USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 Single : A 3 THR OG1 : rot -33:sc= 0.475 USER MOD Single : A 5 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.1!) USER MOD Single : A 6 THR OG1 : rot -104:sc= 0.258 USER MOD Single : A 17 THR OG1 : rot -57:sc= 1.02 USER MOD Single : A 18 SER OG : rot -31:sc= 0.0144 USER MOD Single : A 20 TYR OH : rot 57:sc= -0.959 USER MOD Single : A 24 MET CE :methyl -143:sc= -2.9! (180deg=-5.17!) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.247) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -0.0633 (180deg=-0.542) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 32:sc= 0.892 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -53:sc= 0.00507 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.256 K(o=0.26,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 170:sc= 0.184 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00585 USER MOD Single : A 74 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.51) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 1.195 3.899 -2.645 1.00 12.03 N ATOM 29 CA THR A 3 1.425 5.338 -2.626 1.00 24.13 C ATOM 30 C THR A 3 0.929 5.991 -3.910 1.00 40.34 C ATOM 31 O THR A 3 0.773 5.328 -4.936 1.00 12.12 O ATOM 32 CB THR A 3 2.919 5.665 -2.441 1.00 3.12 C ATOM 33 OG1 THR A 3 3.722 4.671 -3.087 1.00 21.45 O ATOM 34 CG2 THR A 3 3.279 5.735 -0.964 1.00 63.44 C ATOM 0 HA THR A 3 0.865 5.737 -1.780 1.00 24.13 H new ATOM 0 HB THR A 3 3.114 6.638 -2.892 1.00 3.12 H new ATOM 0 HG1 THR A 3 3.271 3.803 -3.037 1.00 21.45 H new ATOM 0 HG21 THR A 3 4.339 5.967 -0.858 1.00 63.44 H new ATOM 0 HG22 THR A 3 2.687 6.513 -0.482 1.00 63.44 H new ATOM 0 HG23 THR A 3 3.069 4.775 -0.492 1.00 63.44 H new ATOM 42 N PHE A 4 0.683 7.296 -3.848 1.00 61.25 N ATOM 43 CA PHE A 4 0.204 8.039 -5.008 1.00 12.32 C ATOM 44 C PHE A 4 0.766 9.458 -5.014 1.00 73.04 C ATOM 45 O PHE A 4 0.580 10.214 -4.061 1.00 63.30 O ATOM 46 CB PHE A 4 -1.326 8.084 -5.015 1.00 4.43 C ATOM 47 CG PHE A 4 -1.904 8.598 -6.302 1.00 74.42 C ATOM 48 CD1 PHE A 4 -2.010 9.959 -6.536 1.00 3.24 C ATOM 49 CD2 PHE A 4 -2.344 7.718 -7.279 1.00 3.23 C ATOM 50 CE1 PHE A 4 -2.542 10.435 -7.719 1.00 65.15 C ATOM 51 CE2 PHE A 4 -2.876 8.188 -8.465 1.00 2.04 C ATOM 52 CZ PHE A 4 -2.976 9.548 -8.685 1.00 31.13 C ATOM 0 H PHE A 4 0.807 7.860 -3.007 1.00 61.25 H new ATOM 0 HA PHE A 4 0.550 7.526 -5.906 1.00 12.32 H new ATOM 0 HB2 PHE A 4 -1.712 7.082 -4.827 1.00 4.43 H new ATOM 0 HB3 PHE A 4 -1.667 8.716 -4.195 1.00 4.43 H new ATOM 0 HD1 PHE A 4 -1.673 10.657 -5.784 1.00 3.24 H new ATOM 0 HD2 PHE A 4 -2.270 6.654 -7.111 1.00 3.23 H new ATOM 0 HE1 PHE A 4 -2.618 11.499 -7.888 1.00 65.15 H new ATOM 0 HE2 PHE A 4 -3.213 7.492 -9.219 1.00 2.04 H new ATOM 0 HZ PHE A 4 -3.393 9.917 -9.610 1.00 31.13 H new ATOM 62 N GLN A 5 1.453 9.811 -6.096 1.00 20.31 N ATOM 63 CA GLN A 5 2.043 11.138 -6.226 1.00 62.31 C ATOM 64 C GLN A 5 1.705 11.753 -7.580 1.00 2.30 C ATOM 65 O GLN A 5 1.795 11.092 -8.615 1.00 51.01 O ATOM 66 CB GLN A 5 3.561 11.063 -6.051 1.00 11.50 C ATOM 67 CG GLN A 5 4.277 12.362 -6.388 1.00 75.42 C ATOM 68 CD GLN A 5 4.962 12.316 -7.740 1.00 12.23 C ATOM 69 OE1 GLN A 5 4.500 11.641 -8.660 1.00 41.44 O ATOM 70 NE2 GLN A 5 6.070 13.036 -7.866 1.00 43.32 N ATOM 0 H GLN A 5 1.615 9.197 -6.894 1.00 20.31 H new ATOM 0 HA GLN A 5 1.625 11.773 -5.445 1.00 62.31 H new ATOM 0 HB2 GLN A 5 3.787 10.790 -5.020 1.00 11.50 H new ATOM 0 HB3 GLN A 5 3.953 10.267 -6.684 1.00 11.50 H new ATOM 0 HG2 GLN A 5 3.559 13.182 -6.376 1.00 75.42 H new ATOM 0 HG3 GLN A 5 5.017 12.575 -5.617 1.00 75.42 H new ATOM 0 HE21 GLN A 5 6.417 13.581 -7.076 1.00 43.32 H new ATOM 