 H new ATOM 593 N PRO A 40 10.354 -6.246 -6.007 1.00 0.00 N ATOM 594 CA PRO A 40 11.138 -6.366 -4.786 1.00 0.00 C ATOM 595 C PRO A 40 11.077 -5.086 -3.948 1.00 0.00 C ATOM 596 O PRO A 40 10.870 -5.145 -2.739 1.00 0.00 O ATOM 597 CB PRO A 40 12.574 -6.670 -5.229 1.00 0.00 C ATOM 598 CG PRO A 40 12.381 -7.330 -6.590 1.00 0.00 C ATOM 599 CD PRO A 40 11.184 -6.567 -7.155 1.00 0.00 C ATOM 0 HA PRO A 40 10.744 -7.157 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.174 -5.763 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.081 -7.333 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.264 -7.227 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.177 -8.397 -6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.504 -5.663 -7.674 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.638 -7.173 -7.878 1.00 0.00 H new ATOM 607 N ILE A 41 11.217 -3.921 -4.592 1.00 0.00 N ATOM 608 CA ILE A 41 11.142 -2.638 -3.907 1.00 0.00 C ATOM 609 C ILE A 41 9.769 -2.529 -3.244 1.00 0.00 C ATOM 610 O ILE A 41 9.681 -2.255 -2.050 1.00 0.00 O ATOM 611 CB ILE A 41 11.422 -1.455 -4.859 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.753 -1.644 -5.616 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.457 -0.151 -4.050 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.038 -0.510 -6.606 1.00 0.00 C ATOM 0 H ILE A 41 11.384 -3.848 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 41 11.919 -2.587 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 41 10.623 -1.411 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.569 -1.706 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.729 -2.592 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.655 0.687 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.496 -0.003 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.245 -0.210 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.987 -0.696 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.238 -0.463 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.092 0.437 -6.069 1.00 0.00 H new ATOM 626 N LEU A 42 8.694 -2.766 -4.002 1.00 0.00 N ATOM 627 CA LEU A 42 7.341 -2.714 -3.458 1.00 0.00 C ATOM 628 C LEU A 42 7.195 -3.662 -2.260 1.00 0.00 C ATOM 629 O LEU A 42 6.610 -3.280 -1.250 1.00 0.00 O ATOM 630 CB LEU A 42 6.290 -3.015 -4.539 1.00 0.00 C ATOM 631 CG LEU A 42 6.293 -2.027 -5.717 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.219 -2.446 -6.725 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.024 -0.584 -5.274 1.00 0.00 C ATOM 0 H LEU A 42 8.739 -2.996 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 42 7.163 -1.698 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.459 -4.021 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.302 -3.011 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 42 7.286 -2.055 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.215 -1.749 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.434 -3.451 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.242 -2.436 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.037 0.072 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.048 -0.527 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.795 -0.270 -4.571 1.00 0.00 H new ATOM 645 N ASP A 43 7.734 -4.880 -2.354 1.00 0.00 N ATOM 646 CA ASP A 43 7.685 -5.864 -1.276 1.00 0.00 C ATOM 647 C ASP A 43 8.377 -5.305 -0.028 1.00 0.00 C ATOM 648 O ASP A 43 7.809 -5.288 1.063 1.00 0.00 O ATOM 649 CB ASP A 43 8.355 -7.179 -1.706 1.00 0.00 C ATOM 650 CG ASP A 43 7.761 -7.823 -2.958 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.573 -7.564 -3.245 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.509 -8.585 -3.610 1.00 0.00 O ATOM 0 H ASP A 43 8.220 -5.211 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 43 6.640 -6.072 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.414 -6.990 -1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.289 -7.890 -0.883 1.00 0.00 H new ATOM 657 N GLU A 44 9.617 -4.842 -0.199 1.00 0.00 N ATOM 658 CA GLU A 44 10.423 -4.270 0.870 1.00 0.00 C ATOM 659 C GLU A 44 9.670 -3.117 1.530 1.00 0.00 C ATOM 660 O GLU A 44 9.527 -3.081 2.748 1.00 0.00 O ATOM 661 CB GLU A 44 11.767 -3.807 0.296 1.00 0.00 C ATOM 662 CG GLU A 44 12.628 -5.003 -0.141 1.00 0.00 C ATOM 663 CD GLU A 44 13.670 -4.607 -1.185 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.175 -3.466 -1.090 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.948 -5.452 -2.065 1.00 0.00 O ATOM 0 H GLU A 44 10.093 -4.856 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 44 10.615 -5.022 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.594 -3.150 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.303 -3.224 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.130 -5.426 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.985 -5.783 -0.548 1.00 0.00 H new ATOM 672 N ILE A 45 9.164 -2.186 0.721 1.00 0.00 N ATOM 673 CA ILE A 45 8.381 -1.051 1.186 1.00 0.00 C ATOM 674 C ILE A 45 7.179 -1.547 1.990 1.00 0.00 C ATOM 675 O ILE A 45 6.950 -1.085 3.107 1.00 0.00 O ATOM 676 CB ILE A 45 7.954 -0.209 -0.027 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.147 0.536 -0.653 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.809 0.757 0.287 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.681 1.716 0.157 1.00 0.00 C ATOM 0 H ILE A 45 9.291 -2.203 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 45 8.977 -0.421 1.846 1.00 0.00 H new ATOM 0 HB ILE A 45 7.573 -0.918 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.959 -0.176 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.851 0.897 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.554 1.322 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.938 0.193 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.119 1.445 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.519 2.170 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.891 2.455 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.015 1.366 1.134 1.00 0.00 H new ATOM 691 N ALA A 46 6.414 -2.485 1.424 1.00 0.00 N ATOM 692 CA ALA A 46 5.245 -3.054 2.070 1.00 0.00 C ATOM 693 C ALA A 46 5.610 -3.575 3.460 1.00 0.00 C ATOM 694 O ALA A 46 4.882 -3.331 4.420 1.00 0.00 O ATOM 695 CB ALA A 46 4.631 -4.143 1.185 1.00 0.00 C ATOM 0 H ALA A 46 6.597 -2.869 0.497 1.00 0.00 H new ATOM 0 HA ALA A 46 4.490 -2.279 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.755 -4.563 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.336 -3.711 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.365 -4.931 1.016 1.00 0.00 H new ATOM 701 N ASP A 47 6.751 -4.262 3.580 1.00 0.00 N ATOM 702 CA ASP A 47 7.205 -4.737 4.878 1.00 0.00 C ATOM 703 C ASP A 47 7.577 -3.556 5.785 1.00 0.00 C ATOM 704 O ASP A 47 7.026 -3.408 6.872 1.00 0.00 O ATOM 705 CB ASP A 47 8.379 -5.706 4.710 1.00 0.00 C ATOM 706 CG ASP A 47 8.835 -6.226 6.067 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.053 -6.994 6.668 1.00 0.00 O ATOM 708 OD2 ASP A 47 9.946 -5.835 6.484 1.00 0.00 O ATOM 0 H ASP A 47 7.366 -4.496 2.801 1.00 0.00 H new ATOM 0 HA ASP A 47 6.390 -5.279 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.082 -6.540 