USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 10 GLN : amide:sc= -11.7! C(o=-19!,f=-23!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 146:sc= -0.838 (180deg=-1.03) USER MOD Set 1.3: A 84 HIS :FLIP no HD1:sc= -6.1! C(o=-19!,f=-19!) USER MOD Set 2.1: A 1 MET N :NH3+ 175:sc= 0.487 (180deg=0) USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= 0.341 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0944 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 160:sc= -0.375 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -4.11! USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 0.379 (180deg=0) USER MOD Single : A 41 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0693) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 66:sc= 1.52 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 11:sc= 0.0394 USER MOD Single : A 83 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.24) USER MOD Single : A 89 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.54) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.049 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.067 -17.601 -1.196 1.00 0.00 N ATOM 2 CA MET A 1 8.248 -18.273 -1.800 1.00 0.00 C ATOM 3 C MET A 1 9.297 -17.260 -2.239 1.00 0.00 C ATOM 4 O MET A 1 10.471 -17.376 -1.885 1.00 0.00 O ATOM 5 CB MET A 1 7.780 -19.106 -2.995 1.00 0.00 C ATOM 6 CG MET A 1 8.899 -19.884 -3.670 1.00 0.00 C ATOM 7 SD MET A 1 9.257 -21.443 -2.837 1.00 0.00 S ATOM 8 CE MET A 1 10.579 -22.085 -3.861 1.00 0.00 C ATOM 0 H1 MET A 1 6.335 -18.309 -0.985 1.00 0.00 H new ATOM 0 H2 MET A 1 7.351 -17.124 -0.317 1.00 0.00 H new ATOM 0 H3 MET A 1 6.688 -16.900 -1.864 1.00 0.00 H new ATOM 0 HA MET A 1 8.711 -18.918 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.013 -19.805 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.314 -18.446 -3.727 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.624 -20.084 -4.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.801 -19.272 -3.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.907 -23.048 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.220 -22.211 -4.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.416 -21.387 -3.854 1.00 0.00 H new ATOM 18 N LEU A 2 8.873 -16.267 -3.011 1.00 0.00 N ATOM 19 CA LEU A 2 9.785 -15.239 -3.493 1.00 0.00 C ATOM 20 C LEU A 2 9.310 -13.848 -3.085 1.00 0.00 C ATOM 21 O LEU A 2 8.122 -13.538 -3.160 1.00 0.00 O ATOM 22 CB LEU A 2 9.926 -15.322 -5.013 1.00 0.00 C ATOM 23 CG LEU A 2 9.423 -16.621 -5.646 1.00 0.00 C ATOM 24 CD1 LEU A 2 7.915 -16.576 -5.837 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.122 -16.869 -6.974 1.00 0.00 C ATOM 0 H LEU A 2 7.906 -16.152 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 2 10.759 -15.414 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.385 -14.487 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.977 -15.194 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 2 9.657 -17.445 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.577 -17.509 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.430 -16.444 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.656 -15.742 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.753 -17.797 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.918 -16.041 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.197 -16.947 -6.810 1.00 0.00 H new ATOM 37 N THR A 3 10.252 -13.016 -2.651 1.00 0.00 N ATOM 38 CA THR A 3 9.941 -11.656 -2.225 1.00 0.00 C ATOM 39 C THR A 3 9.189 -10.890 -3.307 1.00 0.00 C ATOM 40 O THR A 3 9.604 -10.860 -4.466 1.00 0.00 O ATOM 41 CB THR A 3 11.222 -10.881 -1.865 1.00 0.00 C ATOM 42 OG1 THR A 3 12.270 -11.766 -1.455 1.00 0.00 O ATOM 43 CG2 THR A 3 10.960 -9.890 -0.742 1.00 0.00 C ATOM 0 H THR A 3 11.240 -13.261 -2.585 1.00 0.00 H new ATOM 0 HA THR A 3 9.307 -11.740 -1.342 1.00 0.00 H new ATOM 0 HB THR A 3 11.531 -10.347 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 3 13.070 -11.245 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.880 -9.355 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.197 -9.178 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.615 -10.425 0.143 1.00 0.00 H new ATOM 51 N PRO A 4 8.070 -10.249 -2.936 1.00 0.00 N ATOM 52 CA PRO A 4 7.256 -9.469 -3.870 1.00 0.00 C ATOM 53 C PRO A 4 7.933 -8.159 -4.257 1.00 0.00 C ATOM 54 O PRO A 4 8.496 -7.468 -3.407 1.00 0.00 O ATOM 55 CB PRO A 4 5.976 -9.193 -3.080 1.00 0.00 C ATOM 56 CG PRO A 4 6.399 -9.231 -1.652 1.00 0.00 C ATOM 57 CD PRO A 4 7.518 -10.234 -1.569 1.00 0.00 C ATOM 0 HA PRO A 4 7.086 -9.997 -4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.550 -8.224 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.213 -9.943 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.732 -8.248 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.569 -9.521 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.269 -9.938 -0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.154 -11.218 -1.272 1.00 0.00 H new ATOM 65 N ALA A 5 7.881 -7.821 -5.541 1.00 0.00 N ATOM 66 CA ALA A 5 8.497 -6.594 -6.031 1.00 0.00 C ATOM 67 C ALA A 5 7.489 -5.452 -6.077 1.00 0.00 C ATOM 68 O ALA A 5 7.261 -4.857 -7.131 1.00 0.00 O ATOM 69 CB ALA A 5 9.108 -6.809 -7.407 1.00 0.00 C ATOM 0 H ALA A 5 7.419 -8.379 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 5 9.290 -6.322 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.562 -5.880 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.870 -7.586 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.330 -7.115 -8.107 1.00 0.00 H new ATOM 75 N PHE A 6 6.891 -5.146 -4.930 1.00 0.00 N ATOM 76 CA PHE A 6 5.913 -4.073 -4.844 1.00 0.00 C ATOM 77 C PHE A 6 6.592 -2.710 -4.946 1.00 0.00 C ATOM 78 O PHE A 6 7.818 -2.614 -4.891 1.00 0.00 O ATOM 79 CB PHE A 6 5.139 -4.178 -3.530 1.00 0.00 C ATOM 80 CG PHE A 6 5.943 -3.789 -2.321 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.160 -2.455 -2.016 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.481 -4.759 -1.489 1.00 0.00 C ATOM 83 CE1 PHE A 6 6.896 -2.095 -0.902 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.218 -4.405 -0.375 1.00 0.00 C ATOM 85 CZ PHE A 6 7.426 -3.072 -0.082 1.00 0.00 C ATOM 0 H PHE A 6 7.068 -5.627 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 6 5.218 -4.171 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.256 -3.542 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.787 -5.202 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.750 -1.688 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.322 -5.803 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.056 -1.052 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.631 -5.170 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.003 -2.793 0.788 1.00 0.00 H new ATOM 95 N ASP A 7 5.791 -1.661 -5.098 1.00 0.00 N ATOM 96 CA ASP A 7 6.320 -0.307 -5.209 1.00 0.00 C ATOM 97 C ASP A 7 5.267 0.723 -4.810 1.00 0.00 C ATOM 98 O ASP A 7 4.079 0.406 -4.728 1.00 0.00 O ATOM 99 CB ASP A 7 6.797 -0.040 -6.637 1.00 0.00 C ATOM 100 CG ASP A 7 8.304 -0.134 -6.767 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.997 -0.020 -5.734 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.792 -0.321 -7.901 1.00 0.00 O ATOM 0 H ASP A 7 4.774 -1.722 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 7 7.166 -0.217 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.331 -0.756 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.469 0.952 -6.948 1.00 0.00 H new ATOM 107 N LEU A 8 5.706 1.951 -4.553 1.00 0.00 N ATOM 108 CA LEU A 8 4.792 3.014 -4.152 1.00 0.00 C ATOM 109 C LEU A 8 4.968 4.267 -5.005 1.00 0.00 C ATOM 110 O LEU A 8 6.085 4.655 -5.347 1.00 0.00 O ATOM 111 CB LEU A 8 5.007 3.369 -2.679 1.00 0.00 C ATOM 112 CG LEU A 8 5.272 2.179 -1.756 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.493 2.443 -0.890 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.054 1.894 -0.892 1.00 0.00 C ATOM 0 H LEU A 8 6.684 2.234 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 8 3.778 2.642 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.848 4.059 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.127 3.900 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 8 5.469 1.300 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.669 1.587 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.364 2.599 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.323 3.332 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.260 1.044 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.826 2.770 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.201 1.664 -1.530 1.00 0.00 H new ATOM 126 N SER A 9 3.845 4.905 -5.320 1.00 0.00 N ATOM 127 CA SER A 9 3.835 6.133 -6.107 1.00 0.00 C ATOM 128 C SER A 9 2.803 7.086 -5.526 1.00 0.00 C ATOM 129 O SER A 9 1.691 6.674 -5.195 1.00 0.00 O ATOM 130 CB SER A 9 3.522 5.833 -7.575 1.00 0.00 C ATOM 131 OG SER A 9 2.386 6.559 -8.012 1.00 0.00 O ATOM 0 H SER A 9 2.918 4.586 -5.038 1.00 0.00 H new ATOM 0 HA SER A 9 4.821 6.595 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.382 6.090 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.346 4.765 -7.702 1.00 0.00 H new ATOM 0 HG SER A 9 2.207 6.352 -8.953 1.00 0.00 H new ATOM 137 N GLN A 10 3.174 8.351 -5.363 1.00 0.00 N ATOM 138 CA GLN A 10 2.262 9.320 -4.772 1.00 0.00 C ATOM 139 C GLN A 10 2.151 10.604 -5.588 1.00 0.00 C ATOM 140 O GLN A 10 3.128 11.085 -6.165 1.00 0.00 O ATOM 141 CB GLN A 10 2.718 9.649 -3.352 1.00 0.00 C ATOM 142 CG GLN A 10 3.851 10.661 -3.295 1.00 0.00 C ATOM 143 CD GLN A 10 3.373 12.085 -3.490 1.00 0.00 C ATOM 144 OE1 GLN A 10 3.931 12.836 -4.290 1.00 0.00 O ATOM 145 NE2 GLN A 10 2.332 12.466 -2.758 1.00 0.00 N ATOM 0 H GLN A 10 4.086 8.724 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 10 1.272 8.865 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.869 10.034 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.038 8.730 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.357 10.580 -2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.586 10.421 -4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.899 11.811 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.965 13.414 -2.847 1.00 0.00 H new ATOM 154 N ASP A 11 0.942 11.155 -5.607 1.00 0.00 N ATOM 155 CA ASP A 11 0.651 12.390 -6.317 1.00 0.00 C ATOM 156 C ASP A 11 0.360 13.510 -5.321 1.00 0.00 C ATOM 157 O ASP A 11 0.053 13.252 -4.157 1.00 0.00 O ATOM 158 CB ASP A 11 -0.543 12.198 -7.254 1.00 0.00 C ATOM 159 CG ASP A 11 -0.127 11.743 -8.640 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.652 10.772 -8.737 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.580 12.358 -9.627 1.00 0.00 O ATOM 0 H ASP A 11 0.135 10.754 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 11 1.522 12.663 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.224 11.464 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.093 13.136 -7.333 1.00 0.00 H new ATOM 166 N PRO A 12 0.460 14.771 -5.764 1.00 0.00 N ATOM 167 CA PRO A 12 0.215 15.942 -4.908 1.00 0.00 C ATOM 168 C PRO A 12 -1.223 16.037 -4.393 1.00 0.00 C ATOM 169 O PRO A 12 -1.551 16.955 -3.640 1.00 0.00 O ATOM 170 CB PRO A 12 0.528 17.129 -5.823 1.00 0.00 C ATOM 171 CG PRO A 12 0.391 16.594 -7.207 1.00 0.00 C ATOM 172 CD PRO A 12 0.826 15.160 -7.136 1.00 0.00 C ATOM 0 HA PRO A 12 0.824 15.898 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.162 17.955 -5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.533 17.511 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.638 16.673 -7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.010 17.156 -7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.317 