0 HE22 GLN A 5 6.575 13.044 -8.752 1.00 43.32 H new ATOM 79 N THR A 6 1.315 13.024 -7.566 1.00 43.21 N ATOM 80 CA THR A 6 0.962 13.729 -8.792 1.00 22.10 C ATOM 81 C THR A 6 1.502 15.154 -8.782 1.00 11.54 C ATOM 82 O THR A 6 1.253 15.916 -7.847 1.00 35.00 O ATOM 83 CB THR A 6 -0.564 13.771 -8.996 1.00 0.21 C ATOM 84 OG1 THR A 6 -0.877 14.471 -10.206 1.00 33.54 O ATOM 85 CG2 THR A 6 -1.248 14.451 -7.819 1.00 74.35 C ATOM 0 H THR A 6 1.236 13.586 -6.719 1.00 43.21 H new ATOM 0 HA THR A 6 1.416 13.178 -9.616 1.00 22.10 H new ATOM 0 HB THR A 6 -0.928 12.746 -9.065 1.00 0.21 H new ATOM 0 HG1 THR A 6 -1.212 15.366 -9.989 1.00 33.54 H new ATOM 0 HG21 THR A 6 -2.325 14.469 -7.985 1.00 74.35 H new ATOM 0 HG22 THR A 6 -1.031 13.900 -6.904 1.00 74.35 H new ATOM 0 HG23 THR A 6 -0.878 15.472 -7.724 1.00 74.35 H new ATOM 93 N ASP A 7 2.242 15.510 -9.826 1.00 75.54 N ATOM 94 CA ASP A 7 2.815 16.846 -9.938 1.00 63.43 C ATOM 95 C ASP A 7 1.914 17.757 -10.766 1.00 33.44 C ATOM 96 O ASP A 7 2.394 18.584 -11.540 1.00 15.02 O ATOM 97 CB ASP A 7 4.207 16.775 -10.569 1.00 52.02 C ATOM 98 CG ASP A 7 4.156 16.437 -12.046 1.00 43.33 C ATOM 99 OD1 ASP A 7 3.499 15.437 -12.405 1.00 5.15 O ATOM 100 OD2 ASP A 7 4.773 17.174 -12.844 1.00 71.32 O ATOM 0 H ASP A 7 2.459 14.891 -10.607 1.00 75.54 H new ATOM 0 HA ASP A 7 2.899 17.264 -8.935 1.00 63.43 H new ATOM 0 HB2 ASP A 7 4.713 17.731 -10.435 1.00 52.02 H new ATOM 0 HB3 ASP A 7 4.801 16.025 -10.048 1.00 52.02 H new ATOM 105 N ALA A 8 0.605 17.597 -10.597 1.00 1.34 N ATOM 106 CA ALA A 8 -0.363 18.406 -11.327 1.00 33.23 C ATOM 107 C ALA A 8 -1.766 18.235 -10.752 1.00 65.44 C ATOM 108 O ALA A 8 -2.012 17.335 -9.948 1.00 42.25 O ATOM 109 CB ALA A 8 -0.348 18.042 -12.804 1.00 21.20 C ATOM 0 H ALA A 8 0.191 16.915 -9.961 1.00 1.34 H new ATOM 0 HA ALA A 8 -0.079 19.453 -11.219 1.00 33.23 H new ATOM 0 HB1 ALA A 8 -1.076 18.654 -13.337 1.00 21.20 H new ATOM 0 HB2 ALA A 8 0.646 18.222 -13.213 1.00 21.20 H new ATOM 0 HB3 ALA A 8 -0.604 16.989 -12.922 1.00 21.20 H new ATOM 115 N ASP A 9 -2.680 19.103 -11.169 1.00 75.21 N ATOM 116 CA ASP A 9 -4.059 19.047 -10.696 1.00 42.21 C ATOM 117 C ASP A 9 -4.643 17.651 -10.886 1.00 63.32 C ATOM 118 O ASP A 9 -4.138 16.859 -11.682 1.00 71.43 O ATOM 119 CB ASP A 9 -4.916 20.077 -11.434 1.00 62.33 C ATOM 120 CG ASP A 9 -4.283 21.454 -11.447 1.00 12.42 C ATOM 121 OD1 ASP A 9 -3.387 21.703 -10.614 1.00 63.30 O ATOM 122 OD2 ASP A 9 -4.685 22.285 -12.289 1.00 34.31 O ATOM 0 H ASP A 9 -2.492 19.854 -11.833 1.00 75.21 H new ATOM 0 HA ASP A 9 -4.061 19.280 -9.631 1.00 42.21 H new ATOM 0 HB2 ASP A 9 -5.076 19.744 -12.460 1.00 62.33 H new ATOM 0 HB3 ASP A 9 -5.896 20.135 -10.961 1.00 62.33 H new ATOM 127 N PHE A 10 -5.708 17.355 -10.149 1.00 53.13 N ATOM 128 CA PHE A 10 -6.360 16.053 -10.235 1.00 41.31 C ATOM 129 C PHE A 10 -7.843 16.164 -9.894 1.00 20.12 C ATOM 130 O PHE A 10 -8.267 17.097 -9.210 1.00 24.44 O ATOM 131 CB PHE A 10 -5.681 15.057 -9.293 1.00 72.42 C ATOM 132 CG PHE A 10 -5.446 15.601 -7.913 1.00 64.22 C ATOM 133 CD1 PHE A 10 -6.465 15.612 -6.975 1.00 71.21 C ATOM 134 CD2 PHE A 10 -4.205 16.102 -7.554 1.00 64.14 C ATOM 135 CE1 PHE A 10 -6.252 16.111 -5.704 1.00 45.52 C ATOM 136 CE2 PHE A 10 -3.985 16.602 -6.285 1.00 50.40 C ATOM 137 CZ PHE A 10 -5.010 16.608 -5.359 1.00 50.42 C ATOM 0 H PHE A 10 -6.138 17.999 -9.485 1.00 53.13 H new ATOM 0 HA PHE A 10 -6.267 15.694 -11.260 1.00 41.31 H new ATOM 0 HB2 PHE A 10 -6.296 14.160 -9.221 1.00 72.42 H new ATOM 0 HB3 PHE A 10 -4.726 14.755 -9.723 1.00 72.42 H new ATOM 0 HD1 PHE A 10 -7.438 15.226 -7.240 1.00 71.21 H new ATOM 0 HD2 PHE A 10 -3.400 16.102 -8.274 1.00 64.14 H new ATOM 