4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.206 -5.202 4.210 1.00 0.00 H new ATOM 713 N GLU A 48 8.512 -2.713 5.343 1.00 0.00 N ATOM 714 CA GLU A 48 9.008 -1.558 6.080 1.00 0.00 C ATOM 715 C GLU A 48 7.888 -0.705 6.677 1.00 0.00 C ATOM 716 O GLU A 48 7.934 -0.347 7.851 1.00 0.00 O ATOM 717 CB GLU A 48 9.872 -0.704 5.146 1.00 0.00 C ATOM 718 CG GLU A 48 11.243 -1.329 4.866 1.00 0.00 C ATOM 719 CD GLU A 48 11.954 -0.618 3.716 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.880 0.632 3.676 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.559 -1.337 2.893 1.00 0.00 O ATOM 0 H GLU A 48 8.957 -2.822 4.432 1.00 0.00 H new ATOM 0 HA GLU A 48 9.597 -1.931 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.345 -0.559 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.011 0.282 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.859 -1.277 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.121 -2.385 4.623 1.00 0.00 H new ATOM 728 N TYR A 49 6.901 -0.354 5.855 1.00 0.00 N ATOM 729 CA TYR A 49 5.793 0.502 6.257 1.00 0.00 C ATOM 730 C TYR A 49 4.598 -0.304 6.788 1.00 0.00 C ATOM 731 O TYR A 49 3.510 0.260 6.918 1.00 0.00 O ATOM 732 CB TYR A 49 5.376 1.399 5.078 1.00 0.00 C ATOM 733 CG TYR A 49 6.354 2.489 4.666 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.559 2.154 4.024 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.996 3.845 4.796 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.432 3.161 3.592 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.837 4.855 4.293 1.00 0.00 C ATOM 738 CZ TYR A 49 8.075 4.512 3.722 1.00 0.00 C ATOM 739 OH TYR A 49 8.933 5.471 3.275 1.00 0.00 O ATOM 0 H TYR A 49 6.850 -0.660 4.883 1.00 0.00 H new ATOM 0 HA TYR A 49 6.134 1.129 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.195 0.761 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.427 1.872 5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.813 1.117 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.070 4.111 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.384 2.896 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.532 5.890 4.345 1.00 0.00 H new ATOM 0 HH TYR A 49 8.447 6.108 2.711 1.00 0.00 H new ATOM 749 N GLN A 50 4.753 -1.596 7.105 1.00 0.00 N ATOM 750 CA GLN A 50 3.643 -2.398 7.599 1.00 0.00 C ATOM 751 C GLN A 50 2.926 -1.697 8.756 1.00 0.00 C ATOM 752 O GLN A 50 3.570 -1.152 9.654 1.00 0.00 O ATOM 753 CB GLN A 50 4.121 -3.807 7.965 1.00 0.00 C ATOM 754 CG GLN A 50 5.133 -3.883 9.120 1.00 0.00 C ATOM 755 CD GLN A 50 4.494 -4.318 10.436 1.00 0.00 C ATOM 756 OE1 GLN A 50 4.466 -5.503 10.752 1.00 0.00 O ATOM 757 NE2 GLN A 50 3.969 -3.378 11.214 1.00 0.00 N ATOM 0 H GLN A 50 5.636 -2.100 7.026 1.00 0.00 H new ATOM 0 HA GLN A 50 2.906 -2.506 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.252 -4.410 8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.570 -4.261 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.926 -4.583 8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.600 -2.907 9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.006 -2.400 10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.529 -3.634 12.098 1.00 0.00 H new ATOM 766 N GLY A 51 1.591 -1.672 8.722 1.00 0.00 N ATOM 767 CA GLY A 51 0.790 -1.005 9.740 1.00 0.00 C ATOM 768 C GLY A 51 0.504 0.453 9.373 1.00 0.00 C ATOM 769 O GLY A 51 -0.538 0.978 9.752 1.00 0.00 O ATOM 0 H GLY A 51 1.040 -2.115 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.152 -1.539 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.312 -1.044 10.696 1.00 0.00 H new ATOM 773 N LYS A 52 1.400 1.101 8.621 1.00 0.00 N ATOM 774 CA LYS A 52 1.236 2.481 8.180 1.00 0.00 C ATOM 775 C LYS A 52 0.717 2.486 6.741 1.00 0.00 C ATOM 776 O LYS A 52 -0.131 3.301 6.383 1.00 0.00 O ATOM 777 CB LYS A 52 2.582 3.218 8.240 1.00 0.00 C ATOM 778 CG LYS A 52 3.186 3.237 9.651 1.00 0.00 C ATOM 779 CD LYS A 52 4.603 3.828 9.657 1.00 0.00 C ATOM 780 CE LYS A 52 4.641 5.286 9.178 1.00 0.00 C ATOM 781 NZ LYS A 52 5.987 5.865 9.330 1.00 0.00 N ATOM 0 H LYS A 52 2.268 0.672 8.300 1.00 0.00 H new ATOM 0 HA LYS A 52 0.526 2.987 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.283 2.741 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.446 4.243 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.546 3.821 10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.214 2.222 10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.011 3.771 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.247 3.223 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.338 5.335 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.923 5.877 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.980 6.851 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.265 5.839 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.667 5.315 8.768 1.00 0.00 H new ATOM 795 N LEU A 53 1.248 1.578 5.921 1.00 0.00 N ATOM 796 CA LEU A 53 0.935 1.427 4.516 1.00 0.00 C ATOM 797 C LEU A 53 0.690 -0.047 4.216 1.00 0.00 C ATOM 798 O LEU A 53 1.297 -0.923 4.831 1.00 0.00 O ATOM 799 CB LEU A 53 2.156 1.904 3.718 1.00 0.00 C ATOM 800 CG LEU A 53 1.963 2.014 2.201 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.113 3.235 1.844 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.341 2.143 1.548 1.00 0.00 C ATOM 0 H LEU A 53 1.939 0.900 6.242 1.00 0.00 H new ATOM 0 HA LEU A 53 0.048 2.002 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.456 2.881 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.982 1.220 3.911 1.00 0.00 H new ATOM 0 HG LEU A 53 1.447 1.125 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.991 3.290 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.134 3.147 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.607 4.139 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.225 2.223 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.841 3.035 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.940 1.264 1.785 1.00 0.00 H new ATOM 814 N THR A 54 -0.174 -0.306 3.241 1.00 0.00 N ATOM 815 CA THR A 54 -0.482 -1.609 2.684 1.00 0.00 C ATOM 816 C THR A 54 -0.210 -1.443 1.187 1.00 0.00 C ATOM 817 O THR A 54 -0.388 -0.341 0.666 1.00 0.00 O ATOM 818 CB THR A 54 -1.945 -1.921 3.013 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.073 -2.068 4.411 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.458 -3.197 2.342 1.00 0.00 C ATOM 0 H THR A 54 -0.709 0.438 2.794 1.00 0.00 H new ATOM 0 HA THR A 54 0.103 -2.441 3.077 1.00 0.00 H new ATOM 0 HB THR A 54 -2.542 -1.092 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.006 -2.266 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.500 -3.359 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.380 -3.096 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.860 -4.047 2.671 1.00 0.00 H new ATOM 828 N VAL A 55 0.246 -2.481 0.484 1.00 0.00 N ATOM 829 CA VAL A 55 0.546 -2.372 -0.939 1.00 0.00 C ATOM 830 C VAL A 55 -0.300 -3.392 -1.692 1.00 0.00 C ATOM 831 O VAL A 55 -0.685 -4.424 -1.143 1.00 0.00 O ATOM 832 CB VAL A 55 2.057 -2.539 -1.179 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.425 -2.321 -2.654 1.00 0.00 C ATOM 834 CG2 VAL A 55 2.855 -1.521 -0.349 1.00 0.00 C ATOM 0 H VAL A 55 0.415 -3.406 0.880 1.00 0.00 H new ATOM 0 HA VAL A 55 0.289 -1.382 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 55 2.306 -3.558 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.500 -2.447 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.897 -3.048 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.139 -1.313 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.921 -1.657 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.563 -0.510 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.648 -1.673 0.710 1.00 0.00 H new ATOM 844 N ALA A 56 -0.610 -3.100 -2.953 1.00 0.00 N ATOM 845 CA ALA A 56 -1.384 -3.975 -3.805 1.00 0.00 C ATOM 846 C ALA A 56 -0.785 -3.957 -5.202 1.00 0.00 C ATOM 847 O ALA A 56 -0.189 -2.957 -5.593 1.00 0.00 O ATOM 848 CB ALA A 56 -2.844 -3.526 -3.804 1.00 0.00 C ATOM 0 H ALA A 56 -0.323 -2.235 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.354 -5.000 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.428 -4.185 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.237 -3.568 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.911 -2.504 -4.177 1.00 0.00 H new ATOM 854 N LYS A 57 -0.927 -5.054 -5.944 1.00 0.00 N ATOM 855 CA LYS A 57 -0.427 -5.185 -7.305 1.00 0.00 C ATOM 856 C LYS A 57 -1.584 -5.680 -8.177 1.00 0.00 C ATOM 857 O LYS A 57 -1.861 -6.876 -8.209 1.00 0.00 O ATOM 858 CB LYS A 57 0.779 -6.136 -7.325 1.00 0.00 C ATOM 859 CG LYS A 57 2.048 -5.508 -6.735 1.00 0.00 C ATOM 860 CD LYS A 57 3.217 -6.510 -6.769 1.00 0.00 C ATOM 861 CE LYS A 57 3.829 -6.713 -8.160 1.00 0.00 C ATOM 862 NZ LYS A 57 4.357 -5.470 -8.752 1.00 0.00 N ATOM 0 H LYS A 57 -1.402 -5.891 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.076 -4.231 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.533 -7.038 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.976 -6.443 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.313 -4.613 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.861 -5.194 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.996 -6.166 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.868 -7.472 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.634 -7.445 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.073 -7.131 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.648 -5.649 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.619 -4.738 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.178 -5.145 -8.202 1.00 0.00 H new ATOM 876 N LEU A 58 -2.243 -4.793 -8.928 1.00 0.00 N ATOM 877 CA LEU A 58 -3.397 -5.158 -9.747 1.00 0.00 C ATOM 878 C LEU A 58 -2.978 -5.387 -11.198 1.00 0.00 C ATOM 879 O LEU A 58 -2.418 -4.498 -11.840 1.00 0.00 O ATOM 880 CB LEU A 58 -4.462 -4.060 -9.631 1.00 0.00 C ATOM 881 CG LEU A 58 -5.760 -4.408 -10.387 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.956 -3.824 -9.634 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.769 -3.811 -11.800 1.00 0.00 C ATOM 0 H LEU A 58 -1.991 -3.806 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.822 -6.095 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.693 -3.893 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.059 -3.126 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.819 -5.494 -10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.875 -4.068 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.995 -4.246 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.851 -2.741 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.699 -4.078 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.689 -2.726 -11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.925 -4.205 -12.367 1.00 0.00 H new ATOM 895 N ASN A 59 -3.248 -6.596 -11.705 1.00 0.00 N ATOM 896 CA ASN A 59 -2.922 -6.986 -13.069 1.00 0.00 C ATOM 897 C ASN A 59 -4.009 -6.490 -14.022 1.00 0.00 C ATOM 898 O ASN A 59 -5.117 -7.038 -14.031 1.00 0.00 O ATOM 899 CB ASN A 59 -2.768 -8.508 -13.178 1.00 0.00 C ATOM 900 CG ASN A 59 -2.335 -8.934 -14.582 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.242 -8.124 -15.500 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.102 -10.223 -14.784 1.00 0.00 N ATOM 0 H ASN A 59 -3.704 -7.334 -11.168 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.971 -6.530 -13.345 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.033 -8.852 -12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.714 -8.988 -12.927 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.841 -10.555 -15.713 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.183 -10.883 -14.011 1.00 0.00 H new ATOM 909 N ILE A 60 -3.697 -5.479 -14.834 1.00 0.00 N ATOM 910 CA ILE A 60 -4.630 -4.923 -15.802 1.00 0.00 C ATOM 911 C ILE A 60 -5.001 -5.929 -16.895 1.00 0.00 C ATOM 912 O ILE A 60 -6.079 -5.819 -17.468 1.00 0.00 O ATOM 913 CB ILE A 60 -4.109 -3.609 -16.408 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.762 -3.763 -17.138 1.00 0.00 C ATOM 915 CG2 ILE A 60 -4.012 -2.524 -15.327 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.739 -2.978 -18.449 1.00 0.00 C ATOM 0 H ILE A 60 -2.784 -5.024 -14.835 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.544 -4.694 -15.254 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.835 -3.309 -17.164 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.956 -3.416 -16.492 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.576 -4.818 -17.342 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.642 -1.600 -15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.998 -2.350 -14.897 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.327 -2.850 -14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.773 -3.111 -18.936 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.529 -3.343 -19.105 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.899 -1.920 -18.242 1.00 0.00 H new ATOM 928 N ASP A 61 -4.151 -6.922 -17.187 1.00 0.00 N ATOM 929 CA ASP A 61 -4.484 -7.917 -18.205 1.00 0.00 C ATOM 930 C ASP A 61 -5.699 -8.713 -17.739 1.00 0.00 C ATOM 931 O ASP A 61 -6.626 -8.962 -18.504 1.00 0.00 O ATOM 932 CB ASP A 61 -3.317 -8.873 -18.475 1.00 0.00 C ATOM 933 CG ASP A 61 -2.057 -8.188 -18.993 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.183 -7.269 -19.832 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.971 -8.613 -18.543 1.00 0.00 O ATOM 0 H ASP A 61 -3.244 -7.054 -16.740 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.701 -7.393 -19.136 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.076 -9.404 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.635 -9.621 -19.201 1.00 0.00 H new ATOM 940 N GLN A 62 -5.687 -9.103 -16.462 1.00 0.00 N ATOM 941 CA GLN A 62 -6.784 -9.830 -15.846 1.00 0.00 C ATOM 942 C GLN A 62 -7.952 -8.882 -15.577 1.00 0.00 C ATOM 943 O GLN A 62 -9.108 -9.287 -15.653 1.00 0.00 O ATOM 944 CB GLN A 62 -6.310 -10.471 -14.534 1.00 0.00 C ATOM 945 CG GLN A 62 -5.299 -11.598 -14.770 1.00 0.00 C ATOM 946 CD GLN A 62 -4.720 -12.102 -13.450 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.549 -11.882 -13.151 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.537 -12.766 -12.639 1.00 0.00 N ATOM 0 H GLN A 62 -4.909 -8.919 -15.829 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.118 -10.615 -16.524 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.858 -9.707 -13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.170 -10.865 -13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.783 -12.421 -15.296 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.493 -11.240 -15.411 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.505 -12.933 -12.