14.546 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.896 15.053 -7.314 1.00 0.00 H new ATOM 180 N ASP A 13 -2.073 15.088 -4.773 1.00 0.00 N ATOM 181 CA ASP A 13 -3.462 15.078 -4.314 1.00 0.00 C ATOM 182 C ASP A 13 -3.896 13.674 -3.898 1.00 0.00 C ATOM 183 O ASP A 13 -5.065 13.451 -3.589 1.00 0.00 O ATOM 184 CB ASP A 13 -4.394 15.590 -5.411 1.00 0.00 C ATOM 185 CG ASP A 13 -4.042 16.991 -5.869 1.00 0.00 C ATOM 186 OD1 ASP A 13 -2.841 17.261 -6.087 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.966 17.820 -6.011 1.00 0.00 O ATOM 0 H ASP A 13 -1.828 14.318 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.525 15.737 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.352 14.912 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.421 15.579 -5.045 1.00 0.00 H new ATOM 192 N PHE A 14 -2.949 12.737 -3.887 1.00 0.00 N ATOM 193 CA PHE A 14 -3.243 11.354 -3.511 1.00 0.00 C ATOM 194 C PHE A 14 -1.971 10.537 -3.313 1.00 0.00 C ATOM 195 O PHE A 14 -0.877 10.955 -3.686 1.00 0.00 O ATOM 196 CB PHE A 14 -4.083 10.655 -4.592 1.00 0.00 C ATOM 197 CG PHE A 14 -5.296 11.417 -5.043 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.195 12.396 -6.018 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.538 11.146 -4.495 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.311 13.094 -6.436 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.659 11.841 -4.909 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.545 12.817 -5.880 1.00 0.00 C ATOM 0 H PHE A 14 -1.974 12.909 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.795 11.405 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.449 10.465 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.402 9.685 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.233 12.616 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.632 10.384 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.219 13.855 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.623 11.621 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.419 13.363 -6.204 1.00 0.00 H new ATOM 212 N LEU A 15 -2.150 9.345 -2.756 1.00 0.00 N ATOM 213 CA LEU A 15 -1.058 8.407 -2.532 1.00 0.00 C ATOM 214 C LEU A 15 -1.498 7.034 -3.013 1.00 0.00 C ATOM 215 O LEU A 15 -2.494 6.498 -2.527 1.00 0.00 O ATOM 216 CB LEU A 15 -0.682 8.337 -1.049 1.00 0.00 C ATOM 217 CG LEU A 15 0.224 7.167 -0.666 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.602 5.948 -0.281 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.170 6.836 -1.810 1.00 0.00 C ATOM 0 H LEU A 15 -3.059 9.001 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.180 8.745 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.186 9.267 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.597 8.276 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 15 0.817 7.459 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.064 5.128 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.238 6.193 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.224 5.649 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.809 6.001 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.592 6.564 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.788 7.706 -2.034 1.00 0.00 H new ATOM 231 N THR A 16 -0.784 6.462 -3.975 1.00 0.00 N ATOM 232 CA THR A 16 -1.153 5.158 -4.498 1.00 0.00 C ATOM 233 C THR A 16 -0.123 4.103 -4.123 1.00 0.00 C ATOM 234 O THR A 16 1.063 4.400 -3.974 1.00 0.00 O ATOM 235 CB THR A 16 -1.302 5.190 -6.031 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.287 6.147 -6.441 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.705 3.825 -6.566 1.00 0.00 C ATOM 0 H THR A 16 0.044 6.877 -4.403 1.00 0.00 H new ATOM 0 HA THR A 16 -2.113 4.899 -4.051 1.00 0.00 H new ATOM 0 HB THR A 16 -0.331 5.475 -6.436 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.144 6.382 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.804 3.874 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.942 3.092 -6.304 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.658 3.529 -6.128 1.00 0.00 H new ATOM 245 N ILE A 17 -0.586 2.872 -3.973 1.00 0.00 N ATOM 246 CA ILE A 17 0.284 1.762 -3.617 1.00 0.00 C ATOM 247 C ILE A 17 0.152 0.635 -4.641 1.00 0.00 C ATOM 248 O ILE A 17 -0.893 0.488 -5.275 1.00 0.00 O ATOM 249 CB ILE A 17 -0.049 1.240 -2.206 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.172 2.413 -1.222 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.010 0.253 -1.738 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.880 2.053 0.067 1.00 0.00 C ATOM 0 H ILE A 17 -1.566 2.615 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 17 1.314 2.120 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.005 0.719 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.825 2.785 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.710 3.228 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.758 -0.105 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.050 -0.591 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.981 0.747 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.929 2.930 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.890 1.709 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.331 1.260 0.574 1.00 0.00 H new ATOM 264 N ALA A 18 1.215 -0.150 -4.816 1.00 0.00 N ATOM 265 CA ALA A 18 1.195 -1.244 -5.785 1.00 0.00 C ATOM 266 C ALA A 18 1.907 -2.487 -5.261 1.00 0.00 C ATOM 267 O ALA A 18 3.085 -2.439 -4.910 1.00 0.00 O ATOM 268 CB ALA A 18 1.818 -0.806 -7.103 1.00 0.00 C ATOM 0 H ALA A 18 2.092 -0.050 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 18 0.149 -1.504 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.793 -1.635 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.256 0.035 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.852 -0.504 -6.934 1.00 0.00 H new ATOM 274 N ILE A 19 1.180 -3.602 -5.220 1.00 0.00 N ATOM 275 CA ILE A 19 1.732 -4.868 -4.747 1.00 0.00 C ATOM 276 C ILE A 19 1.543 -5.971 -5.787 1.00 0.00 C ATOM 277 O ILE A 19 0.445 -6.159 -6.305 1.00 0.00 O ATOM 278 CB ILE A 19 1.064 -5.315 -3.434 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.847 -4.118 -2.507 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.903 -6.381 -2.748 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.195 -4.488 -1.193 1.00 0.00 C ATOM 0 H ILE A 19 0.203 -3.653 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 19 2.796 -4.703 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 19 0.090 -5.744 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.808 -3.644 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.227 -3.380 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.417 -6.686 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.004 -7.244 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.891 -5.978 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.071 -3.593 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.780 -4.935 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.824 -5.203 -0.663 1.00 0.00 H new ATOM 293 N ARG A 20 2.613 -6.706 -6.081 1.00 0.00 N ATOM 294 CA ARG A 20 2.538 -7.793 -7.054 1.00 0.00 C ATOM 295 C ARG A 20 2.630 -9.149 -6.360 1.00 0.00 C ATOM 296 O ARG A 20 3.619 -9.450 -5.692 1.00 0.00 O ATOM 297 CB ARG A 20 3.655 -7.665 -8.093 1.00 0.00 C ATOM 298 CG ARG A 20 4.710 -6.631 -7.734 1.00 0.00 C ATOM 299 CD ARG A 20 4.129 -5.226 -7.718 1.00 0.00 C ATOM 300 NE ARG A 20 5.089 -4.230 -8.185 1.00 0.00 N ATOM 301 CZ ARG A 20 4.739 -3.043 -8.669 1.00 0.00 C ATOM 302 NH1 ARG A 20 3.459 -2.712 -8.754 1.00 0.00 N ATOM 303 NH2 ARG A 20 5.670 -2.187 -9.069 1.00 0.00 N ATOM 0 H ARG A 20 3.534 -6.571 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 20 1.575 -7.723 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.137 -8.635 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.215 -7.403 -9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.131 -6.863 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.528 -6.680 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.240 -5.195 -8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.812 -4.977 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 20 6.082 -4.458 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.741 -3.369 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.192 -1.801 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.656 -2.440 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.400 -1.276 -9.440 1.00 0.00 H new ATOM 317 N VAL A 21 1.585 -9.959 -6.510 1.00 0.00 N ATOM 318 CA VAL A 21 1.551 -11.275 -5.882 1.00 0.00 C ATOM 319 C VAL A 21 0.817 -12.302 -6.740 1.00 0.00 C ATOM 320 O VAL A 21 -0.253 -12.027 -7.281 1.00 0.00 O ATOM 321 CB VAL A 21 0.879 -11.212 -4.498 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.676 -10.320 -3.559 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.555 -10.719 -4.622 1.00 0.00 C ATOM 0 H VAL A 21 0.756 -9.728 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 21 2.589 -11.589 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 21 0.858 -12.218 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.187 -10.287 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.684 -10.720 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.730 -9.313 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.013 -10.681 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.560 -9.722 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.120 -11.400 -5.258 1.00 0.00 H new ATOM 333 N SER A 22 1.398 -13.495 -6.841 1.00 0.00 N ATOM 334 CA SER A 22 0.803 -14.581 -7.611 1.00 0.00 C ATOM 335 C SER A 22 0.374 -15.710 -6.677 1.00 0.00 C ATOM 336 O SER A 22 -0.652 -16.354 -6.890 1.00 0.00 O ATOM 337 CB SER A 22 1.797 -15.105 -8.650 1.00 0.00 C ATOM 338 OG SER A 22 1.574 -14.508 -9.916 1.00 0.00 O ATOM 0 H SER A 22 2.285 -13.733 -6.396 1.00 0.00 H new ATOM 0 HA SER A 22 -0.075 -14.200 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.815 -14.897 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.704 -16.188 -8.734 1.00 0.00 H new ATOM 0 HG SER A 22 2.223 -14.858 -10.562 1.00 0.00 H new ATOM 344 N TYR A 23 1.169 -15.929 -5.632 1.00 0.00 N ATOM 345 CA TYR A 23 0.886 -16.965 -4.641 1.00 0.00 C ATOM 346 C TYR A 23 -0.406 -16.662 -3.883 1.00 0.00 C ATOM 347 O TYR A 23 -0.904 -17.505 -3.137 1.00 0.00 O ATOM 348 CB TYR A 23 2.046 -17.081 -3.650 1.00 0.00 C ATOM 349 CG TYR A 23 3.220 -17.874 -4.176 1.00 0.00 C ATOM 350 CD1 TYR A 23 4.054 -17.349 -5.155 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.494 -19.147 -3.693 1.00 0.00 C ATOM 352 CE1 TYR A 23 5.128 -18.070 -5.639 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.567 -19.876 -4.172 1.00 0.00 C ATOM 354 CZ TYR A 23 5.381 -19.333 -5.144 1.00 0.00 C ATOM 355 OH TYR A 23 6.450 -20.055 -5.623 1.00 0.00 O ATOM 0 H TYR A 23 2.021 -15.398 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 23 0.765 -17.910 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.386 -16.080 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.684 -17.549 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.859 -16.361 -5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.859 -19.574 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.766 -17.648 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.767 -20.865 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 23 6.488 -20.923 -5.169 1.00 0.00 H new ATOM 365 N ALA A 24 -0.927 -15.449 -4.078 1.00 0.00 N ATOM 366 CA ALA A 24 -2.157 -15.001 -3.421 1.00 0.00 C ATOM 367 C ALA A 24 -3.025 -16.172 -2.972 1.00 0.00 C ATOM 368 O ALA A 24 -3.924 -16.606 -3.693 1.00 0.00 O ATOM 369 CB ALA A 24 -2.954 -14.087 -4.339 1.00 0.00 C ATOM 0 H ALA A 24 -0.510 -14.751 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.860 -14.446 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.864 -13.766 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.353 -13.214 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.217 -14.625 -5.249 1.00 0.00 H new ATOM 375 N ARG A 25 -2.754 -16.675 -1.771 1.00 0.00 N ATOM 376 CA ARG A 25 -3.513 -17.792 -1.219 1.00 0.00 C ATOM 377 C ARG A 25 -4.942 -17.366 -0.903 1.00 0.00 C ATOM 378 O ARG A 25 -5.885 -17.753 -1.592 1.00 0.00 O ATOM 379 CB ARG A 25 -2.838 -18.321 0.045 1.00 0.00 C ATOM 380 CG ARG A 25 -2.401 -19.771 -0.065 1.00 0.00 C ATOM 381 CD ARG A 25 -2.228 -20.403 1.305 1.00 0.00 C ATOM 382 NE ARG A 25 -2.160 -21.859 1.232 1.00 0.00 N ATOM 383 CZ ARG A 25 -2.524 -22.663 2.225 1.00 0.00 C ATOM 384 NH1 ARG A 25 -2.963 -22.152 3.368 1.00 0.00 N ATOM 385 NH2 ARG A 25 -2.444 -23.978 2.079 1.00 0.00 N ATOM 0 H ARG A 25 -2.014 -16.326 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.541 -18.586 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.968 -17.703 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.526 -18.219 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.140 -20.333 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.462 -19.829 -0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.318 -20.021 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.059 -20.111 1.946 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.814 -22.283 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.021 -21.140 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.242 -22.771 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.103 -24.374 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.724 -24.594 2.842 1.00 0.00 H new ATOM 399 N VAL A 26 -5.092 -16.564 0.147 1.00 0.00 N ATOM 400 CA VAL A 26 -6.403 -16.078 0.561 1.00 0.00 C ATOM 401 C VAL A 26 -7.162 -15.483 -0.619 1.00 0.00 C ATOM 402 O VAL A 26 -6.593 -14.756 -1.433 1.00 0.00 O ATOM 403 CB VAL A 26 -6.281 -15.019 1.671 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.461 -15.556 2.835 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.668 -13.739 1.125 1.00 0.00 C ATOM 0 H VAL A 26 -4.320 -16.237 0.727 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.955 -16.934 0.948 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.281 -14.788 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.386 -14.793 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.947 -16.442 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.462 -15.818 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.590 -13.003 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.675 -13.951 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.299 -13.344 0.329 1.00 0.00 H new ATOM 415 N SER A 27 -8.450 -15.798 -0.709 1.00 0.00 N ATOM 416 CA SER A 27 -9.285 -15.295 -1.794 1.00 0.00 C ATOM 417 C SER A 27 -9.378 -13.773 -1.756 1.00 0.00 C ATOM 418 O SER A 27 -9.327 -13.115 -2.795 1.00 0.00 O ATOM 419 CB SER A 27 -10.683 -15.908 -1.720 1.00 0.00 C ATOM 420 OG SER A 27 -11.400 -15.689 -2.923 1.00 0.00 O ATOM 0 H SER A 27 -8.938 -16.399 -0.044 1.00 0.00 H new ATOM 0 HA SER A 27 -8.820 -15.585 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.605 -16.978 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.230 -15.474 -0.883 1.00 0.00 H new ATOM 0 HG SER A 27 -12.290 -16.092 -2.851 1.00 0.00 H new ATOM 426 N GLU A 28 -9.515 -13.217 -0.556 1.00 0.00 N ATOM 427 CA GLU A 28 -9.613 -11.771 -0.393 1.00 0.00 C ATOM 428 C GLU A 28 -8.487 -11.251 0.493 1.00 0.00 C ATOM 429 O GLU A 28 -8.087 -11.910 1.454 1.00 0.00 O ATOM 430 CB GLU A 28 -10.968 -11.396 0.213 1.00 0.00 C ATOM 431 CG GLU A 28 -11.377 -9.954 -0.045 1.00 0.00 C ATOM 432 CD GLU A 28 -12.269 -9.810 -1.262 1.00 0.00 C ATOM 433 OE1 GLU A 28 -12.518 -10.829 -1.940 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.720 -8.677 -1.537 1.00 0.00 O ATOM 0 H GLU A 28 -9.561 -13.745 0.316 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.523 -11.310 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.733 -12.059 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.935 -11.568 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.898 -9.566 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.483 -9.345 -0.180 1.00 0.00 H new ATOM 441 N PHE A 29 -7.974 -10.071 0.164 1.00 0.00 N ATOM 442 CA PHE A 29 -6.892 -9.469 0.933 1.00 0.00 C ATOM 443 C PHE A 29 -7.430 -8.440 1.920 1.00 0.00 C ATOM 444 O PHE A 29 -8.574 -7.997 1.810 1.00 0.00 O ATOM 445 CB PHE A 29 -5.875 -8.812 -0.001 1.00 0.00 C ATOM 446 CG PHE A 29 -5.752 -9.496 -1.335 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.952 -10.863 -1.450 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.436 -8.770 -2.471 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.838 -11.491 -2.675 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.321 -9.393 -3.698 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.522 -10.756 -3.802 1.00 0.00 C ATOM 0 H PHE A 29 -8.290 -9.513 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.399 -10.262 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.160 -7.772 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.900 -8.805 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.199 -11.443 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.278 -7.704 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.996 -12.557 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.074 -8.815 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.433 -11.245 -4.761 1.00 0.00 H new ATOM 461 N ASP A 30 -6.598 -8.062 2.884 1.00 0.00 N ATOM 462 CA ASP A 30 -6.988 -7.085 3.892 1.00 0.00 C ATOM 463 C ASP A 30 -6.197 -5.791 3.733 1.00 0.00 C ATOM 464 O ASP A 30 -4.971 -5.780 3.855 1.00 0.00 O ATOM 465 CB ASP A 30 -6.776 -7.660 5.294 1.00 0.00 C ATOM 466 CG ASP A 30 -6.849 -9.174 5.314 1.00 0.00 C ATOM 467 OD1 ASP A 30 -7.620 -9.742 4.511 1.00 0.00 O ATOM 468 OD2 ASP A 30 -6.135 -9.793 6.131 1.00 0.00 O ATOM 0 H ASP A 30 -5.648 -8.418 2.988 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.045 -6.859 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.805 -7.341 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.530 -7.254 5.968 1.00 0.00 H new ATOM 473 N VAL A 31 -6.906 -4.700 3.461 1.00 0.00 N ATOM 474 CA VAL A 31 -6.273 -3.399 3.287 1.00 0.00 C ATOM 475 C VAL A 31 -6.794 -2.399 4.313 1.00 0.00 C ATOM 476 O VAL A 31 -7.972 -2.039 4.300 1.00 0.00 O ATOM 477 CB VAL A 31 -6.518 -2.840 1.873 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.497 -1.763 1.536 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.482 -3.960 0.842 1.00 0.00 C ATOM 0 H VAL A 31 -7.921 -4.692 3.356 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.202 -3.543 3.431 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.509 -2.386 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.688 -1.382 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.577 -0.948 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.494 -2.187 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.657 -3.546 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.506 -4.445 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.257 -4.691 1.072 1.00 0.00 H new ATOM 489 N TYR A 32 -5.913 -1.955 5.202 1.00 0.00 N ATOM 490 CA TYR A 32 -6.290 -0.998 6.235 1.00 0.00 C ATOM 491 C TYR A 32 -5.352 0.203 6.233 1.00 0.00 C ATOM 492 O TYR A 32 -4.136 0.055 6.353 1.00 0.00 O ATOM 493 CB TYR A 32 -6.274 -1.666 7.611 1.00 0.00 C ATOM 494 CG TYR A 32 -7.293 -2.774 7.762 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.653 -2.491 7.803 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.894 -4.100 7.866 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.586 -3.500 7.945 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.822 -5.115 8.007 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.167 -4.810 8.047 1.00 0.00 C ATOM 500 OH TYR A 32 -10.093 -5.817 8.187 1.00 0.00 O ATOM 0 H TYR A 32 -4.935 -2.242 5.228 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.300 -0.650 6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.279 -2.072 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.457 -0.910 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.986 -1.467 7.723 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.842 -4.342 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.639 -3.264 7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.496 -6.142 8.085 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.632 -6.680 8.244 1.00 0.00 H new ATOM 510 N PHE A 33 -5.926 1.396 6.103 1.00 0.00 N ATOM 511 CA PHE A 33 -5.141 2.622 6.092 1.00 0.00 C ATOM 512 C PHE A 33 -5.615 3.578 7.182 1.00 0.00 C ATOM 513 O PHE A 33 -6.751 4.050 7.156 1.00 0.00 O ATOM 514 CB PHE A 33 -5.226 3.298 4.722 1.00 0.00 C ATOM 515 CG PHE A 33 -6.592 3.829 4.393 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.564 2.996 3.861 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.903 5.160 4.612 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.820 3.482 3.554 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.157 5.653 4.307 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.117 4.813 3.778 1.00 0.00 C ATOM 0 H PHE A 33 -6.931 1.537 6.004 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.101 2.362 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.509 4.118 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.930 2.582 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.337 1.955 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.156 5.821 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.569 2.823 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.386 6.694 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.098 5.196 3.540 1.00 0.00 H new ATOM 530 N GLU A 34 -4.738 3.858 8.143 1.00 0.00 N ATOM 531 CA GLU A 34 -5.073 4.756 9.242 1.00 0.00 C ATOM 532 C GLU A 34 -3.914 5.695 9.563 1.00 0.00 C ATOM 533 O GLU A 34 -2.815 5.250 9.898 1.00 0.00 O ATOM 534 CB GLU A 34 -5.452 3.952 10.488 1.00 0.00 C ATOM 535 CG GLU A 34 -4.668 2.659 10.641 1.00 0.00 C ATOM 536 CD GLU A 34 -3.737 2.681 11.837 1.00 0.00 C ATOM 537 OE1 GLU A 34 -3.542 3.770 12.417 1.00 0.00 O ATOM 538 OE2 GLU A 34 -3.203 1.610 12.194 1.00 0.00 O ATOM 0 H GLU A 34 -3.793 3.477 8.182 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.925 5.360 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.292 4.570 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.516 3.719 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.364 1.826 10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.087 2.481 9.736 1.00 0.00 H new ATOM 545 N GLY A 35 -4.170 6.995 9.466 1.00 0.00 N ATOM 546 CA GLY A 35 -3.146 7.982 9.754 1.00 0.00 C ATOM 547 C GLY A 35 -1.797 7.625 9.159 1.00 0.00 C ATOM 548 O GLY A 35 -0.811 7.478 9.881 1.00 0.00 O ATOM 0 H GLY A 35 -5.072 7.384 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.463 8.950 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.044 8.088 10.834 1.00 0.00 H new ATOM 552 N SER A 36 -1.751 7.494 7.837 1.00 0.00 N ATOM 553 CA SER A 36 -0.512 7.159 7.143 1.00 0.00 C ATOM 554 C SER A 36 -0.019 5.768 7.528 1.00 0.00 C ATOM 555 O SER A 36 1.165 5.458 7.389 1.00 0.00 O ATOM 556 CB SER A 36 0.568 8.199 7.449 1.00 0.00 C ATOM 557 OG SER A 36 0.056 9.244 8.257 1.00 0.00 O ATOM 0 H SER A 36 -2.558 7.615 7.224 1.00 0.00 H new ATOM 0 HA SER A 36 -0.719 7.162 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.405 7.720 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.954 8.612 