0 HE1 PHE A 10 -7.055 16.112 -4.982 1.00 45.52 H new ATOM 0 HE2 PHE A 10 -3.012 16.988 -6.017 1.00 50.40 H new ATOM 0 HZ PHE A 10 -4.841 17.000 -4.367 1.00 50.42 H new ATOM 147 N LEU A 11 -8.628 15.206 -10.375 1.00 44.45 N ATOM 148 CA LEU A 11 -10.064 15.195 -10.123 1.00 33.03 C ATOM 149 C LEU A 11 -10.419 14.181 -9.040 1.00 63.52 C ATOM 150 O LEU A 11 -9.759 13.150 -8.900 1.00 60.22 O ATOM 151 CB LEU A 11 -10.826 14.872 -11.409 1.00 41.04 C ATOM 152 CG LEU A 11 -10.928 16.005 -12.431 1.00 62.24 C ATOM 153 CD1 LEU A 11 -11.003 15.445 -13.843 1.00 74.23 C ATOM 154 CD2 LEU A 11 -12.137 16.881 -12.138 1.00 21.13 C ATOM 0 H LEU A 11 -8.294 14.427 -10.942 1.00 44.45 H new ATOM 0 HA LEU A 11 -10.354 16.187 -9.776 1.00 33.03 H new ATOM 0 HB2 LEU A 11 -10.345 14.019 -11.888 1.00 41.04 H new ATOM 0 HB3 LEU A 11 -11.835 14.559 -11.141 1.00 41.04 H new ATOM 0 HG LEU A 11 -10.032 16.620 -12.353 1.00 62.24 H new ATOM 0 HD11 LEU A 11 -11.075 16.266 -14.557 1.00 74.23 H new ATOM 0 HD12 LEU A 11 -10.106 14.861 -14.051 1.00 74.23 H new ATOM 0 HD13 LEU A 11 -11.881 14.806 -13.935 1.00 74.23 H new ATOM 0 HD21 LEU A 11 -12.193 17.682 -12.875 1.00 21.13 H new ATOM 0 HD22 LEU A 11 -13.044 16.278 -12.187 1.00 21.13 H new ATOM 0 HD23 LEU A 11 -12.041 17.312 -11.141 1.00 21.13 H new ATOM 166 N LEU A 12 -11.465 14.478 -8.278 1.00 73.11 N ATOM 167 CA LEU A 12 -11.910 13.591 -7.209 1.00 21.32 C ATOM 168 C LEU A 12 -13.356 13.157 -7.427 1.00 11.54 C ATOM 169 O LEU A 12 -14.210 13.967 -7.790 1.00 23.24 O ATOM 170 CB LEU A 12 -11.772 14.285 -5.853 1.00 12.12 C ATOM 171 CG LEU A 12 -10.502 13.969 -5.063 1.00 3.22 C ATOM 172 CD1 LEU A 12 -9.371 14.898 -5.476 1.00 50.44 C ATOM 173 CD2 LEU A 12 -10.763 14.077 -3.568 1.00 22.35 C ATOM 0 H LEU A 12 -12.021 15.327 -8.380 1.00 73.11 H new ATOM 0 HA LEU A 12 -11.278 12.703 -7.221 1.00 21.32 H new ATOM 0 HB2 LEU A 12 -11.818 15.362 -6.013 1.00 12.12 H new ATOM 0 HB3 LEU A 12 -12.633 14.016 -5.241 1.00 12.12 H new ATOM 0 HG LEU A 12 -10.204 12.945 -5.287 1.00 3.22 H new ATOM 0 HD11 LEU A 12 -8.475 14.658 -4.903 1.00 50.44 H new ATOM 0 HD12 LEU A 12 -9.166 14.772 -6.539 1.00 50.44 H new ATOM 0 HD13 LEU A 12 -9.660 15.931 -5.282 1.00 50.44 H new ATOM 0 HD21 LEU A 12 -9.848 13.849 -3.021 1.00 22.35 H new ATOM 0 HD22 LEU A 12 -11.086 15.090 -3.327 1.00 22.35 H new ATOM 0 HD23 LEU A 12 -11.542 13.370 -3.283 1.00 22.35 H new ATOM 185 N VAL A 13 -13.625 11.875 -7.200 1.00 41.44 N ATOM 186 CA VAL A 13 -14.969 11.335 -7.369 1.00 25.25 C ATOM 187 C VAL A 13 -15.454 10.661 -6.090 1.00 64.31 C ATOM 188 O VAL A 13 -14.788 9.777 -5.551 1.00 14.53 O ATOM 189 CB VAL A 13 -15.024 10.319 -8.525 1.00 30.44 C ATOM 190 CG1 VAL A 13 -16.439 9.791 -8.705 1.00 13.23 C ATOM 191 CG2 VAL A 13 -14.513 10.948 -9.812 1.00 1.03 C ATOM 0 H VAL A 13 -12.930 11.191 -6.899 1.00 41.44 H new ATOM 0 HA VAL A 13 -15.622 12.176 -7.603 1.00 25.25 H new ATOM 0 HB VAL A 13 -14.377 9.478 -8.277 1.00 30.44 H new ATOM 0 HG11 VAL A 13 -16.458 9.075 -9.526 1.00 13.23 H new ATOM 0 HG12 VAL A 13 -16.764 9.300 -7.787 1.00 13.23 H new ATOM 0 HG13 VAL A 13 -17.111 10.619 -8.930 1.00 13.23 H new ATOM 0 HG21 VAL A 13 -14.559 10.216 -10.618 1.00 1.03 H new ATOM 0 HG22 VAL A 13 -15.132 11.808 -10.067 1.00 1.03 H new ATOM 0 HG23 VAL A 13 -13.481 11.271 -9.674 1.00 1.03 H new ATOM 201 N GLY A 14 -16.619 11.084 -5.610 1.00 31.32 N ATOM 202 CA GLY A 14 -17.174 10.510 -4.398 1.00 74.20 C ATOM 203 C GLY A 14 -18.651 10.812 -4.237 1.00 71.45 C ATOM 204 O GLY A 14 -19.407 10.781 -5.209 1.00 11.13 O ATOM 0 H GLY A 14 -17.188 11.814 -6.038 1.00 31.32 H new ATOM 0 HA2 GLY A 14 -17.026 9.430 -4.410 1.00 74.20 H new ATOM 0 