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.196 -13.108 -11.741 1.00 0.00 H new ATOM 957 N ASN A 63 -7.644 -7.632 -15.217 1.00 0.00 N ATOM 958 CA ASN A 63 -8.628 -6.627 -14.827 1.00 0.00 C ATOM 959 C ASN A 63 -8.573 -5.395 -15.734 1.00 0.00 C ATOM 960 O ASN A 63 -8.203 -4.315 -15.270 1.00 0.00 O ATOM 961 CB ASN A 63 -8.363 -6.224 -13.374 1.00 0.00 C ATOM 962 CG ASN A 63 -8.347 -7.415 -12.434 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.389 -7.814 -11.916 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.167 -7.988 -12.212 1.00 0.00 N ATOM 0 H ASN A 63 -6.684 -7.288 -15.189 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.625 -7.055 -14.928 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.407 -5.704 -13.313 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.129 -5.520 -13.050 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.100 -8.793 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.329 -7.622 -12.664 1.00 0.00 H new ATOM 971 N PRO A 64 -8.956 -5.509 -17.014 1.00 0.00 N ATOM 972 CA PRO A 64 -8.934 -4.378 -17.925 1.00 0.00 C ATOM 973 C PRO A 64 -9.868 -3.277 -17.423 1.00 0.00 C ATOM 974 O PRO A 64 -9.511 -2.104 -17.449 1.00 0.00 O ATOM 975 CB PRO A 64 -9.341 -4.936 -19.292 1.00 0.00 C ATOM 976 CG PRO A 64 -10.119 -6.210 -18.959 1.00 0.00 C ATOM 977 CD PRO A 64 -9.439 -6.706 -17.682 1.00 0.00 C ATOM 0 HA PRO A 64 -7.951 -3.912 -17.995 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.956 -4.226 -19.845 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.469 -5.151 -19.910 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.178 -6.006 -18.799 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.054 -6.944 -19.762 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.139 -7.253 -17.051 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.619 -7.386 -17.912 1.00 0.00 H new ATOM 985 N GLY A 65 -11.055 -3.662 -16.943 1.00 0.00 N ATOM 986 CA GLY A 65 -12.069 -2.758 -16.424 1.00 0.00 C ATOM 987 C GLY A 65 -11.526 -1.682 -15.480 1.00 0.00 C ATOM 988 O GLY A 65 -12.009 -0.553 -15.500 1.00 0.00 O ATOM 0 H GLY A 65 -11.338 -4.641 -16.907 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.569 -2.272 -17.261 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.824 -3.341 -15.896 1.00 0.00 H new ATOM 992 N THR A 66 -10.544 -2.014 -14.636 1.00 0.00 N ATOM 993 CA THR A 66 -9.992 -1.072 -13.675 1.00 0.00 C ATOM 994 C THR A 66 -9.056 -0.038 -14.319 1.00 0.00 C ATOM 995 O THR A 66 -8.846 1.030 -13.746 1.00 0.00 O ATOM 996 CB THR A 66 -9.288 -1.855 -12.557 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.897 -3.122 -12.405 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.387 -1.121 -11.217 1.00 0.00 C ATOM 0 H THR A 66 -10.116 -2.939 -14.605 1.00 0.00 H new ATOM 0 HA THR A 66 -10.814 -0.493 -13.254 1.00 0.00 H new ATOM 0 HB THR A 66 -8.240 -1.957 -12.837 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.868 -3.012 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.879 -1.701 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.917 -0.141 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.436 -0.998 -10.946 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.483 -0.332 -15.491 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.554 0.587 -16.142 1.00 0.00 C ATOM 1008 C ALA A 67 -8.206 1.936 -16.499 1.00 0.00 C ATOM 1009 O ALA A 67 -7.730 2.961 -16.008 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.794 -0.095 -17.290 1.00 0.00 C ATOM 0 H ALA A 67 -8.648 -1.198 -16.004 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.786 0.856 -15.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.112 0.620 -17.750 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.225 -0.939 -16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.505 -0.451 -18.036 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.274 1.992 -17.317 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.947 3.243 -17.645 1.00 0.00 C ATOM 1018 C PRO A 68 -10.316 4.063 -16.406 1.00 0.00 C ATOM 1019 O PRO A 68 -10.069 5.266 -16.377 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.200 2.856 -18.436 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.808 1.529 -19.073 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.929 0.889 -18.001 1.00 0.00 C ATOM 0 HA PRO A 68 -9.281 3.884 -18.222 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.070 2.751 -17.788 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.451 3.605 -19.187 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.680 0.916 -19.301 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.266 1.673 -20.008 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.526 0.298 -17.307 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.197 0.215 -18.446 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.903 3.413 -15.391 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.347 4.057 -14.156 1.00 0.00 C ATOM 1032 C LYS A 69 -10.305 5.024 -13.593 1.00 0.00 C ATOM 1033 O LYS A 69 -10.646 6.140 -13.210 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.702 3.012 -13.089 1.00 0.00 C ATOM 1035 CG LYS A 69 -12.913 2.156 -13.471 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.335 1.291 -12.273 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.497 0.356 -12.629 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.067 -0.751 -13.500 1.00 0.00 N ATOM 0 H LYS A 69 -11.083 2.409 -15.410 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.236 4.633 -14.414 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.842 2.363 -12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.905 3.518 -12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.740 2.796 -13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.667 1.521 -14.322 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.484 0.701 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.628 1.935 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.930 -0.049 -11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.281 0.926 -13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.894 -1.152 -13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.390 -0.395 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.613 -1.489 -12.925 1.00 0.00 H new ATOM 1130 N ILE A 75 1.987 1.930 -17.331 1.00 0.00 N ATOM 1131 CA ILE A 75 2.326 1.131 -16.156 1.00 0.00 C ATOM 1132 C ILE A 75 3.856 1.009 -16.079 1.00 0.00 C ATOM 1133 O ILE A 75 4.501 1.115 -17.123 1.00 0.00 O ATOM 1134 CB ILE A 75 1.642 -0.248 -16.249 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.984 -0.974 -17.562 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.121 -0.112 -16.082 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.360 -2.368 -17.615 1.00 0.00 C ATOM 0 HA ILE A 75 1.968 1.609 -15.244 1.00 0.00 H new ATOM 0 HB ILE A 75 2.029 -0.858 -15.433 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.630 -0.384 -18.407 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.066 -1.056 -17.662 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.342 -1.096 -16.151 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.100 0.326 -15.109 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.275 0.531 -16.868 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.624 -2.849 -18.557 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.735 -2.966 -16.784 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.276 -2.284 -17.542 1.00 0.00 H new ATOM 1149 N PRO A 76 4.469 0.790 -14.900 1.00 0.00 N ATOM 1150 CA PRO A 76 3.848 0.649 -13.590 1.00 0.00 C ATOM 1151 C PRO A 76 3.224 1.963 -13.137 1.00 0.00 C ATOM 1152 O PRO A 76 3.875 3.004 -13.200 1.00 0.00 O ATOM 1153 CB PRO A 76 4.978 0.272 -12.621 1.00 0.00 C ATOM 1154 CG PRO A 76 6.238 0.803 -13.302 1.00 0.00 C ATOM 1155 CD PRO A 76 5.911 0.664 -14.789 1.00 0.00 C ATOM 0 HA PRO A 76 3.057 -0.101 -13.620 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.832 0.726 -11.641 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.030 -0.806 -12.468 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.439 1.839 -13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.120 0.224 -13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.415 1.435 -15.372 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.248 -0.299 -15.173 1.00 0.00 H new ATOM 1163 N THR A 77 1.980 1.912 -12.665 1.00 0.00 N ATOM 1164 CA THR A 77 1.321 3.086 -12.113 1.00 0.00 C ATOM 1165 C THR A 77 1.309 2.826 -10.608 1.00 0.00 C ATOM 1166 O THR A 77 1.192 1.664 -10.216 1.00 0.00 O ATOM 1167 CB THR A 77 -0.122 3.214 -12.624 1.00 0.00 C ATOM 1168 OG1 THR A 77 -0.271 2.616 -13.891 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.473 4.693 -12.783 1.00 0.00 C ATOM 0 H THR A 77 1.410 1.066 -12.655 1.00 0.00 H new ATOM 0 HA THR A 77 1.831 4.007 -12.395 1.00 0.00 H new ATOM 0 HB THR A 77 -0.772 2.719 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.199 2.711 -14.190 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.497 4.787 -13.146 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.382 5.194 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.209 5.154 -13.498 1.00 0.00 H new ATOM 1177 N LEU A 78 1.435 3.863 -9.780 1.00 0.00 N ATOM 1178 CA LEU A 78 1.447 3.760 -8.328 1.00 0.00 C ATOM 1179 C LEU A 78 0.436 4.775 -7.801 1.00 0.00 C ATOM 1180 O LEU A 78 0.742 5.966 -7.739 1.00 0.00 O ATOM 1181 CB LEU A 78 2.860 4.058 -7.797 1.00 0.00 C ATOM 1182 CG LEU A 78 3.954 3.105 -8.311 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.328 3.624 -7.881 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.773 1.686 -7.765 1.00 0.00 C ATOM 0 H LEU A 78 1.534 4.822 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 78 1.179 2.757 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.128 5.079 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.841 4.014 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 78 3.877 3.070 -9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.102 2.949 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.488 4.618 -8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.374 3.675 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.565 1.044 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.821 1.706 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.805 1.296 -8.079 1.00 0.00 H new ATOM 1196 N LEU A 79 -0.764 4.315 -7.439 1.00 0.00 N ATOM 1197 CA LEU A 79 -1.825 5.167 -6.916 1.00 0.00 C ATOM 1198 C LEU A 79 -1.958 4.906 -5.421 1.00 0.00 C ATOM 1199 O LEU A 79 -2.233 3.777 -5.015 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.150 4.899 -7.637 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.227 5.548 -9.029 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.652 4.659 -10.129 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -4.688 5.870 -9.363 1.00 0.00 C ATOM 0 H LEU A 79 -1.025 3.331 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.573 6.214 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.290 3.823 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.971 5.271 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.625 6.456 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.734 5.169 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.603 4.450 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.208 3.722 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.743 6.330 -10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.273 4.951 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.088 6.559 -8.619 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.759 5.939 -4.601 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.833 5.835 -3.154 1.00 0.00 C ATOM 1217 C LEU A 80 -3.225 6.236 -2.674 1.00 0.00 C ATOM 1218 O LEU A 80 -3.567 7.415 -2.689 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.719 6.682 -2.540 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.757 6.729 -1.006 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.718 5.335 -0.376 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.445 7.538 -0.524 1.00 0.00 C ATOM 0 H LEU A 80 -1.540 6.879 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.680 4.806 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.245 6.286 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.791 7.698 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.696 7.191 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.747 5.426 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.578 4.758 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.199 4.827 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.439 7.585 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.364 7.060 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.391 8.548 -0.931 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.012 5.250 -2.243 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.366 5.426 -1.745 1.00 0.00 C ATOM 1236 C PHE A 81 -5.343 5.472 -0.218 1.00 0.00 C ATOM 1237 O PHE A 81 -5.244 4.425 0.425 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.239 4.253 -2.213 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.555 4.243 -3.696 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.605 3.754 -4.610 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -7.841 4.590 -4.152 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -5.938 3.621 -5.968 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.178 4.442 -5.508 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.208 4.003 -6.424 1.00 0.00 C ATOM 0 H PHE A 81 -3.709 4.276 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.779 6.359 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.736 3.320 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.176 4.272 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.618 3.480 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.573 4.972 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.214 3.223 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.180 4.665 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.440 