6.517 1.00 0.00 H new ATOM 0 HG SER A 36 0.766 9.894 8.440 1.00 0.00 H new ATOM 563 N ASP A 37 -0.934 4.927 7.995 1.00 0.00 N ATOM 564 CA ASP A 37 -0.592 3.564 8.381 1.00 0.00 C ATOM 565 C ASP A 37 -1.224 2.575 7.410 1.00 0.00 C ATOM 566 O ASP A 37 -2.425 2.323 7.466 1.00 0.00 O ATOM 567 CB ASP A 37 -1.064 3.275 9.807 1.00 0.00 C ATOM 568 CG ASP A 37 -0.235 2.200 10.484 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.874 1.905 9.990 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.696 1.653 11.508 1.00 0.00 O ATOM 0 H ASP A 37 -1.918 5.165 8.115 1.00 0.00 H new ATOM 0 HA ASP A 37 0.492 3.454 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.016 4.191 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.109 2.965 9.785 1.00 0.00 H new ATOM 575 N PHE A 38 -0.410 2.027 6.516 1.00 0.00 N ATOM 576 CA PHE A 38 -0.896 1.077 5.521 1.00 0.00 C ATOM 577 C PHE A 38 -0.568 -0.360 5.912 1.00 0.00 C ATOM 578 O PHE A 38 0.599 -0.753 5.944 1.00 0.00 O ATOM 579 CB PHE A 38 -0.286 1.396 4.154 1.00 0.00 C ATOM 580 CG PHE A 38 -0.796 0.517 3.050 1.00 0.00 C ATOM 581 CD1 PHE A 38 -2.021 0.772 2.456 1.00 0.00 C ATOM 582 CD2 PHE A 38 -0.051 -0.563 2.605 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.494 -0.036 1.438 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.518 -1.373 1.589 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.742 -1.109 1.004 1.00 0.00 C ATOM 0 H PHE A 38 0.589 2.224 6.459 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.981 1.172 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.496 2.436 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.798 1.295 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.613 1.611 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.906 -0.774 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.451 0.172 0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.073 -2.212 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.109 -1.741 0.209 1.00 0.00 H new ATOM 595 N LYS A 39 -1.604 -1.140 6.206 1.00 0.00 N ATOM 596 CA LYS A 39 -1.423 -2.535 6.593 1.00 0.00 C ATOM 597 C LYS A 39 -2.088 -3.472 5.588 1.00 0.00 C ATOM 598 O LYS A 39 -3.314 -3.521 5.483 1.00 0.00 O ATOM 599 CB LYS A 39 -1.992 -2.782 7.990 1.00 0.00 C ATOM 600 CG LYS A 39 -2.133 -1.519 8.821 1.00 0.00 C ATOM 601 CD LYS A 39 -0.792 -1.064 9.374 1.00 0.00 C ATOM 602 CE LYS A 39 -0.283 -2.011 10.447 1.00 0.00 C ATOM 603 NZ LYS A 39 0.079 -1.288 11.697 1.00 0.00 N ATOM 0 H LYS A 39 -2.576 -0.830 6.184 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.353 -2.743 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.969 -3.256 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.346 -3.484 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.564 -0.726 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.825 -1.699 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.064 -1.005 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.890 -0.061 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.048 -2.756 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.588 -2.549 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.112 -1.301 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.250 -0.303 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.371 -1.754 12.510 1.00 0.00 H new ATOM 617 N PHE A 40 -1.267 -4.217 4.858 1.00 0.00 N ATOM 618 CA PHE A 40 -1.769 -5.159 3.863 1.00 0.00 C ATOM 619 C PHE A 40 -1.576 -6.599 4.326 1.00 0.00 C ATOM 620 O PHE A 40 -0.448 -7.086 4.403 1.00 0.00 O ATOM 621 CB PHE A 40 -1.058 -4.952 2.525 1.00 0.00 C ATOM 622 CG PHE A 40 -1.535 -5.885 1.449 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.747 -5.668 0.814 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.773 -6.982 1.077 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.191 -6.528 -0.174 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.212 -7.844 0.091 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.422 -7.617 -0.535 1.00 0.00 C ATOM 0 H PHE A 40 -0.250 -4.188 4.936 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.836 -4.973 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.208 -3.923 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.014 -5.089 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.352 -4.818 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.174 -7.164 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.137 -6.348 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.609 -8.695 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.766 -8.290 -1.306 1.00 0.00 H new ATOM 637 N TYR A 41 -2.676 -7.277 4.642 1.00 0.00 N ATOM 638 CA TYR A 41 -2.612 -8.657 5.104 1.00 0.00 C ATOM 639 C TYR A 41 -3.239 -9.611 4.091 1.00 0.00 C ATOM 640 O TYR A 41 -4.461 -9.679 3.958 1.00 0.00 O ATOM 641 CB TYR A 41 -3.327 -8.792 6.449 1.00 0.00 C ATOM 642 CG TYR A 41 -2.788 -7.869 7.519 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.715 -8.250 8.314 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.356 -6.620 7.737 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.221 -7.412 9.296 1.00 0.00 C ATOM 646 CE2 TYR A 41 -2.868 -5.776 8.717 1.00 0.00 C ATOM 647 CZ TYR A 41 -1.801 -6.177 9.493 1.00 0.00 C ATOM 648 OH TYR A 41 -1.313 -5.340 10.470 1.00 0.00 O ATOM 0 H TYR A 41 -3.619 -6.893 4.586 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.561 -8.924 5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.389 -8.590 6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.242 -9.822 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.259 -9.217 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.192 -6.303 7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.385 -7.723 9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.320 -4.808 8.874 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.354 -5.503 10.591 1.00 0.00 H new ATOM 658 N ALA A 42 -2.392 -10.358 3.393 1.00 0.00 N ATOM 659 CA ALA A 42 -2.848 -11.325 2.405 1.00 0.00 C ATOM 660 C ALA A 42 -2.065 -12.618 2.567 1.00 0.00 C ATOM 661 O ALA A 42 -0.841 -12.623 2.443 1.00 0.00 O ATOM 662 CB ALA A 42 -2.697 -10.779 0.993 1.00 0.00 C ATOM 0 H ALA A 42 -1.378 -10.311 3.495 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.908 -11.522 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.045 -11.523 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.289 -9.870 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.648 -10.553 0.801 1.00 0.00 H new ATOM 668 N LYS A 43 -2.761 -13.710 2.868 1.00 0.00 N ATOM 669 CA LYS A 43 -2.089 -14.986 3.069 1.00 0.00 C ATOM 670 C LYS A 43 -0.850 -14.763 3.937 1.00 0.00 C ATOM 671 O LYS A 43 -0.675 -13.682 4.499 1.00 0.00 O ATOM 672 CB LYS A 43 -1.713 -15.605 1.715 1.00 0.00 C ATOM 673 CG LYS A 43 -0.372 -15.132 1.172 1.00 0.00 C ATOM 674 CD LYS A 43 -0.015 -15.819 -0.136 1.00 0.00 C ATOM 675 CE LYS A 43 1.491 -15.911 -0.320 1.00 0.00 C ATOM 676 NZ LYS A 43 2.003 -17.282 -0.046 1.00 0.00 N ATOM 0 H LYS A 43 -3.775 -13.737 2.977 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.756 -15.682 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.691 -16.690 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.492 -15.369 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.403 -14.053 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.407 -15.327 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.447 -16.820 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.452 -15.269 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.750 -15.624 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.982 -15.201 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.011 -17.333 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.886 -17.501 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.470 -17.971 -0.614 1.00 0.00 H new ATOM 690 N PRO A 44 0.033 -15.766 4.073 1.00 0.00 N ATOM 691 CA PRO A 44 1.250 -15.632 4.889 1.00 0.00 C ATOM 692 C PRO A 44 2.023 -14.331 4.618 1.00 0.00 C ATOM 693 O PRO A 44 2.902 -13.952 5.391 1.00 0.00 O ATOM 694 CB PRO A 44 2.076 -16.847 4.470 1.00 0.00 C ATOM 695 CG PRO A 44 1.062 -17.870 4.085 1.00 0.00 C ATOM 696 CD PRO A 44 -0.079 -17.108 3.464 1.00 0.00 C ATOM 0 HA PRO A 44 1.021 -15.590 5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.737 -16.610 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.706 -17.200 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.481 -18.589 3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.727 -18.434 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.010 -17.065 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.040 -17.571 3.687 1.00 0.00 H new ATOM 704 N TYR A 45 1.688 -13.653 3.520 1.00 0.00 N ATOM 705 CA TYR A 45 2.344 -12.403 3.151 1.00 0.00 C ATOM 706 C TYR A 45 1.770 -11.224 3.929 1.00 0.00 C ATOM 707 O TYR A 45 0.562 -10.985 3.913 1.00 0.00 O ATOM 708 CB TYR A 45 2.183 -12.143 1.653 1.00 0.00 C ATOM 709 CG TYR A 45 2.986 -13.077 0.775 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.994 -13.872 1.306 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.732 -13.164 -0.588 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.727 -14.727 0.504 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.459 -14.016 -1.396 1.00 0.00 C ATOM 714 CZ TYR A 45 4.455 -14.796 -0.847 1.00 0.00 C ATOM 715 OH TYR A 45 5.180 -15.647 -1.650 1.00 0.00 O ATOM 0 H TYR A 45 0.962 -13.952 2.869 1.00 0.00 H new ATOM 0 HA TYR A 45 3.401 -12.501 3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.129 -12.232 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.479 -11.116 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.209 -13.821 2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.953 -12.555 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.508 -15.337 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.248 -14.071 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 45 4.862 -15.575 -2.574 1.00 0.00 H new ATOM 725 N PHE A 46 2.645 -10.483 4.600 1.00 0.00 N ATOM 726 CA PHE A 46 2.231 -9.318 5.372 1.00 0.00 C ATOM 727 C PHE A 46 3.038 -8.095 4.959 1.00 0.00 C ATOM 728 O PHE A 46 4.269 -8.104 5.017 1.00 0.00 O ATOM 729 CB PHE A 46 2.401 -9.572 6.872 1.00 0.00 C ATOM 730 CG PHE A 46 2.972 -10.923 7.198 1.00 0.00 C ATOM 731 CD1 PHE A 46 4.339 -11.143 7.137 1.00 0.00 C ATOM 732 CD2 PHE A 46 2.143 -11.969 7.564 1.00 0.00 C ATOM 733 CE1 PHE A 46 4.868 -12.383 7.437 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.666 -13.213 7.865 1.00 0.00 C ATOM 735 CZ PHE A 46 4.031 -13.420 7.802 1.00 0.00 C ATOM 0 H PHE A 46 3.648 -10.669 4.625 1.00 0.00 H new ATOM 0 HA PHE A 46 1.176 -9.134 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.051 -8.803 7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.432 -9.470 7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.998 -10.336 6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.076 -11.812 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.935 -12.542 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.009 -14.022 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.443 -14.390 8.038 1.00 0.00 H new ATOM 745 N LEU A 47 2.346 -7.044 4.536 1.00 0.00 N ATOM 746 CA LEU A 47 3.013 -5.820 4.110 1.00 0.00 C ATOM 747 C LEU A 47 2.636 -4.642 5.003 1.00 0.00 C ATOM 748 O LEU A 47 1.508 -4.152 4.964 1.00 0.00 O ATOM 749 CB LEU A 47 2.667 -5.500 2.653 1.00 0.00 C ATOM 750 CG LEU A 47 3.806 -5.715 1.652 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.534 -4.958 0.362 1.00 0.00 C ATOM 752 CD2 LEU A 47 5.137 -5.283 2.249 1.00 0.00 C ATOM 0 H LEU A 47 1.328 -7.014 4.479 1.00 0.00 H new ATOM 0 HA LEU A 47 4.087 -5.983 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.820 -6.117 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.342 -4.461 2.593 1.00 0.00 H new ATOM 0 HG LEU A 47 3.861 -6.779 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.354 -5.123 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.604 -5.315 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.449 -3.893 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.932 -5.444 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.093 -4.225 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.341 -5.869 3.145 1.00 0.00 H new ATOM 764 N ARG A 48 3.599 -4.185 5.795 1.00 0.00 N ATOM 765 CA ARG A 48 3.390 -3.054 6.691 1.00 0.00 C ATOM 766 C ARG A 48 4.221 -1.864 6.227 1.00 0.00 C ATOM 767 O ARG A 48 5.450 -1.887 6.303 1.00 0.00 O ATOM 768 CB ARG A 48 3.768 -3.435 8.124 1.00 0.00 C ATOM 769 CG ARG A 48 3.682 -2.278 9.104 1.00 0.00 C ATOM 770 CD ARG A 48 5.003 -2.062 9.823 1.00 0.00 C ATOM 771 NE ARG A 48 4.892 -2.303 11.258 1.00 0.00 N ATOM 772 CZ ARG A 48 5.938 -2.461 12.061 1.00 0.00 C ATOM 773 NH1 ARG A 48 7.168 -2.408 11.569 1.00 0.00 N ATOM 774 NH2 ARG A 48 5.755 -2.675 13.356 1.00 0.00 N ATOM 0 H ARG A 48 4.537 -4.583 5.835 1.00 0.00 H new ATOM 0 HA ARG A 48 2.335 -2.779 6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.112 -4.237 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.784 -3.830 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.402 -1.369 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.897 -2.475 9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.758 -2.726 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.346 -1.041 9.653 1.00 0.00 H new ATOM 0 HE ARG A 48 3.959 -2.353 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.312 -2.246 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.970 -2.530 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.810 -2.719 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.559 -2.796 13.972 1.00 0.00 H new ATOM 788 N LEU A 49 3.549 -0.833 5.726 1.00 0.00 N ATOM 789 CA LEU A 49 4.240 0.352 5.230 1.00 0.00 C ATOM 790 C LEU A 49 3.711 1.629 5.874 1.00 0.00 C ATOM 791 O LEU A 49 2.503 1.862 5.921 1.00 0.00 O ATOM 792 CB LEU A 49 4.095 0.437 3.710 1.00 0.00 C ATOM 793 CG LEU A 49 4.329 -0.881 2.968 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.243 -0.673 1.464 1.00 0.00 C ATOM 795 CD2 LEU A 49 5.675 -1.475 3.352 1.00 0.00 C ATOM 0 H LEU A 49 2.532 -0.793 5.653 1.00 0.00 H new ATOM 0 HA LEU A 49 5.293 0.259 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.094 0.798 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.798 1.180 3.333 1.00 0.00 H new ATOM 0 HG LEU A 49 3.548 -1.583 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.412 -1.622 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.254 -0.294 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.001 0.046 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.826 -2.412 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.469 -0.776 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.696 -1.664 4.425 1.00 0.00 H new ATOM 807 N THR A 50 4.631 2.459 6.361 1.00 0.00 N ATOM 808 CA THR A 50 4.273 3.723 6.993 1.00 0.00 C ATOM 809 C THR A 50 4.570 4.891 6.057 1.00 0.00 C ATOM 810 O THR A 50 5.726 5.156 5.727 1.00 0.00 O ATOM 811 CB THR A 50 5.039 3.931 8.312 1.00 0.00 C ATOM 812 OG1 THR A 50 4.735 2.898 9.261 1.00 0.00 O ATOM 813 CG2 THR A 50 4.696 5.277 8.932 1.00 0.00 C ATOM 0 H THR A 50 5.634 2.276 6.329 1.00 0.00 H new ATOM 0 HA THR A 50 3.205 3.685 7.209 1.00 0.00 H new ATOM 0 HB THR A 50 6.101 3.897 8.071 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.237 3.055 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.250 5.401 9.863 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.966 6.075 8.241 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.626 5.321 9.137 1.00 0.00 H new ATOM 821 N LEU A 51 3.519 5.576 5.620 1.00 0.00 N ATOM 822 CA LEU A 51 3.667 6.704 4.706 1.00 0.00 C ATOM 823 C LEU A 51 4.046 7.984 5.446 1.00 0.00 C ATOM 824 O LEU A 51 3.636 8.203 6.585 1.00 0.00 O ATOM 825 CB LEU A 51 2.371 6.920 3.926 1.00 0.00 C ATOM 826 CG LEU A 51 1.557 5.653 3.664 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.282 5.983 2.906 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.390 4.637 2.898 1.00 0.00 C ATOM 0 H LEU A 51 2.555 5.370 5.883 1.00 0.00 H new ATOM 0 HA LEU A 51 4.475 6.466 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.748 7.627 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.613 7.383 2.969 1.00 0.00 H new ATOM 0 HG LEU A 51 1.279 5.217 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.283 5.068 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.322 6.675 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.535 6.443 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.796 3.740 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.698 5.064 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.273 4.377 3.481 1.00 0.00 H new ATOM 840 N PRO A 52 4.837 8.852 4.790 1.00 0.00 N ATOM 841 CA PRO A 52 5.278 10.126 5.369 1.00 0.00 C ATOM 842 C PRO A 52 4.113 11.081 5.614 1.00 0.00 C ATOM 843 O PRO A 52 4.232 12.043 6.374 1.00 0.00 O ATOM 844 CB PRO A 52 6.220 10.709 4.306 1.00 0.00 C ATOM 845 CG PRO A 52 6.548 9.572 3.398 1.00 0.00 C ATOM 846 CD PRO A 52 5.359 8.658 3.431 1.00 0.00 C ATOM 0 HA PRO A 52 5.750 9.982 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.741 11.522 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.121 11.119 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.740 9.925 2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.447 9.054 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.623 8.925 2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.641 7.621 3.250 1.00 0.00 H new ATOM 854 N GLY A 53 2.986 10.806 4.965 1.00 0.00 N ATOM 855 CA GLY A 53 1.811 11.644 5.121 1.00 0.00 C ATOM 856 C GLY A 53 0.540 10.827 5.229 1.00 0.00 C ATOM 857 O GLY A 53 0.344 9.872 4.477 1.00 0.00 O ATOM 0 H GLY A 53 2.865 10.015 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.922 12.261 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.734 12.322 4.271 1.00 0.00 H new ATOM 861 N ARG A 54 -0.319 11.186 6.179 1.00 0.00 N ATOM 862 CA ARG A 54 -1.565 10.462 6.400 1.00 0.00 C ATOM 863 C ARG A 54 -2.501 10.564 5.200 1.00 0.00 C ATOM 864 O ARG A 54 -2.335 11.423 4.335 1.00 0.00 O ATOM 865 CB ARG A 54 -2.267 10.999 7.649 1.00 0.00 C ATOM 866 CG ARG A 54 -2.234 12.514 7.760 1.00 0.00 C ATOM 867 CD ARG A 54 -1.395 12.968 8.943 1.00 0.00 C ATOM 868 NE ARG A 54 -0.259 13.789 8.528 1.00 0.00 N ATOM 869 CZ ARG A 54 0.577 14.374 9.378 1.00 0.00 C ATOM 870 NH1 ARG A 54 0.392 14.246 10.685 1.00 0.00 N ATOM 871 NH2 ARG A 54 1.595 15.091 8.924 1.00 0.00 N ATOM 0 H ARG A 54 -0.174 11.975 6.808 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.315 9.410 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.305 10.666 7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.798 10.568 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.829 12.938 6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.250 12.894 7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.019 13.536 9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.032 12.095 9.486 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.099 13.920 7.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.393 13.698 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.034 14.695 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.738 15.195 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.235 15.539 9.579 1.00 0.00 H new ATOM 885 N ILE A 55 -3.489 9.675 5.169 1.00 0.00 N ATOM 886 CA ILE A 55 -4.474 9.640 4.095 1.00 0.00 C ATOM 887 C ILE A 55 -5.881 9.771 4.668 1.00 0.00 C ATOM 888 O ILE A 55 -6.241 9.062 5.607 1.00 0.00 O ATOM 889 CB ILE A 55 -4.377 8.329 3.291 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.998 8.209 2.637 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.476 8.263 2.243 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.773 9.199 1.515 1.00 0.00 C ATOM 0 H ILE A 55 -3.629 8.962 5.885 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.266 10.477 3.428 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.509 7.491 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.230 8.353 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.876 7.198 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.391 7.330 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.449 8.306 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.377 9.105 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.776 9.056 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.518 9.041 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.863 10.214 1.902 1.00 0.00 H new ATOM 904 N VAL A 56 -6.668 10.693 4.121 1.00 0.00 N ATOM 905 CA VAL A 56 -8.025 10.913 4.617 1.00 0.00 C ATOM 906 C VAL A 56 -8.835 9.623 4.623 1.00 0.00 C ATOM 907 O VAL A 56 -8.604 8.726 3.811 1.00 0.00 O ATOM 908 CB VAL A 56 -8.770 11.982 3.796 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.941 11.532 2.358 1.00 0.00 C ATOM 910 CG2 VAL A 56 -10.117 12.301 4.428 1.00 0.00 C ATOM 0 H VAL A 56 -6.395 11.294 3.343 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.922 11.271 5.641 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.171 12.892 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.470 12.302 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.961 11.364 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.515 10.606 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.628 13.058 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.725 11.397 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.964 12.676 5.440 1.00 0.00 H new ATOM 920 N GLU A 57 -9.780 9.537 5.553 1.00 0.00 N ATOM 921 CA GLU A 57 -10.625 8.356 5.680 1.00 0.00 C ATOM 922 C GLU A 57 -12.049 8.643 5.217 1.00 0.00 C ATOM 923 O GLU A 57 -12.723 9.522 5.753 1.00 0.00 O ATOM 924 CB GLU A 57 -10.641 7.875 7.132 1.00 0.00 C ATOM 925 CG GLU A 57 -9.313 8.055 7.848 1.00 0.00 C ATOM 926 CD GLU A 57 -9.160 7.123 9.035 1.00 0.00 C ATOM 927 OE1 GLU A 57 -10.191 6.631 9.540 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.009 6.887 9.460 1.00 0.00 O ATOM 0 H GLU A 57 -9.980 10.273 6.231 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.209 7.576 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.414 8.417 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.916 6.820 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.499 7.879 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.224 9.087 8.187 1.00 0.00 H new ATOM 935 N ASN A 58 -12.503 7.886 4.224 1.00 0.00 N ATOM 936 CA ASN A 58 -13.850 8.046 3.691 1.00 0.00 C ATOM 937 C ASN A 58 -14.339 6.747 3.063 1.00 0.00 C ATOM 938 O ASN A 58 -15.499 6.366 3.218 1.00 0.00 O ATOM 939 CB ASN A 58 -13.890 9.174 2.659 1.00 0.00 C ATOM 940 CG ASN A 58 -15.296 9.449 2.162 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.644 9.114 1.030 1.00 0.00 O ATOM 942 ND2 ASN A 58 -16.115 10.059 3.011 1.00 0.00 N ATOM 0 H ASN A 58 -11.956 7.154 3.771 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.512 8.304 4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.479 10.082 3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.253 8.913 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.074 10.267 2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.785 10.319 3.940 1.00 0.00 H new ATOM 949 N GLY A 59 -13.444 6.067 2.353 1.00 0.00 N ATOM 950 CA GLY A 59 -13.801 4.816 1.715 1.00 0.00 C ATOM 951 C GLY A 59 -13.824 4.918 0.203 1.00 0.00 C ATOM 