HA3 GLY A 14 -16.631 10.896 -3.535 1.00 74.20 H new ATOM 208 N ASP A 15 -19.064 11.102 -3.009 1.00 4.14 N ATOM 209 CA ASP A 15 -20.460 11.410 -2.724 1.00 33.03 C ATOM 210 C ASP A 15 -20.682 12.918 -2.658 1.00 60.15 C ATOM 211 O ASP A 15 -21.700 13.384 -2.148 1.00 15.14 O ATOM 212 CB ASP A 15 -20.889 10.762 -1.407 1.00 33.54 C ATOM 213 CG ASP A 15 -22.376 10.468 -1.363 1.00 70.11 C ATOM 214 OD1 ASP A 15 -23.148 11.374 -0.986 1.00 74.42 O ATOM 215 OD2 ASP A 15 -22.767 9.332 -1.705 1.00 71.01 O ATOM 0 H ASP A 15 -18.451 11.130 -2.194 1.00 4.14 H new ATOM 0 HA ASP A 15 -21.067 11.006 -3.534 1.00 33.03 H new ATOM 0 HB2 ASP A 15 -20.334 9.835 -1.264 1.00 33.54 H new ATOM 0 HB3 ASP A 15 -20.627 11.421 -0.579 1.00 33.54 H new ATOM 220 N ASP A 16 -19.722 13.675 -3.178 1.00 22.30 N ATOM 221 CA ASP A 16 -19.812 15.130 -3.179 1.00 3.31 C ATOM 222 C ASP A 16 -20.109 15.657 -1.779 1.00 1.25 C ATOM 223 O ASP A 16 -21.226 16.088 -1.489 1.00 4.11 O ATOM 224 CB ASP A 16 -20.896 15.595 -4.153 1.00 23.12 C ATOM 225 CG ASP A 16 -21.034 17.104 -4.188 1.00 43.22 C ATOM 226 OD1 ASP A 16 -20.183 17.792 -3.586 1.00 60.31 O ATOM 227 OD2 ASP A 16 -21.993 17.598 -4.817 1.00 51.05 O ATOM 0 H ASP A 16 -18.872 13.305 -3.604 1.00 22.30 H new ATOM 0 HA ASP A 16 -18.850 15.528 -3.501 1.00 3.31 H new ATOM 0 HB2 ASP A 16 -20.662 15.231 -5.153 1.00 23.12 H new ATOM 0 HB3 ASP A 16 -21.850 15.152 -3.868 1.00 23.12 H new ATOM 232 N THR A 17 -19.102 15.619 -0.911 1.00 41.22 N ATOM 233 CA THR A 17 -19.255 16.090 0.459 1.00 14.43 C ATOM 234 C THR A 17 -18.464 17.372 0.692 1.00 40.31 C ATOM 235 O THR A 17 -17.431 17.598 0.062 1.00 3.01 O ATOM 236 CB THR A 17 -18.797 15.026 1.474 1.00 43.00 C ATOM 237 OG1 THR A 17 -17.367 14.942 1.483 1.00 33.30 O ATOM 238 CG2 THR A 17 -19.388 13.666 1.136 1.00 61.21 C ATOM 0 H THR A 17 -18.171 15.266 -1.134 1.00 41.22 H new ATOM 0 HA THR A 17 -20.316 16.289 0.607 1.00 14.43 H new ATOM 0 HB THR A 17 -19.150 15.322 2.462 1.00 43.00 H new ATOM 0 HG1 THR A 17 -17.045 14.748 0.578 1.00 33.30 H new ATOM 0 HG21 THR A 17 -19.050 12.931 1.867 1.00 61.21 H new ATOM 0 HG22 THR A 17 -20.476 13.726 1.158 1.00 61.21 H new ATOM 0 HG23 THR A 17 -19.062 13.365 0.141 1.00 61.21 H new ATOM 246 N SER A 18 -18.955 18.209 1.601 1.00 60.23 N ATOM 247 CA SER A 18 -18.294 19.470 1.914 1.00 15.42 C ATOM 248 C SER A 18 -16.949 19.226 2.590 1.00 23.21 C ATOM 249 O SER A 18 -16.111 20.124 2.673 1.00 11.23 O ATOM 250 CB SER A 18 -19.184 20.325 2.819 1.00 53.34 C ATOM 251 OG SER A 18 -18.773 21.681 2.804 1.00 11.41 O ATOM 0 H SER A 18 -19.808 18.036 2.133 1.00 60.23 H new ATOM 0 HA SER A 18 -18.119 20.002 0.979 1.00 15.42 H new ATOM 0 HB2 SER A 18 -20.220 20.252 2.489 1.00 53.34 H new ATOM 0 HB3 SER A 18 -19.146 19.942 3.839 1.00 53.34 H new ATOM 0 HG SER A 18 -17.804 21.728 2.663 1.00 11.41 H new ATOM 257 N ARG A 19 -16.749 18.003 3.072 1.00 51.34 N ATOM 258 CA ARG A 19 -15.506 17.640 3.742 1.00 74.55 C ATOM 259 C ARG A 19 -14.382 17.437 2.730 1.00 53.23 C ATOM 260 O ARG A 19 -13.203 17.520 3.072 1.00 4.13 O ATOM 261 CB ARG A 19 -15.700 16.365 4.566 1.00 55.52 C ATOM 262 CG ARG A 19 -16.806 16.474 5.603 1.00 32.40 C ATOM 263 CD ARG A 19 -16.577 15.518 6.764 1.00 44.24 C ATOM 264 NE ARG A 19 -17.527 15.739 7.850 1.00 21.14 N ATOM 265 CZ ARG A 19 -17.617 14.954 8.919 1.00 51.35 C ATOM 266 NH1 ARG A 19 -16.818 13.904 9.043 1.00 72.54 N ATOM 267 NH2 ARG A 19 -18.507 15.221 9.866 1.00 74.44 N ATOM 0 H ARG A 19 -17.432 17.248 3.011 1.00 51.34 H new ATOM 0 HA ARG A 19 -15.229 18.457 4.408 1.00 74.55 H new ATOM 0 HB2 ARG A 19 -15.925 15.538 3.893 1.00 55.52 H new ATOM 0 HB3 ARG A 19 -14.764 16.121 5.069 1.00 55.52 H