3.960 -7.478 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.281 7.554 -0.587 1.00 0.00 N ATOM 1298 CA GLU A 85 -8.975 8.849 -1.171 1.00 0.00 C ATOM 1299 C GLU A 85 -7.638 8.776 -1.911 1.00 0.00 C ATOM 1300 O GLU A 85 -6.596 8.625 -1.274 1.00 0.00 O ATOM 1301 CB GLU A 85 -8.932 9.928 -0.079 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.220 9.964 0.755 1.00 0.00 C ATOM 1303 CD GLU A 85 -10.192 11.114 1.755 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -9.430 10.997 2.739 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -10.924 12.099 1.511 1.00 0.00 O ATOM 0 HA GLU A 85 -9.757 9.116 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.082 9.744 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.773 10.903 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.081 10.072 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.341 9.019 1.285 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.654 8.890 -3.243 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.434 8.914 -4.039 1.00 0.00 C ATOM 1314 C VAL A 86 -5.635 10.156 -3.630 1.00 0.00 C ATOM 1315 O VAL A 86 -5.974 11.270 -4.024 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.769 8.913 -5.543 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.489 8.961 -6.389 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.530 7.642 -5.932 1.00 0.00 C ATOM 0 H VAL A 86 -8.510 8.967 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.834 8.022 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.382 9.795 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.752 8.959 -7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.932 9.868 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.873 8.090 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.755 7.665 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.917 6.768 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.460 7.587 -5.366 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.592 9.968 -2.824 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.763 11.050 -2.312 1.00 0.00 C ATOM 1330 C ALA A 87 -2.772 11.509 -3.376 1.00 0.00 C ATOM 1331 O ALA A 87 -2.569 12.707 -3.554 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.034 10.578 -1.054 1.00 0.00 C ATOM 0 H ALA A 87 -4.297 9.045 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.395 11.901 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.413 11.386 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.764 10.289 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.405 9.722 -1.298 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.162 10.561 -4.092 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.209 10.866 -5.147 1.00 0.00 C ATOM 1340 C ALA A 88 -1.123 9.696 -6.120 1.00 0.00 C ATOM 1341 O ALA A 88 -1.407 8.553 -5.749 1.00 0.00 O ATOM 1342 CB ALA A 88 0.161 11.192 -4.549 1.00 0.00 C ATOM 0 H ALA A 88 -2.319 9.563 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.550 11.744 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.864 11.418 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.074 12.055 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.523 10.335 -3.980 1.00 0.00 H new ATOM 1348 N THR A 89 -0.753 10.004 -7.365 1.00 0.00 N ATOM 1349 CA THR A 89 -0.655 9.062 -8.465 1.00 0.00 C ATOM 1350 C THR A 89 0.679 9.269 -9.187 1.00 0.00 C ATOM 1351 O THR A 89 0.867 10.325 -9.789 1.00 0.00 O ATOM 1352 CB THR A 89 -1.837 9.309 -9.418 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.791 10.619 -9.955 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.181 9.194 -8.695 1.00 0.00 C ATOM 0 H THR A 89 -0.505 10.955 -7.638 1.00 0.00 H new ATOM 0 HA THR A 89 -0.694 8.035 -8.103 1.00 0.00 H new ATOM 0 HB THR A 89 -1.752 8.554 -10.199 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.858 10.906 -10.038 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.991 9.375 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.283 8.194 -8.274 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.227 9.931 -7.894 1.00 0.00 H new ATOM 1362 N LYS A 90 1.584 8.287 -9.158 1.00 0.00 N ATOM 1363 CA LYS A 90 2.862 8.357 -9.860 1.00 0.00 C ATOM 1364 C LYS A 90 2.805 7.360 -11.019 1.00 0.00 C ATOM 1365 O LYS A 90 2.192 6.303 -10.886 1.00 0.00 O ATOM 1366 CB LYS A 90 4.010 8.101 -8.869 1.00 0.00 C ATOM 1367 CG LYS A 90 5.387 8.550 -9.385 1.00 0.00 C ATOM 1368 CD LYS A 90 6.145 7.437 -10.122 1.00 0.00 C ATOM 1369 CE LYS A 90 7.462 7.951 -10.717 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.244 8.897 -11.825 1.00 0.00 N ATOM 0 H LYS A 90 1.447 7.417 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 90 3.052 9.345 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.795 8.621 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.048 7.036 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.258 9.399 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.988 8.896 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.351 6.618 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.518 7.034 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.045 8.438 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.051 7.106 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.157 9.138 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.625 8.460 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.796 9.762 -11.460 1.00 0.00 H new ATOM 1384 N VAL A 91 3.418 7.701 -12.156 1.00 0.00 N ATOM 1385 CA VAL A 91 3.449 6.869 -13.351 1.00 0.00 C ATOM 1386 C VAL A 91 4.912 6.589 -13.692 1.00 0.00 C ATOM 1387 O VAL A 91 5.702 7.528 -13.779 1.00 0.00 O ATOM 1388 CB VAL A 91 2.733 7.583 -14.514 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.541 6.618 -15.693 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.365 8.139 -14.090 1.00 0.00 C ATOM 0 H VAL A 91 3.916 8.584 -12.269 1.00 0.00 H new ATOM 0 HA VAL A 91 2.928 5.928 -13.177 1.00 0.00 H new ATOM 0 HB VAL A 91 3.364 8.419 -14.815 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.034 7.135 -16.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.513 6.265 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.939 5.768 -15.373 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.894 8.634 -14.