952 O GLY A 59 -13.718 3.910 -0.495 1.00 0.00 O ATOM 0 H GLY A 59 -12.478 6.361 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.090 4.045 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.782 4.499 2.069 1.00 0.00 H new ATOM 956 N SER A 60 -13.961 6.139 -0.307 1.00 0.00 N ATOM 957 CA SER A 60 -13.995 6.364 -1.747 1.00 0.00 C ATOM 958 C SER A 60 -12.726 5.836 -2.406 1.00 0.00 C ATOM 959 O SER A 60 -12.773 4.882 -3.183 1.00 0.00 O ATOM 960 CB SER A 60 -14.158 7.854 -2.049 1.00 0.00 C ATOM 961 OG SER A 60 -15.208 8.076 -2.975 1.00 0.00 O ATOM 0 H SER A 60 -14.050 6.985 0.255 1.00 0.00 H new ATOM 0 HA SER A 60 -14.849 5.824 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.363 8.395 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.225 8.251 -2.450 1.00 0.00 H new ATOM 0 HG SER A 60 -15.292 9.037 -3.150 1.00 0.00 H new ATOM 967 N GLU A 61 -11.596 6.460 -2.077 1.00 0.00 N ATOM 968 CA GLU A 61 -10.297 6.061 -2.618 1.00 0.00 C ATOM 969 C GLU A 61 -10.448 5.419 -3.999 1.00 0.00 C ATOM 970 O GLU A 61 -11.322 5.803 -4.776 1.00 0.00 O ATOM 971 CB GLU A 61 -9.610 5.093 -1.652 1.00 0.00 C ATOM 972 CG GLU A 61 -10.314 3.751 -1.539 1.00 0.00 C ATOM 973 CD GLU A 61 -9.654 2.827 -0.534 1.00 0.00 C ATOM 974 OE1 GLU A 61 -8.907 3.328 0.332 1.00 0.00 O ATOM 975 OE2 GLU A 61 -9.886 1.602 -0.614 1.00 0.00 O ATOM 0 H GLU A 61 -11.554 7.250 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.681 6.953 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.584 4.930 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.559 5.552 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.352 3.913 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.327 3.269 -2.516 1.00 0.00 H new ATOM 982 N GLN A 62 -9.596 4.441 -4.301 1.00 0.00 N ATOM 983 CA GLN A 62 -9.648 3.751 -5.585 1.00 0.00 C ATOM 984 C GLN A 62 -8.784 2.495 -5.552 1.00 0.00 C ATOM 985 O GLN A 62 -7.751 2.464 -4.889 1.00 0.00 O ATOM 986 CB GLN A 62 -9.182 4.681 -6.707 1.00 0.00 C ATOM 987 CG GLN A 62 -10.321 5.387 -7.425 1.00 0.00 C ATOM 988 CD GLN A 62 -10.347 5.087 -8.910 1.00 0.00 C ATOM 989 OE1 GLN A 62 -9.900 5.893 -9.726 1.00 0.00 O ATOM 990 NE2 GLN A 62 -10.875 3.923 -9.271 1.00 0.00 N ATOM 0 H GLN A 62 -8.863 4.110 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.680 3.458 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.507 5.429 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.609 4.103 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.269 5.085 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.228 6.463 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.234 3.284 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.921 3.668 -10.258 1.00 0.00 H new ATOM 999 N GLY A 63 -9.212 1.458 -6.264 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.455 0.220 -6.285 1.00 0.00 C ATOM 1001 C GLY A 63 -8.686 -0.591 -7.544 1.00 0.00 C ATOM 1002 O GLY A 63 -9.787 -0.600 -8.093 1.00 0.00 O ATOM 0 H GLY A 63 -10.065 1.452 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.393 0.448 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.726 -0.381 -5.417 1.00 0.00 H new ATOM 1006 N SER A 64 -7.644 -1.280 -7.997 1.00 0.00 N ATOM 1007 CA SER A 64 -7.732 -2.106 -9.195 1.00 0.00 C ATOM 1008 C SER A 64 -6.897 -3.372 -9.038 1.00 0.00 C ATOM 1009 O SER A 64 -5.668 -3.318 -9.007 1.00 0.00 O ATOM 1010 CB SER A 64 -7.265 -1.320 -10.423 1.00 0.00 C ATOM 1011 OG SER A 64 -8.181 -1.460 -11.494 1.00 0.00 O ATOM 0 H SER A 64 -6.727 -1.282 -7.551 1.00 0.00 H new ATOM 0 HA SER A 64 -8.775 -2.391 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.159 -0.266 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.281 -1.673 -10.733 1.00 0.00 H new ATOM 0 HG SER A 64 -7.862 -0.948 -12.266 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.575 -4.510 -8.930 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.899 -5.792 -8.768 1.00 0.00 C ATOM 1019 C TYR A 65 -6.709 -6.486 -10.112 1.00 0.00 C ATOM 1020 O TYR A 65 -7.676 -6.920 -10.741 1.00 0.00 O ATOM 1021 CB TYR A 65 -7.695 -6.693 -7.824 1.00 0.00 C ATOM 1022 CG TYR A 65 -7.465 -6.393 -6.360 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -6.229 -6.622 -5.772 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -8.484 -5.882 -5.568 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -6.014 -6.350 -4.434 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -8.278 -5.605 -4.230 1.00 0.00 C ATOM 1027 CZ TYR A 65 -7.042 -5.842 -3.668 1.00 0.00 C ATOM 1028 OH TYR A 65 -6.833 -5.571 -2.335 1.00 0.00 O ATOM 0 H TYR A 65 -8.593 -4.570 -8.952 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.915 -5.602 -8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.757 -6.588 -8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.431 -7.732 -8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.422 -7.019 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.454 -5.698 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.046 -6.534 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.081 -5.205 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.184 -4.842 -2.247 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.458 -6.591 -10.546 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.142 -7.238 -11.814 1.00 0.00 C ATOM 1040 C ASP A 66 -4.468 -8.586 -11.583 1.00 0.00 C ATOM 1041 O ASP A 66 -3.338 -8.652 -11.098 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.241 -6.338 -12.660 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.986 -5.693 -13.811 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.340 -6.414 -14.768 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.220 -4.467 -13.755 1.00 0.00 O ATOM 0 H ASP A 66 -4.647 -6.237 -10.039 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.076 -7.408 -12.350 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.812 -5.561 -12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.410 -6.925 -13.052 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.170 -9.659 -11.933 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.640 -11.006 -11.766 1.00 0.00 C ATOM 1052 C ALA A 67 -3.704 -11.368 -12.911 1.00 0.00 C ATOM 1053 O ALA A 67 -2.652 -11.972 -12.701 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.765 -12.026 -11.665 1.00 0.00 C ATOM 0 H ALA A 67 -6.107 -9.621 -12.334 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.072 -11.025 -10.836 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.342 -13.023 -11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.395 -11.790 -10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.365 -11.997 -12.574 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.090 -10.989 -14.126 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.285 -11.268 -15.304 1.00 0.00 C ATOM 1062 C ASP A 68 -1.888 -10.679 -15.149 1.00 0.00 C ATOM 1063 O ASP A 68 -0.886 -11.373 -15.323 1.00 0.00 O ATOM 1064 CB ASP A 68 -3.960 -10.692 -16.548 1.00 0.00 C ATOM 1065 CG ASP A 68 -5.234 -11.430 -16.914 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -5.139 -12.603 -17.334 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -6.324 -10.836 -16.783 1.00 0.00 O ATOM 0 H ASP A 68 -4.957 -10.487 -14.317 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.196 -12.349 -15.415 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.190 -9.640 -16.378 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.265 -10.735 -17.387 1.00 0.00 H new ATOM 1072 N LYS A 69 -1.830 -9.393 -14.823 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.561 -8.703 -14.644 1.00 0.00 C ATOM 1074 C LYS A 69 0.017 -8.974 -13.260 1.00 0.00 C ATOM 1075 O LYS A 69 1.217 -8.810 -13.034 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.749 -7.198 -14.835 1.00 0.00 C ATOM 1077 CG LYS A 69 0.265 -6.567 -15.777 1.00 0.00 C ATOM 1078 CD LYS A 69 0.732 -5.207 -15.275 1.00 0.00 C ATOM 1079 CE LYS A 69 -0.387 -4.450 -14.574 1.00 0.00 C ATOM 1080 NZ LYS A 69 -0.444 -3.024 -14.998 1.00 0.00 N ATOM 0 H LYS A 69 -2.651 -8.806 -14.677 1.00 0.00 H new ATOM 0 HA LYS A 69 0.137 -9.080 -15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.752 -7.013 -15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.684 -6.707 -13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.124 -7.230 -15.884 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.178 -6.457 -16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.567 -5.340 -14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.101 -4.617 -16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.341 -4.931 -14.790 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.240 -4.502 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.219 -2.544 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.457 -2.558 -14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.610 -2.973 -16.023 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.843 -9.378 -12.331 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.393 -9.652 -10.979 1.00 0.00 C ATOM 1096 C GLY A 70 0.082 -8.394 -10.281 1.00 0.00 C ATOM 1097 O GLY A 70 1.254 -8.276 -9.926 1.00 0.00 O ATOM 0 H GLY A 70 -1.841 -9.520 -12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.207 -10.100 -10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.417 -10.381 -11.006 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.834 -7.449 -10.091 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.504 -6.188 -9.439 1.00 0.00 C ATOM 1103 C ILE A 71 -1.746 -5.509 -8.869 1.00 0.00 C ATOM 1104 O ILE A 71 -2.745 -5.328 -9.566 1.00 0.00 O ATOM 1105 CB ILE A 71 0.194 -5.221 -10.415 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.577 -5.753 -10.794 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.306 -3.833 -9.801 1.00 0.00 C ATOM 1108 CD1 ILE A 71 2.400 -4.774 -11.604 1.00 0.00 C ATOM 0 H ILE A 71 -1.809 -7.533 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 71 0.175 -6.428 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.408 -5.148 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.121 -6.008 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.459 -6.675 -11.364 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.801 -3.163 -10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.691 -3.452 -9.578 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.888 -3.888 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.368 -5.218 -11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.877 -4.538 -12.531 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.549 -3.860 -11.028 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.668 -5.133 -7.597 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.774 -4.468 -6.919 1.00 0.00 C ATOM 1122 C PHE A 72 -2.470 -2.983 -6.730 1.00 0.00 C ATOM 1123 O PHE A 72 -1.605 -2.614 -5.935 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.036 -5.132 -5.565 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.868 -4.299 -4.633 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.864 -3.470 -5.122 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.653 -4.346 -3.265 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.631 -2.703 -4.265 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.414 -3.581 -2.403 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.404 -2.760 -2.903 1.00 0.00 C ATOM 0 H PHE A 72 -0.845 -5.279 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.668 -4.561 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.536 -6.086 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.081 -5.351 -5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.044 -3.422 -6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.881 -4.989 