new ATOM 0 HG2 ARG A 19 -16.856 17.497 5.977 1.00 32.40 H new ATOM 0 HG3 ARG A 19 -17.767 16.258 5.136 1.00 32.40 H new ATOM 0 HD2 ARG A 19 -16.664 14.491 6.410 1.00 44.24 H new ATOM 0 HD3 ARG A 19 -15.561 15.641 7.140 1.00 44.24 H new ATOM 0 HE ARG A 19 -18.156 16.539 7.785 1.00 21.14 H new ATOM 0 HH11 ARG A 19 -16.132 13.697 8.317 1.00 72.54 H new ATOM 0 HH12 ARG A 19 -16.889 13.303 9.864 1.00 72.54 H new ATOM 0 HH21 ARG A 19 -19.123 16.029 9.774 1.00 74.44 H new ATOM 0 HH22 ARG A 19 -18.576 14.618 10.686 1.00 74.44 H new ATOM 281 N TYR A 20 -14.756 17.171 1.483 1.00 13.32 N ATOM 282 CA TYR A 20 -13.780 16.954 0.422 1.00 12.11 C ATOM 283 C TYR A 20 -12.890 18.180 0.241 1.00 12.03 C ATOM 284 O TYR A 20 -11.695 18.058 -0.027 1.00 15.44 O ATOM 285 CB TYR A 20 -14.489 16.627 -0.893 1.00 35.41 C ATOM 286 CG TYR A 20 -14.675 15.145 -1.128 1.00 63.52 C ATOM 287 CD1 TYR A 20 -15.021 14.293 -0.086 1.00 43.41 C ATOM 288 CD2 TYR A 20 -14.505 14.596 -2.393 1.00 63.44 C ATOM 289 CE1 TYR A 20 -15.190 12.939 -0.297 1.00 32.35 C ATOM 290 CE2 TYR A 20 -14.674 13.242 -2.613 1.00 45.24 C ATOM 291 CZ TYR A 20 -15.016 12.418 -1.562 1.00 23.12 C ATOM 292 OH TYR A 20 -15.185 11.069 -1.776 1.00 10.22 O ATOM 0 H TYR A 20 -15.728 17.101 1.182 1.00 13.32 H new ATOM 0 HA TYR A 20 -13.152 16.110 0.708 1.00 12.11 H new ATOM 0 HB2 TYR A 20 -15.465 17.113 -0.901 1.00 35.41 H new ATOM 0 HB3 TYR A 20 -13.917 17.048 -1.719 1.00 35.41 H new ATOM 0 HD1 TYR A 20 -15.160 14.697 0.906 1.00 43.41 H new ATOM 0 HD2 TYR A 20 -14.236 15.238 -3.219 1.00 63.44 H new ATOM 0 HE1 TYR A 20 -15.457 12.291 0.525 1.00 32.35 H new ATOM 0 HE2 TYR A 20 -14.539 12.832 -3.603 1.00 45.24 H new ATOM 0 HH TYR A 20 -16.084 10.803 -1.491 1.00 10.22 H new ATOM 302 N GLU A 21 -13.483 19.361 0.391 1.00 62.42 N ATOM 303 CA GLU A 21 -12.744 20.609 0.244 1.00 52.30 C ATOM 304 C GLU A 21 -11.769 20.804 1.402 1.00 51.05 C ATOM 305 O GLU A 21 -10.598 21.120 1.193 1.00 14.31 O ATOM 306 CB GLU A 21 -13.710 21.794 0.172 1.00 73.32 C ATOM 307 CG GLU A 21 -14.788 21.637 -0.888 1.00 22.51 C ATOM 308 CD GLU A 21 -15.716 22.833 -0.958 1.00 13.42 C ATOM 309 OE1 GLU A 21 -15.809 23.571 0.046 1.00 35.51 O ATOM 310 OE2 GLU A 21 -16.349 23.033 -2.015 1.00 75.24 O ATOM 0 H GLU A 21 -14.471 19.479 0.614 1.00 62.42 H new ATOM 0 HA GLU A 21 -12.174 20.557 -0.684 1.00 52.30 H new ATOM 0 HB2 GLU A 21 -14.185 21.925 1.144 1.00 73.32 H new ATOM 0 HB3 GLU A 21 -13.143 22.703 -0.030 1.00 73.32 H new ATOM 0 HG2 GLU A 21 -14.318 21.490 -1.860 1.00 22.51 H new ATOM 0 HG3 GLU A 21 -15.372 20.741 -0.677 1.00 22.51 H new ATOM 317 N GLU A 22 -12.262 20.613 2.621 1.00 10.13 N ATOM 318 CA GLU A 22 -11.435 20.769 3.812 1.00 44.22 C ATOM 319 C GLU A 22 -10.310 19.738 3.832 1.00 43.34 C ATOM 320 O GLU A 22 -9.150 20.073 4.073 1.00 2.02 O ATOM 321 CB GLU A 22 -12.288 20.633 5.075 1.00 50.25 C ATOM 322 CG GLU A 22 -11.506 20.832 6.362 1.00 20.20 C ATOM 323 CD GLU A 22 -12.042 19.993 7.506 1.00 54.12 C ATOM 324 OE1 GLU A 22 -13.270 19.768 7.550 1.00 31.42 O ATOM 325 OE2 GLU A 22 -11.236 19.563 8.356 1.00 64.30 O ATOM 0 H GLU A 22 -13.229 20.350 2.810 1.00 10.13 H new ATOM 0 HA GLU A 22 -10.992 21.765 3.787 1.00 44.22 H new ATOM 0 HB2 GLU A 22 -13.098 21.361 5.036 1.00 50.25 H new ATOM 0 HB3 GLU A 22 -12.748 19.645 5.088 1.00 50.25 H new ATOM 0 HG2 GLU A 22 -10.460 20.579 6.190 1.00 20.20 H new ATOM 0 HG3 GLU A 22 -11.537 21.885 6.643 1.00 20.20 H new ATOM 332 N VAL A 23 -10.662 18.482 3.576 1.00 5.21 N ATOM 333 CA VAL A 23 -9.683 17.402 3.564 1.00 62.53 C ATOM 334 C VAL A 23 -8.628 17.628 2.486 1.00 20.34 C ATOM 335 O VAL A 23 -7.453 17.316 2.679 1.00 51.40 O ATOM 336 CB