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.730 7.321 -13.749 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.499 8.856 -13.280 1.00 0.00 H new ATOM 1400 N GLY A 92 5.275 5.318 -13.866 1.00 0.00 N ATOM 1401 CA GLY A 92 6.630 4.896 -14.180 1.00 0.00 C ATOM 1402 C GLY A 92 7.399 4.502 -12.920 1.00 0.00 C ATOM 1403 O GLY A 92 6.964 4.760 -11.798 1.00 0.00 O ATOM 0 H GLY A 92 4.618 4.541 -13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.599 4.051 -14.868 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.155 5.704 -14.690 1.00 0.00 H new ATOM 1407 N ALA A 93 8.553 3.856 -13.115 1.00 0.00 N ATOM 1408 CA ALA A 93 9.418 3.427 -12.026 1.00 0.00 C ATOM 1409 C ALA A 93 10.101 4.633 -11.372 1.00 0.00 C ATOM 1410 O ALA A 93 10.107 5.732 -11.925 1.00 0.00 O ATOM 1411 CB ALA A 93 10.449 2.429 -12.560 1.00 0.00 C ATOM 0 H ALA A 93 8.910 3.618 -14.040 1.00 0.00 H new ATOM 0 HA ALA A 93 8.818 2.936 -11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.098 2.106 -11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.935 1.564 -12.979 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.049 2.905 -13.335 1.00 0.00 H new ATOM 1417 N LEU A 94 10.695 4.417 -10.197 1.00 0.00 N ATOM 1418 CA LEU A 94 11.400 5.420 -9.415 1.00 0.00 C ATOM 1419 C LEU A 94 12.317 4.690 -8.439 1.00 0.00 C ATOM 1420 O LEU A 94 12.156 3.486 -8.240 1.00 0.00 O ATOM 1421 CB LEU A 94 10.412 6.356 -8.698 1.00 0.00 C ATOM 1422 CG LEU A 94 9.614 5.742 -7.532 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.702 6.824 -6.943 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.749 4.539 -7.932 1.00 0.00 C ATOM 0 H LEU A 94 10.695 3.500 -9.751 1.00 0.00 H new ATOM 0 HA LEU A 94 12.000 6.059 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.967 7.214 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.704 6.735 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 94 10.344 5.376 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.129 6.406 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.309 7.654 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.019 7.182 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.219 4.164 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.027 4.846 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.385 3.751 -8.335 1.00 0.00 H new ATOM 1436 N SER A 95 13.277 5.395 -7.836 1.00 0.00 N ATOM 1437 CA SER A 95 14.189 4.772 -6.891 1.00 0.00 C ATOM 1438 C SER A 95 13.468 4.456 -5.580 1.00 0.00 C ATOM 1439 O SER A 95 12.457 5.078 -5.245 1.00 0.00 O ATOM 1440 CB SER A 95 15.389 5.687 -6.619 1.00 0.00 C ATOM 1441 OG SER A 95 14.958 6.874 -5.984 1.00 0.00 O ATOM 0 H SER A 95 13.438 6.391 -7.988 1.00 0.00 H new ATOM 0 HA SER A 95 14.549 3.841 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.115 5.171 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.893 5.928 -7.555 1.00 0.00 H new ATOM 0 HG SER A 95 14.574 7.481 -6.651 1.00 0.00 H new ATOM 1447 N LYS A 96 14.032 3.525 -4.806 1.00 0.00 N ATOM 1448 CA LYS A 96 13.507 3.202 -3.491 1.00 0.00 C ATOM 1449 C LYS A 96 13.477 4.479 -2.646 1.00 0.00 C ATOM 1450 O LYS A 96 12.491 4.737 -1.969 1.00 0.00 O ATOM 1451 CB LYS A 96 14.349 2.087 -2.854 1.00 0.00 C ATOM 1452 CG LYS A 96 13.753 1.629 -1.517 1.00 0.00 C ATOM 1453 CD LYS A 96 14.478 0.376 -1.012 1.00 0.00 C ATOM 1454 CE LYS A 96 13.846 -0.108 0.297 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.518 -1.316 0.804 1.00 0.00 N ATOM 0 H LYS A 96 14.854 2.984 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 96 12.487 2.824 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.409 1.239 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.367 2.443 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.838 2.428 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.690 1.419 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.425 -0.412 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.534 0.596 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.903 0.683 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.789 -0.318 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.067 -1.618 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.441 -2.077 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.521 -1.107 0.980 1.00 0.00 H new ATOM 1469 N GLY A 97 14.534 5.296 -2.716 1.00 0.00 N ATOM 1470 CA GLY A 97 14.608 6.562 -2.001 1.00 0.00 C ATOM 1471 C GLY A 97 13.425 7.465 -2.357 1.00 0.00 C ATOM 1472 O GLY A 97 12.690 7.910 -1.472 1.00 0.00 O ATOM 0 H GLY A 97 15.363 5.091 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.618 6.377 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.542 7.068 -2.246 1.00 0.00 H new ATOM 1476 N GLN A 98 13.224 7.724 -3.656 1.00 0.00 N ATOM 1477 CA GLN A 98 12.109 8.544 -4.114 1.00 0.00 C ATOM 1478 C GLN A 98 10.785 7.978 -3.598 1.00 0.00 C ATOM 1479 O GLN A 98 9.951 8.722 -3.085 1.00 0.00 O ATOM 1480 CB GLN A 98 12.082 8.610 -5.642 1.00 0.00 C ATOM 1481 CG GLN A 98 13.170 9.526 -6.211 1.00 0.00 C ATOM 1482 CD GLN A 98 13.316 9.286 -7.711 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.738 8.204 -8.113 1.00 0.00 O ATOM 1484 NE2 GLN A 98 12.961 10.258 -8.542 1.00 0.00 N ATOM 0 H GLN A 98 13.823 7.374 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 98 12.243 9.552 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.208 7.606 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.105 8.965 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.915 10.569 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.118 9.335 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.615 11.144 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.034 10.119 -9.550 1.00 0.00 H new ATOM 1493 N LEU A 99 10.590 6.665 -3.735 1.00 0.00 N ATOM 1494 CA LEU A 99 9.370 6.016 -3.282 1.00 0.00 C ATOM 1495 C LEU A 99 9.171 6.231 -1.778 1.00 0.00 C ATOM 1496 O LEU A 99 8.104 6.670 -1.357 1.00 0.00 O ATOM 1497 CB LEU A 99 9.390 4.538 -3.691 1.00 0.00 C ATOM 1498 CG LEU A 99 8.118 3.762 -3.320 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.829 4.425 -3.824 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.208 2.362 -3.932 1.00 0.00 C ATOM 0 H LEU A 99 11.268 6.032 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 99 8.504 6.468 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.539 4.473 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.246 4.055 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 99 8.065 3.737 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.970 3.823 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.740 5.422 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.860 4.501 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.312 1.796 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.291 2.443 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.085 1.848 -3.538 1.00 0.00 H new ATOM 1512 N LYS A 100 10.193 5.954 -0.963 1.00 0.00 N ATOM 1513 CA LYS A 100 10.122 6.144 0.480 1.00 0.00 C ATOM 1514 C LYS A 100 9.726 7.582 0.818 1.00 0.00 C ATOM 1515 O LYS A 100 8.831 7.800 1.639 1.00 0.00 O ATOM 1516 CB LYS A 100 11.453 5.797 1.161 1.00 0.00 C ATOM 1517 CG LYS A 100 11.700 4.286 1.191 1.00 0.00 C ATOM 1518 CD LYS A 100 13.009 3.901 1.895 1.00 0.00 C ATOM 1519 CE LYS A 100 13.043 4.239 3.392 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.925 3.618 4.125 1.00 0.00 N ATOM 0 H LYS A 100 11.089 5.593 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 100 9.358 5.465 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.270 6.288 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.452 6.185 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.866 3.798 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.720 3.907 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.173 2.830 1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.837 4.409 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.988 3.901 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.004 5.321 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.060 3.758 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.030 4.058 3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.896 