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.405 -2.061 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.234 -3.625 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.001 -2.162 -2.230 1.00 0.00 H new ATOM 1140 N THR A 73 -3.183 -2.138 -7.469 1.00 0.00 N ATOM 1141 CA THR A 73 -2.984 -0.694 -7.387 1.00 0.00 C ATOM 1142 C THR A 73 -4.198 0.003 -6.780 1.00 0.00 C ATOM 1143 O THR A 73 -5.303 -0.075 -7.318 1.00 0.00 O ATOM 1144 CB THR A 73 -2.703 -0.086 -8.775 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.857 -1.062 -9.816 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.292 0.480 -8.843 1.00 0.00 C ATOM 0 H THR A 73 -3.903 -2.428 -8.131 1.00 0.00 H new ATOM 0 HA THR A 73 -2.120 -0.535 -6.742 1.00 0.00 H new ATOM 0 HB THR A 73 -3.429 0.714 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.674 -0.646 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.117 0.903 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.176 1.259 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.571 -0.316 -8.657 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.986 0.682 -5.654 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.069 1.387 -4.974 1.00 0.00 C ATOM 1156 C ILE A 74 -4.677 2.826 -4.636 1.00 0.00 C ATOM 1157 O ILE A 74 -3.720 3.064 -3.899 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.480 0.652 -3.679 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.375 1.534 -2.800 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.245 0.215 -2.906 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.764 0.968 -2.595 1.00 0.00 C ATOM 0 H ILE A 74 -3.078 0.758 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.915 1.407 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.052 -0.232 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.899 1.668 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.457 2.522 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.549 -0.302 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.649 -0.457 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.651 1.091 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.342 1.643 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.259 0.860 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.692 -0.007 -2.113 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.434 3.779 -5.181 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.187 5.200 -4.942 1.00 0.00 C ATOM 1175 C ARG A 75 -5.879 5.658 -3.663 1.00 0.00 C ATOM 1176 O ARG A 75 -6.948 5.156 -3.309 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.682 6.026 -6.130 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.267 5.460 -7.479 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.545 6.443 -8.604 1.00 0.00 C ATOM 1180 NE ARG A 75 -4.502 7.459 -8.715 1.00 0.00 N ATOM 1181 CZ ARG A 75 -4.538 8.458 -9.589 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -5.562 8.576 -10.422 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -3.550 9.342 -9.628 1.00 0.00 N ATOM 0 H ARG A 75 -6.227 3.590 -5.794 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.113 5.349 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.769 6.089 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.301 7.043 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.205 5.216 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.804 4.530 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.625 5.902 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.506 6.928 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.701 7.398 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.324 7.899 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.588 9.344 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.762 9.255 -8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.578 10.109 -10.300 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.255 6.602 -2.962 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.805 7.110 -1.712 1.00 0.00 C ATOM 1199 C LEU A 76 -5.715 8.638 -1.621 1.00 0.00 C ATOM 1200 O LEU A 76 -4.667 9.219 -1.894 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.060 6.474 -0.540 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.865 4.959 -0.645 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.768 4.494 0.299 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.169 4.234 -0.349 1.00 0.00 C ATOM 0 H LEU A 76 -4.371 7.028 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.862 6.845 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.082 6.946 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.604 6.693 0.379 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.562 4.720 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.644 3.415 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.832 4.989 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.040 4.744 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.013 3.158 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.501 4.480 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.929 4.544 -1.066 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.814 9.310 -1.219 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.845 10.771 -1.077 1.00 0.00 C ATOM 1218 C PRO A 77 -6.070 11.237 0.159 1.00 0.00 C ATOM 1219 O PRO A 77 -5.982 10.521 1.159 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.341 11.101 -0.938 1.00 0.00 C ATOM 1221 CG PRO A 77 -9.073 9.816 -1.162 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.102 8.710 -0.861 1.00 0.00 C ATOM 0 HA PRO A 77 -6.375 11.274 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.560 11.507 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.643 11.854 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.947 9.750 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.431 9.748 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.135 8.416 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.310 7.816 -1.449 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.505 12.440 0.093 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.729 12.975 1.209 1.00 0.00 C ATOM 1232 C LYS A 78 -5.590 13.774 2.181 1.00 0.00 C ATOM 1233 O LYS A 78 -6.646 14.293 1.818 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.595 13.859 0.689 1.00 0.00 C ATOM 1235 CG LYS A 78 -3.186 13.548 -0.740 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.899 14.263 -1.116 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.846 13.287 -1.612 1.00 0.00 C ATOM 1238 NZ LYS A 78 -0.419 12.339 -0.547 1.00 0.00 N ATOM 0 H LYS A 78 -5.569 13.059 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.318 12.122 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.902 14.903 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.728 13.743 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.054 12.472 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.983 13.847 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.105 15.002 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.516 14.805 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.242 12.726 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.021 13.841 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.201 11.415 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.428 12.710 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.186 12.228 0.147 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.112 13.876 3.419 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.809 14.619 4.460 1.00 0.00 C ATOM 1254 C GLU A 79 -5.342 16.072 4.474 1.00 0.00 C ATOM 1255 O GLU A 79 -6.033 16.955 4.981 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.562 13.974 5.826 1.00 0.00 C ATOM 1257 CG GLU A 79 -6.264 14.683 6.974 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.330 15.574 7.770 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -4.483 15.035 8.513 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.445 16.812 7.651 1.00 0.00 O ATOM 0 H GLU A 79 -4.238 13.449 3.725 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.878 14.596 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.895 12.937 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.490 13.958 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.083 15.284 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.705 13.940 7.639 1.00 0.00 H new ATOM 1267 N THR A 80 -4.165 16.309 3.899 1.00 0.00 N ATOM 1268 CA THR A 80 -3.597 17.649 3.828 1.00 0.00 C ATOM 1269 C THR A 80 -3.118 17.955 2.411 1.00 0.00 C ATOM 1270 O THR A 80 -1.966 17.692 2.063 1.00 0.00 O ATOM 1271 CB THR A 80 -2.418 17.815 4.809 1.00 0.00 C ATOM 1272 OG1 THR A 80 -2.860 17.739 6.170 1.00 0.00 O ATOM 1273 CG2 THR A 80 -1.719 19.152 4.608 1.00 0.00 C ATOM 0 H THR A 80 -3.585 15.585 3.474 1.00 0.00 H new ATOM 0 HA THR A 80 -4.385 18.349 4.107 1.00 0.00 H new ATOM 0 HB THR A 80 -1.723 17.001 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.787 17.423 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.893 19.240 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.335 19.212 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.428 19.962 4.777 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.005 18.511 1.572 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.683 18.851 0.187 1.00 0.00 C ATOM 1283 C PRO A 81 -2.301 19.479 0.046 1.00 0.00 C ATOM 1284 O PRO A 81 -1.884 20.281 0.881 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.765 19.862 -0.182 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.938 19.512 0.672 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.397 18.849 1.916 1.00 0.00 C ATOM 0 HA PRO A 81 -3.659 17.970 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.431 20.882 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.017 19.800 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.509 20.405 0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.615 18.842 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.443 19.518 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.971 17.959 2.174 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.597 19.119 -1.025 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.276 19.669 -1.262 1.00 0.00 C ATOM 1297 C GLY A 82 0.833 18.844 -0.636 1.00 0.00 C ATOM 1298 O GLY A 82 2.012 19.135 -0.834 1.00 0.00 O ATOM 0 H GLY A 82 -1.919 18.457 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.106 19.740 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.235 20.683 -0.865 1.00 0.00 H new ATOM 1302 N GLN A 83 0.462 17.810 0.113 1.00 0.00 N ATOM 1303 CA GLN A 83 1.447 16.949 0.753 1.00 0.00 C ATOM 1304 C GLN A 83 1.995 15.938 -0.245 1.00 0.00 C ATOM 1305 O GLN A 83 1.236 15.281 -0.956 1.00 0.00 O ATOM 1306 CB GLN A 83 0.832 16.221 1.947 1.00 0.00 C ATOM 1307 CG GLN A 83 1.863 15.705 2.933 1.00 0.00 C ATOM 1308 CD GLN A 83 1.249 15.293 4.258 1.00 0.00 C ATOM 1309 OE1 GLN A 83 1.650 15.778 5.316 1.00 0.00 O ATOM 1310 NE2 GLN A 83 0.272 14.396 4.205 1.00 0.00 N ATOM 0 H GLN A 83 -0.508 17.550 0.290 1.00 0.00 H new ATOM 0 HA GLN A 83 2.265 17.574 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.152 16.897 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.235 15.384 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.382 14.852 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.611 16.478 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.028 14.021 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.179 14.082 5.064 1.00 0.00 H new ATOM 1319 N HIS A 84 3.315 15.821 -0.297 1.00 0.00 N ATOM 1320 CA HIS A 84 3.956 14.892 -1.215 1.00 0.00 C ATOM 1321 C HIS A 84 4.920 13.970 -0.478 1.00 0.00 C ATOM 1322 O