VAL A 23 -10.357 16.037 3.328 1.00 24.33 C ATOM 337 CG1 VAL A 23 -9.314 14.932 3.252 1.00 44.25 C ATOM 338 CG2 VAL A 23 -11.371 15.748 4.424 1.00 32.24 C ATOM 0 H VAL A 23 -11.618 18.188 3.374 1.00 5.21 H new ATOM 0 HA VAL A 23 -9.203 17.399 4.543 1.00 62.53 H new ATOM 0 HB VAL A 23 -10.885 16.072 2.375 1.00 24.33 H new ATOM 0 HG11 VAL A 23 -9.809 13.975 3.085 1.00 44.25 H new ATOM 0 HG12 VAL A 23 -8.629 15.135 2.429 1.00 44.25 H new ATOM 0 HG13 VAL A 23 -8.756 14.893 4.188 1.00 44.25 H new ATOM 0 HG21 VAL A 23 -11.838 14.780 4.242 1.00 32.24 H new ATOM 0 HG22 VAL A 23 -10.867 15.732 5.391 1.00 32.24 H new ATOM 0 HG23 VAL A 23 -12.136 16.525 4.426 1.00 32.24 H new ATOM 348 N MET A 24 -9.056 18.172 1.352 1.00 0.11 N ATOM 349 CA MET A 24 -8.147 18.442 0.244 1.00 72.11 C ATOM 350 C MET A 24 -7.282 19.664 0.535 1.00 14.22 C ATOM 351 O MET A 24 -6.104 19.703 0.181 1.00 61.43 O ATOM 352 CB MET A 24 -8.936 18.657 -1.049 1.00 43.04 C ATOM 353 CG MET A 24 -9.396 17.364 -1.703 1.00 3.00 C ATOM 354 SD MET A 24 -8.028 16.400 -2.374 1.00 24.24 S ATOM 355 CE MET A 24 -7.834 15.155 -1.100 1.00 52.31 C ATOM 0 H MET A 24 -10.026 18.434 1.176 1.00 0.11 H new ATOM 0 HA MET A 24 -7.494 17.578 0.124 1.00 72.11 H new ATOM 0 HB2 MET A 24 -9.807 19.276 -0.835 1.00 43.04 H new ATOM 0 HB3 MET A 24 -8.317 19.211 -1.755 1.00 43.04 H new ATOM 0 HG2 MET A 24 -9.934 16.762 -0.971 1.00 3.00 H new ATOM 0 HG3 MET A 24 -10.099 17.596 -2.503 1.00 3.00 H new ATOM 0 HE1 MET A 24 -6.775 14.930 -0.969 1.00 52.31 H new ATOM 0 HE2 MET A 24 -8.245 15.528 -0.162 1.00 52.31 H new ATOM 0 HE3 MET A 24 -8.364 14.249 -1.393 1.00 52.31 H new ATOM 365 N LYS A 25 -7.875 20.662 1.183 1.00 62.15 N ATOM 366 CA LYS A 25 -7.159 21.886 1.523 1.00 70.32 C ATOM 367 C LYS A 25 -6.159 21.636 2.647 1.00 43.40 C ATOM 368 O LYS A 25 -5.292 22.469 2.918 1.00 75.21 O ATOM 369 CB LYS A 25 -8.146 22.980 1.937 1.00 22.30 C ATOM 370 CG LYS A 25 -8.482 23.951 0.819 1.00 44.13 C ATOM 371 CD LYS A 25 -9.158 23.248 -0.346 1.00 40.12 C ATOM 372 CE LYS A 25 -9.201 24.133 -1.582 1.00 42.25 C ATOM 373 NZ LYS A 25 -9.842 25.448 -1.302 1.00 23.33 N ATOM 0 H LYS A 25 -8.850 20.647 1.483 1.00 62.15 H new ATOM 0 HA LYS A 25 -6.611 22.215 0.640 1.00 70.32 H new ATOM 0 HB2 LYS A 25 -9.066 22.513 2.290 1.00 22.30 H new ATOM 0 HB3 LYS A 25 -7.728 23.536 2.776 1.00 22.30 H new ATOM 0 HG2 LYS A 25 -9.136 24.735 1.201 1.00 44.13 H new ATOM 0 HG3 LYS A 25 -7.570 24.437 0.472 1.00 44.13 H new ATOM 0 HD2 LYS A 25 -8.624 22.326 -0.576 1.00 40.12 H new ATOM 0 HD3 LYS A 25 -10.172 22.966 -0.063 1.00 40.12 H new ATOM 0 HE2 LYS A 25 -8.187 24.294 -1.948 1.00 42.25 H new ATOM 0 HE3 LYS A 25 -9.749 23.623 -2.374 1.00 42.25 H new ATOM 0 HZ1 LYS A 25 -10.113 25.900 -2.199 1.00 23.33 H new ATOM 0 HZ2 LYS A 25 -10.689 25.303 -0.717 1.00 23.33 H new ATOM 0 HZ3 LYS A 25 -9.171 26.060 -0.795 1.00 23.33 H new ATOM 387 N THR A 26 -6.283 20.484 3.299 1.00 45.24 N ATOM 388 CA THR A 26 -5.389 20.125 4.393 1.00 55.30 C ATOM 389 C THR A 26 -3.929 20.240 3.971 1.00 71.51 C ATOM 390 O THR A 26 -3.048 20.459 4.802 1.00 24.51 O ATOM 391 CB THR A 26 -5.658 18.692 4.890 1.00 2.21 C ATOM 392 OG1 THR A 26 -5.171 18.539 6.228 1.00 34.31 O ATOM 393 CG2 THR A 26 -4.990 17.671 3.982 1.00 30.40 C ATOM 0 H THR A 26 -6.994 19.784 3.088 1.00 45.24 H new ATOM 0 HA THR A 26 -5.585 20.826 5.205 1.00 55.30 H new ATOM 0 HB THR A 26 -6.734 18.520 4.873 1.00 2.21 H new ATOM 0 HG1 THR A 26 -5.347 17.626 6.538 1.00 34.31 H new ATOM 0 HG21 THR A 26 -5.194 16.666 4.353 1.00 30.40 H new ATOM 0 HG22 THR A 26 -5.383 17.771 2.970 1.00 30.40 H new ATOM 0 HG23 THR A 26 -3.914 17.843 3.971 1.00 30.40 H new ATOM 401 