2.600 3.916 1.00 0.00 H new ATOM 1534 N GLU A 101 10.396 8.550 0.183 1.00 0.00 N ATOM 1535 CA GLU A 101 10.135 9.962 0.387 1.00 0.00 C ATOM 1536 C GLU A 101 8.677 10.276 0.042 1.00 0.00 C ATOM 1537 O GLU A 101 7.955 10.840 0.857 1.00 0.00 O ATOM 1538 CB GLU A 101 11.134 10.769 -0.456 1.00 0.00 C ATOM 1539 CG GLU A 101 10.941 12.284 -0.326 1.00 0.00 C ATOM 1540 CD GLU A 101 11.075 12.773 1.113 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.180 12.590 1.670 1.00 0.00 O ATOM 1542 OE2 GLU A 101 10.072 13.309 1.630 1.00 0.00 O ATOM 0 H GLU A 101 11.139 8.364 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 101 10.275 10.240 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.149 10.510 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.031 10.484 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.676 12.795 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.956 12.555 -0.707 1.00 0.00 H new ATOM 1549 N PHE A 102 8.245 9.892 -1.162 1.00 0.00 N ATOM 1550 CA PHE A 102 6.883 10.087 -1.643 1.00 0.00 C ATOM 1551 C PHE A 102 5.880 9.547 -0.619 1.00 0.00 C ATOM 1552 O PHE A 102 4.966 10.256 -0.192 1.00 0.00 O ATOM 1553 CB PHE A 102 6.739 9.390 -3.005 1.00 0.00 C ATOM 1554 CG PHE A 102 5.334 9.341 -3.579 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.887 10.358 -4.442 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.525 8.208 -3.361 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.668 10.215 -5.129 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.299 8.073 -4.034 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.885 9.062 -4.941 1.00 0.00 C ATOM 0 H PHE A 102 8.848 9.427 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 102 6.673 11.149 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.386 9.897 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.108 8.369 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.481 11.250 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.849 7.440 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.333 10.991 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.676 7.210 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.966 8.937 -5.494 1.00 0.00 H new ATOM 1569 N LEU A 103 6.054 8.288 -0.217 1.00 0.00 N ATOM 1570 CA LEU A 103 5.175 7.647 0.746 1.00 0.00 C ATOM 1571 C LEU A 103 5.156 8.420 2.057 1.00 0.00 C ATOM 1572 O LEU A 103 4.084 8.767 2.540 1.00 0.00 O ATOM 1573 CB LEU A 103 5.606 6.195 0.968 1.00 0.00 C ATOM 1574 CG LEU A 103 5.377 5.339 -0.283 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.106 4.008 -0.115 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.889 5.101 -0.552 1.00 0.00 C ATOM 0 H LEU A 103 6.809 7.689 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 103 4.161 7.646 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.661 6.166 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.049 5.774 1.805 1.00 0.00 H new ATOM 0 HG LEU A 103 5.773 5.877 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.948 3.393 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.173 4.191 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.718 3.489 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.774 4.490 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.443 4.585 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.388 6.058 -0.699 1.00 0.00 H new ATOM 1588 N ASP A 104 6.329 8.711 2.625 1.00 0.00 N ATOM 1589 CA ASP A 104 6.426 9.456 3.873 1.00 0.00 C ATOM 1590 C ASP A 104 5.673 10.785 3.766 1.00 0.00 C ATOM 1591 O ASP A 104 4.826 11.093 4.602 1.00 0.00 O ATOM 1592 CB ASP A 104 7.896 9.679 4.237 1.00 0.00 C ATOM 1593 CG ASP A 104 8.016 10.431 5.557 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.910 9.753 6.602 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.201 11.665 5.496 1.00 0.00 O ATOM 0 H ASP A 104 7.230 8.437 2.233 1.00 0.00 H new ATOM 0 HA ASP A 104 5.961 8.875 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.407 8.719 4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.390 10.242 3.446 1.00 0.00 H new ATOM 1600 N ALA A 105 5.976 11.556 2.719 1.00 0.00 N ATOM 1601 CA ALA A 105 5.368 12.849 2.448 1.00 0.00 C ATOM 1602 C ALA A 105 3.845 12.753 2.339 1.00 0.00 C ATOM 1603 O ALA A 105 3.141 13.647 2.803 1.00 0.00 O ATOM 1604 CB ALA A 105 5.972 13.440 1.171 1.00 0.00 C ATOM 0 H ALA A 105 6.670 11.286 2.022 1.00 0.00 H new ATOM 0 HA ALA A 105 5.582 13.510 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.516 14.409 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.047 13.565 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.783 12.768 0.334 1.00 0.00 H new ATOM 1610 N ASN A 106 3.326 11.681 1.733 1.00 0.00 N ATOM 1611 CA ASN A 106 1.883 11.528 1.562 1.00 0.00 C ATOM 1612 C ASN A 106 1.233 11.065 2.864 1.00 0.00 C ATOM 1613 O ASN A 106 0.178 11.570 3.236 1.00 0.00 O ATOM 1614 CB ASN A 106 1.569 10.503 0.469 1.00 0.00 C ATOM 1615 CG ASN A 106 1.558 11.106 -0.930 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.503 11.472 -1.434 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.715 11.199 -1.577 1.00 0.00 N ATOM 0 H ASN A 106 3.881 10.913 1.356 1.00 0.00 H new ATOM 0 HA ASN A 106 1.483 12.501 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.307 9.702 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.598 10.051 0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.742 11.584 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.576 10.885 -1.129 1.00 0.00 H new ATOM 1624 N LEU A 107 1.838 10.094 3.550 1.00 0.00 N ATOM 1625 CA LEU A 107 1.315 9.566 4.801 1.00 0.00 C ATOM 1626 C LEU A 107 1.286 10.672 5.858 1.00 0.00 C ATOM 1627 O LEU A 107 0.278 10.848 6.541 1.00 0.00 O ATOM 1628 CB LEU A 107 2.162 8.374 5.268 1.00 0.00 C ATOM 1629 CG LEU A 107 1.987 7.126 4.384 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.134 6.148 4.658 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.653 6.419 4.649 1.00 0.00 C ATOM 0 H LEU A 107 2.707 9.653 3.249 1.00 0.00 H new ATOM 0 HA LEU A 107 0.295 9.213 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.213 8.663 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.894 8.125 6.295 1.00 0.00 H new ATOM 0 HG LEU A 107 1.996 7.451 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.014 5.262 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.085 6.628 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.120 5.856 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.571 5.544 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.608 6.107 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.169 7.103 4.439 1.00 0.00 H new ATOM 1643 N ALA A 108 2.388 11.417 5.985 1.00 0.00 N ATOM 1644 CA ALA A 108 2.537 12.519 6.927 1.00 0.00 C ATOM 1645 C ALA A 108 2.013 12.144 8.315 1.00 0.00 C ATOM 1646 O ALA A 108 2.793 11.932 9.242 1.00 0.00 O ATOM 1647 CB ALA A 108 1.838 13.767 6.381 1.00 0.00 C ATOM 0 H ALA A 108 3.221 11.262 5.418 1.00 0.00 H new ATOM 0 HA ALA A 108 3.599 12.738 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.953 14.587 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.285 14.046 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.778 13.557 6.238 1.00 0.00 H new