HIS A 84 5.835 14.428 0.207 1.00 0.00 O ATOM 1323 CB HIS A 84 4.700 15.655 -2.311 1.00 0.00 C ATOM 1324 CG HIS A 84 5.559 14.781 -3.170 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.537 13.903 -2.842 1.00 0.00 N flip ATOM 1326 CD2 HIS A 84 5.461 14.746 -4.546 1.00 0.00 C flip ATOM 1327 CE1 HIS A 84 7.007 13.361 -4.013 1.00 0.00 C flip ATOM 1328 NE2 HIS A 84 6.342 13.886 -5.025 1.00 0.00 N flip ATOM 0 H HIS A 84 3.960 16.356 0.284 1.00 0.00 H new ATOM 0 HA HIS A 84 3.177 14.281 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.974 16.169 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.322 16.422 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.772 15.330 -5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.793 12.625 -4.093 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.484 13.665 -6.011 1.00 0.00 H new ATOM 1337 N PHE A 85 4.713 12.668 -0.636 1.00 0.00 N ATOM 1338 CA PHE A 85 5.561 11.675 -0.004 1.00 0.00 C ATOM 1339 C PHE A 85 6.747 11.346 -0.908 1.00 0.00 C ATOM 1340 O PHE A 85 6.640 10.515 -1.810 1.00 0.00 O ATOM 1341 CB PHE A 85 4.748 10.416 0.288 1.00 0.00 C ATOM 1342 CG PHE A 85 3.381 10.698 0.848 1.00 0.00 C ATOM 1343 CD1 PHE A 85 3.068 11.947 1.367 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.407 9.712 0.858 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.813 12.203 1.882 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.150 9.965 1.372 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.852 11.211 1.886 1.00 0.00 C ATOM 0 H PHE A 85 3.959 12.277 -1.201 1.00 0.00 H new ATOM 0 HA PHE A 85 5.943 12.074 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.643 9.840 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.299 9.793 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.815 12.727 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.633 8.734 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.583 13.179 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.400 9.188 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.130 11.410 2.290 1.00 0.00 H new ATOM 1357 N GLU A 86 7.861 12.037 -0.691 1.00 0.00 N ATOM 1358 CA GLU A 86 9.055 11.860 -1.513 1.00 0.00 C ATOM 1359 C GLU A 86 9.613 10.439 -1.461 1.00 0.00 C ATOM 1360 O GLU A 86 9.902 9.902 -0.392 1.00 0.00 O ATOM 1361 CB GLU A 86 10.140 12.844 -1.071 1.00 0.00 C ATOM 1362 CG GLU A 86 10.312 14.024 -2.011 1.00 0.00 C ATOM 1363 CD GLU A 86 11.357 13.771 -3.079 1.00 0.00 C ATOM 1364 OE1 GLU A 86 10.996 13.234 -4.147 1.00 0.00 O ATOM 1365 OE2 GLU A 86 12.537 14.107 -2.847 1.00 0.00 O ATOM 0 H GLU A 86 7.963 12.729 0.051 1.00 0.00 H new ATOM 0 HA GLU A 86 8.756 12.053 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.897 13.216 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.089 12.313 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.357 14.246 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.593 14.905 -1.434 1.00 0.00 H new ATOM 1372 N GLY A 87 9.787 9.859 -2.646 1.00 0.00 N ATOM 1373 CA GLY A 87 10.341 8.521 -2.775 1.00 0.00 C ATOM 1374 C GLY A 87 9.958 7.582 -1.648 1.00 0.00 C ATOM 1375 O GLY A 87 10.830 7.035 -0.974 1.00 0.00 O ATOM 0 H GLY A 87 9.549 10.301 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.009 8.091 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.428 8.592 -2.821 1.00 0.00 H new ATOM 1379 N LEU A 88 8.662 7.379 -1.442 1.00 0.00 N ATOM 1380 CA LEU A 88 8.200 6.483 -0.390 1.00 0.00 C ATOM 1381 C LEU A 88 8.942 5.151 -0.447 1.00 0.00 C ATOM 1382 O LEU A 88 9.005 4.422 0.544 1.00 0.00 O ATOM 1383 CB LEU A 88 6.697 6.241 -0.513 1.00 0.00 C ATOM 1384 CG LEU A 88 5.862 7.477 -0.839 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.621 7.583 -2.337 1.00 0.00 C ATOM 1386 CD2 LEU A 88 4.541 7.430 -0.088 1.00 0.00 C ATOM 0 H LEU A 88 7.918 7.819 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 88 8.406 6.958 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.528 5.494 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.336 5.816 0.423 1.00 0.00 H new ATOM 0 HG LEU A 88 6.413 8.362 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.024 8.470 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.577 7.657 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.089 6.697 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.954 8.317 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.987 6.538 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.733 7.402 0.985 1.00 0.00 H new ATOM 1398 N ASN A 89 9.501 4.831 -1.616 1.00 0.00 N ATOM 1399 CA ASN A 89 10.235 3.583 -1.799 1.00 0.00 C ATOM 1400 C ASN A 89 11.663 3.689 -1.265 1.00 0.00 C ATOM 1401 O ASN A 89 12.504 2.837 -1.555 1.00 0.00 O ATOM 1402 CB ASN A 89 10.265 3.200 -3.280 1.00 0.00 C ATOM 1403 CG ASN A 89 10.847 1.818 -3.507 1.00 0.00 C ATOM 1404 OD1 ASN A 89 11.896 1.669 -4.133 1.00 0.00 O ATOM 1405 ND2 ASN A 89 10.166 0.797 -2.997 1.00 0.00 N ATOM 0 H ASN A 89 9.458 5.420 -2.448 1.00 0.00 H new ATOM 0 HA ASN A 89 9.717 2.809 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.253 3.236 -3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.853 3.934 -3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.509 -0.156 -3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.300 0.966 -2.485 1.00 0.00 H new ATOM 1412 N MET A 90 11.931 4.725 -0.477 1.00 0.00 N ATOM 1413 CA MET A 90 13.253 4.921 0.100 1.00 0.00 C ATOM 1414 C MET A 90 13.215 4.688 1.607 1.00 0.00 C ATOM 1415 O MET A 90 14.198 4.249 2.204 1.00 0.00 O ATOM 1416 CB MET A 90 13.770 6.330 -0.207 1.00 0.00 C ATOM 1417 CG MET A 90 13.110 7.420 0.621 1.00 0.00 C ATOM 1418 SD MET A 90 14.306 8.532 1.383 1.00 0.00 S ATOM 1419 CE MET A 90 13.648 10.125 0.895 1.00 0.00 C ATOM 0 H MET A 90 11.250 5.441 -0.224 1.00 0.00 H new ATOM 0 HA MET A 90 13.934 4.198 -0.348 1.00 0.00 H new ATOM 0 HB2 MET A 90 14.846 6.357 -0.035 1.00 0.00 H new ATOM 0 HB3 MET A 90 13.611 6.543 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 90 12.437 7.996 -0.014 1.00 0.00 H new ATOM 0 HG3 MET A 90 12.500 6.961 1.399 1.00 0.00 H new ATOM 0 HE1 MET A 90 14.282 10.918 1.292 1.00 0.00 H new ATOM 0 HE2 MET A 90 13.624 10.191 -0.193 1.00 0.00 H new ATOM 0 HE3 MET A 90 12.637 10.237 1.288 1.00 0.00 H new ATOM 1429 N LEU A 91 12.067 4.978 2.215 1.00 0.00 N ATOM 1430 CA LEU A 91 11.893 4.794 3.650 1.00 0.00 C ATOM 1431 C LEU A 91 12.504 3.469 4.099 1.00 0.00 C ATOM 1432 O LEU A 91 12.685 2.558 3.293 1.00 0.00 O ATOM 1433 CB LEU A 91 10.405 4.840 4.010 1.00 0.00 C ATOM 1434 CG LEU A 91 9.824 6.245 4.180 1.00 0.00 C ATOM 1435 CD1 LEU A 91 8.363 6.170 4.594 1.00 0.00 C ATOM 1436 CD2 LEU A 91 10.630 7.035 5.200 1.00 0.00 C ATOM 0 H LEU A 91 11.244 5.341 1.734 1.00 0.00 H new ATOM 0 HA LEU A 91 12.407 5.603 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.843 4.322 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.253 4.286 4.936 1.00 0.00 H new ATOM 0 HG LEU A 91 9.883 6.762 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.966 7.178 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.795 5.642 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.280 5.636 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.203 8.032 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.603 6.522 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.663 7.118 4.862 1.00 0.00 H new ATOM 1448 N THR A 92 12.812 3.361 5.389 1.00 0.00 N ATOM 1449 CA THR A 92 13.391 2.140 5.938 1.00 0.00 C ATOM 1450 C THR A 92 12.970 1.947 7.392 1.00 0.00 C ATOM 1451 O THR A 92 12.672 2.914 8.092 1.00 0.00 O ATOM 1452 CB THR A 92 14.930 2.161 5.859 1.00 0.00 C ATOM 1453 OG1 THR A 92 15.384 2.831 4.675 1.00 0.00 O ATOM 1454 CG2 THR A 92 15.492 0.748 5.857 1.00 0.00 C ATOM 0 H THR A 92 12.670 4.105 6.073 1.00 0.00 H new ATOM 0 HA THR A 92 13.018 1.311 5.337 1.00 0.00 H new ATOM 0 HB THR A 92 15.284 2.700 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.364 2.830 4.654 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.580 0.789 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.195 0.237 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.104 0.204 4.996 1.00 0.00 H new ATOM 1462 N ALA A 93 12.959 0.698 7.849 1.00 0.00 N ATOM 1463 CA ALA A 93 12.585 0.397 9.227 1.00 0.00 C ATOM 1464 C ALA A 93 13.735 0.722 10.173 1.00 0.00 C ATOM 1465 O ALA A 93 14.776 0.067 10.148 1.00 0.00 O ATOM 1466 CB ALA A 93 12.173 -1.060 9.378 1.00 0.00 C ATOM 0 H ALA A 93 13.204 -0.118 7.288 1.00 0.00 H new ATOM 0 HA ALA A 93 11.729 1.019 9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.900 -1.255 10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.319 -1.265 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.005 -1.705 9.095 1.00 0.00 H new ATOM 1472 N LEU A 94 13.542 1.739 11.006 1.00 0.00 N ATOM 1473 CA LEU A 94 14.567 2.153 11.960 1.00 0.00 C ATOM 1474 C LEU A 94 14.027 2.165 13.386 1.00 0.00 C ATOM 1475 O LEU A 94 13.222 3.026 13.741 1.00 0.00 O ATOM 1476 CB LEU A 94 15.088 3.543 11.605 1.00 0.00 C ATOM 1477 CG LEU A 94 14.005 4.600 11.387 1.00 0.00 C ATOM 1478 CD1 LEU A 94 14.448 5.941 11.951 1.00 0.00 C ATOM 1479 CD2 LEU A 94 13.669 4.721 9.909 1.00 0.00 C ATOM 0 H LEU A 94 12.686 2.292 11.041 1.00 0.00 H new ATOM 0 HA LEU A 94 15.381 1.430 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.750 3.881 12.402 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.691 3.469 10.700 1.00 0.00 H new ATOM 0 HG LEU A 94 13.105 4.288 11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 94 13.665 6.681 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.636 5.842 13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.362 6.262 11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 94 12.896 5.478 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 94 14.562 5.010 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 94 13.307 3.762 9.538 1.00 0.00 H new ATOM 1491 N LEU A 95 14.473 1.219 14.204 1.00 0.00 N ATOM 1492 CA LEU A 95 14.027 1.149 15.588 1.00 0.00 C ATOM 1493 C LEU A 95 15.042 1.808 16.517 1.00 0.00 C ATOM 1494 O LEU A 95 16.138 1.287 16.724 1.00 0.00 O ATOM 1495 CB LEU A 95 13.804 -0.305 16.005 1.00 0.00 C ATOM 1496 CG LEU A 95 12.514 -0.937 15.481 1.00 0.00 C ATOM 1497 CD1 LEU A 95 12.253 -0.503 14.048 1.00 0.00 C ATOM 1498 CD2 LEU A 95 12.586 -2.454 15.577 1.00 0.00 C ATOM 0 H LEU A 95 15.139 0.495 13.934 1.00 0.00 H new ATOM 0 HA LEU A 95 13.083 1.688 15.667 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.649 -0.900 15.659 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.801 -0.359 17.094 1.00 0.00 H new ATOM 0 HG LEU A 95 11.685 -0.594 16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.331 -0.962 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.157 0.582 14.008 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.083 -0.817 13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.659 -2.887 15.200 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.424 -2.817 14.982 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.726 -2.746 16.618 1.00 0.00 H new ATOM 1510 N ALA A 96 14.670 2.956 17.072 1.00 0.00 N ATOM 1511 CA ALA A 96 15.551 3.684 17.976 1.00 0.00 C ATOM 1512 C ALA A 96 16.887 3.988 17.306 1.00 0.00 C ATOM 1513 O ALA A 96 17.768 3.103 17.318 1.00 0.00 O ATOM 1514 CB ALA A 96 15.778 2.904 19.263 1.00 0.00 C ATOM 1515 OXT ALA A 96 17.040 5.107 16.773 1.00 0.00 O ATOM 0 H ALA A 96 13.766 3.401 16.912 1.00 0.00 H new ATOM 0 HA ALA A 96 15.063 4.627 18.224 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.439 3.470 19.920 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.823 2.741 19.763 1.00 0.00 H new ATOM 0 HB3 ALA A 96 16.235 1.942 19.030 1.00 0.00 H new TER 1521 ALA A 96