N PHE A 27 -3.679 20.091 2.674 1.00 34.53 N ATOM 402 CA PHE A 27 -2.325 20.177 2.142 1.00 64.13 C ATOM 403 C PHE A 27 -2.138 21.459 1.336 1.00 4.22 C ATOM 404 O PHE A 27 -2.942 21.777 0.460 1.00 44.33 O ATOM 405 CB PHE A 27 -2.020 18.961 1.264 1.00 34.02 C ATOM 406 CG PHE A 27 -1.016 18.022 1.869 1.00 71.34 C ATOM 407 CD1 PHE A 27 -1.129 17.623 3.191 1.00 72.55 C ATOM 408 CD2 PHE A 27 0.041 17.538 1.115 1.00 43.42 C ATOM 409 CE1 PHE A 27 -0.207 16.758 3.750 1.00 40.02 C ATOM 410 CE2 PHE A 27 0.966 16.673 1.668 1.00 1.44 C ATOM 411 CZ PHE A 27 0.843 16.284 2.988 1.00 74.32 C ATOM 0 H PHE A 27 -4.397 19.910 1.972 1.00 34.53 H new ATOM 0 HA PHE A 27 -1.632 20.192 2.983 1.00 64.13 H new ATOM 0 HB2 PHE A 27 -2.946 18.418 1.075 1.00 34.02 H new ATOM 0 HB3 PHE A 27 -1.649 19.304 0.298 1.00 34.02 H new ATOM 0 HD1 PHE A 27 -1.947 17.992 3.792 1.00 72.55 H new ATOM 0 HD2 PHE A 27 0.143 17.840 0.083 1.00 43.42 H new ATOM 0 HE1 PHE A 27 -0.308 16.453 4.781 1.00 40.02 H new ATOM 0 HE2 PHE A 27 1.784 16.301 1.069 1.00 1.44 H new ATOM 0 HZ PHE A 27 1.567 15.611 3.423 1.00 74.32 H new ATOM 421 N ASP A 28 -1.072 22.191 1.640 1.00 3.42 N ATOM 422 CA ASP A 28 -0.778 23.439 0.945 1.00 44.11 C ATOM 423 C ASP A 28 -0.727 23.222 -0.564 1.00 72.51 C ATOM 424 O ASP A 28 -0.987 24.139 -1.344 1.00 64.41 O ATOM 425 CB ASP A 28 0.551 24.019 1.434 1.00 54.33 C ATOM 426 CG ASP A 28 0.476 24.509 2.867 1.00 62.24 C ATOM 427 OD1 ASP A 28 -0.391 25.359 3.159 1.00 21.13 O ATOM 428 OD2 ASP A 28 1.284 24.041 3.696 1.00 44.25 O ATOM 0 H ASP A 28 -0.397 21.942 2.363 1.00 3.42 H new ATOM 0 HA ASP A 28 -1.578 24.146 1.166 1.00 44.11 H new ATOM 0 HB2 ASP A 28 1.328 23.259 1.353 1.00 54.33 H new ATOM 0 HB3 ASP A 28 0.844 24.845 0.786 1.00 54.33 H new ATOM 433 N THR A 29 -0.391 22.001 -0.970 1.00 45.12 N ATOM 434 CA THR A 29 -0.304 21.663 -2.385 1.00 43.32 C ATOM 435 C THR A 29 -1.575 22.063 -3.125 1.00 51.30 C ATOM 436 O THR A 29 -1.527 22.480 -4.282 1.00 41.43 O ATOM 437 CB THR A 29 -0.057 20.156 -2.589 1.00 12.51 C ATOM 438 OG1 THR A 29 0.862 19.673 -1.603 1.00 34.31 O ATOM 439 CG2 THR A 29 0.493 19.881 -3.980 1.00 52.43 C ATOM 0 H THR A 29 -0.175 21.230 -0.338 1.00 45.12 H new ATOM 0 HA THR A 29 0.540 22.220 -2.791 1.00 43.32 H new ATOM 0 HB THR A 29 -1.009 19.636 -2.483 1.00 12.51 H new ATOM 0 HG1 THR A 29 1.013 18.714 -1.738 1.00 34.31 H new ATOM 0 HG21 THR A 29 0.659 18.811 -4.100 1.00 52.43 H new ATOM 0 HG22 THR A 29 -0.222 20.224 -4.728 1.00 52.43 H new ATOM 0 HG23 THR A 29 1.436 20.412 -4.110 1.00 52.43 H new ATOM 447 N VAL A 30 -2.713 21.934 -2.450 1.00 3.24 N ATOM 448 CA VAL A 30 -3.998 22.284 -3.043 1.00 2.22 C ATOM 449 C VAL A 30 -4.239 23.788 -2.984 1.00 43.43 C ATOM 450 O VAL A 30 -4.317 24.372 -1.904 1.00 40.30 O ATOM 451 CB VAL A 30 -5.159 21.562 -2.334 1.00 23.52 C ATOM 452 CG1 VAL A 30 -6.496 22.024 -2.892 1.00 30.13 C ATOM 453 CG2 VAL A 30 -5.008 20.054 -2.468 1.00 33.31 C ATOM 0 H VAL A 30 -2.771 21.589 -1.492 1.00 3.24 H new ATOM 0 HA VAL A 30 -3.963 21.965 -4.085 1.00 2.22 H new ATOM 0 HB VAL A 30 -5.129 21.815 -1.274 1.00 23.52 H new ATOM 0 HG11 VAL A 30 -7.304 21.503 -2.379 1.00 30.13 H new ATOM 0 HG12 VAL A 30 -6.602 23.098 -2.739 1.00 30.13 H new ATOM 0 HG13 VAL A 30 -6.541 21.803 -3.958 1.00 30.13 H new ATOM 0 HG21 VAL A 30 -5.837 19.559 -1.961 1.00 33.31 H new ATOM 0 HG22 VAL A 30 -5.012 19.780 -3.523 1.00 33.31 H new ATOM 0 HG23 VAL A 30 -4.067 19.741 -2.016 1.00 33.31 H new ATOM 463 N GLU A 31 -4.356 24.409 -4.154 1.00 3.52 N ATOM 464 CA GLU A 31 -4.587 25.847 -4.235 1.00 35.21 C ATOM 465 C GLU A 31 -6.074 26.166 -4.108 1.00 13.22 C ATOM 466 O GLU A 31 -6.466 27.061 -3.359 1.00 60.12 O ATOM 467 CB GLU A 31 -4.047 26.399 -5.555 1.00 50.44 C ATOM 468 CG GLU A 31 -3.787 27.896 -5.528 1.00 1.11 C ATOM 469 CD GLU A 31 -2.916 28.358 -6.680 1.00 2.11 C ATOM 470 OE1 GLU A 31 -2.812 27.616 -7.679 1.00 24.31 O ATOM 471 OE2 GLU A 31 -2.338 29.461 -6.583 1.00 15.02 O ATOM 0 H GLU A 31 -4.295 23.940 -5.057 1.00 3.52 H new ATOM 0 HA GLU A 31 -4.059 26.322 -3.408 1.00 35.21 H new ATOM 0 HB2 GLU A 31 -3.120 25.882 -5.803 1.00 50.44 H new ATOM 0 HB3 GLU A 31 -4.758 26.177 -6.350 1.00 50.44 H new ATOM 0 HG2 GLU A 31 -4.738 28.427 -5.561 1.00 1.11 H new ATOM 0 HG3 GLU A 31 -3.307 28.161 -4.586 1.00 1.11 H new ATOM 478 N ALA A 32 -6.897 25.428 -4.845 1.00 71.15 N ATOM 479 CA ALA A 32 -8.340 25.631 -4.815 1.00 33.32 C ATOM 480 C ALA A 32 -9.073 24.455 -5.452 1.00 54.20 C ATOM 481 O ALA A 32 -8.473 23.645 -6.159 1.00 10.34 O ATOM 482 CB ALA A 32 -8.706 26.928 -5.520 1.00 40.32 C ATOM 0 H ALA A 32 -6.589 24.684 -5.471 1.00 71.15 H new ATOM 0 HA ALA A 32 -8.651 25.698 -3.772 1.00 33.32 H new ATOM 0 HB1 ALA A 32 -9.787 27.066 -5.490 1.00 40.32 H new ATOM 0 HB2 ALA A 32 -8.219 27.765 -5.019 1.00 40.32 H new ATOM 0 HB3 ALA A 32 -8.375 26.884 -6.558 1.00 40.32 H new ATOM 488 N VAL A 33 -10.375 24.367 -5.197 1.00 51.11 N ATOM 489 CA VAL A 33 -11.190 23.290 -5.746 1.00 55.43 C ATOM 490 C VAL A 33 -12.470 23.834 -6.372 1.00 10.22 C ATOM 491 O VAL A 33 -13.048 24.805 -5.883 1.00 33.34 O ATOM 492 CB VAL A 33 -11.559 22.258 -4.664 1.00 75.05 C ATOM 493 CG1 VAL A 33 -12.418 21.150 -5.255 1.00 21.44 C ATOM 494 CG2 VAL A 33 -10.304 21.687 -4.023 1.00 62.02 C ATOM 0 H VAL A 33 -10.888 25.029 -4.614 1.00 51.11 H new ATOM 0 HA VAL A 33 -10.592 22.801 -6.515 1.00 55.43 H new ATOM 0 HB VAL A 33 -12.138 22.760 -3.889 1.00 75.05 H new ATOM 0 HG11 VAL A 33 -12.669 20.430 -4.476 1.00 21.44 H new ATOM 0 HG12 VAL A 33 -13.334 21.578 -5.663 1.00 21.44 H new ATOM 0 HG13 VAL A 33 -11.867 20.647 -6.050 1.00 21.44 H new ATOM 0 HG21 VAL A 33 -10.583 20.960 -3.261 1.00 62.02 H new ATOM 0 HG22 VAL A 33 -9.696 21.199 -4.785 1.00 62.02 H new ATOM 0 HG23 VAL A 33 -9.732 22.493 -3.563 1.00 62.02 H new ATOM 504 N ARG A 34 -12.907 23.202 -7.456 1.00 12.00 N ATOM 505 CA ARG A 34 -14.119 23.623 -8.149 1.00 63.14 C ATOM 506 C ARG A 34 -14.930 22.415 -8.609 1.00 23.21 C ATOM 507 O ARG A 34 -14.381 21.454 -9.149 1.00 72.01 O ATOM 508 CB ARG A 34 -13.765 24.500 -9.352 1.00 0.34 C ATOM 509 CG ARG A 34 -13.412 25.931 -8.979 1.00 21.14 C ATOM 510 CD ARG A 34 -14.657 26.789 -8.822 1.00 53.44 C ATOM 511 NE ARG A 34 -15.439 26.849 -10.055 1.00 10.25 N ATOM 512 CZ ARG A 34 -16.631 27.429 -10.141 1.00 41.33 C ATOM 513 NH1 ARG A 34 -17.175 27.997 -9.074 1.00 20.33 N ATOM 514 NH2 ARG A 34 -17.281 27.443 -11.298 1.00 62.11 N ATOM 0 H ARG A 34 -12.440 22.397 -7.873 1.00 12.00 H new ATOM 0 HA ARG A 34 -14.724 24.201 -7.451 1.00 63.14 H new ATOM 0 HB2 ARG A 34 -12.924 24.053 -9.882 1.00 0.34 H new ATOM 0 HB3 ARG A 34 -14.607 24.511 -10.044 1.00 0.34 H new ATOM 0 HG2 ARG A 34 -12.845 25.936 -8.048 1.00 21.14 H new ATOM 0 HG3 ARG A 34 -12.768 26.360 -9.747 1.00 21.14 H new ATOM 0 HD2 ARG A 34 -15.276 26.387 -8.020 1.00 53.44 H new ATOM 0 HD3 ARG A 34 -14.368 27.798 -8.527 1.00 53.44 H new ATOM 0 HE ARG A 34 -15.048 26.422 -10.895 1.00 10.25 H new ATOM 0 HH11 ARG A 34 -16.678 27.990 -8.183 1.00 20.33 H new ATOM 0 HH12 ARG A 34 -18.090 28.441 -9.144 1.00 20.33 H new ATOM 0 HH21 ARG A 34 -16.865 27.008 -12.122 1.00 62.11 H new ATOM 0 HH22 ARG A 34 -18.196 27.888 -11.363 1.00 62.11 H new ATOM 528 N LYS A 35 -16.239 22.470 -8.390 1.00 71.12 N ATOM 529 CA LYS A 35 -17.127 21.382 -8.782 1.00 32.23 C ATOM 530 C LYS A 35 -17.171 21.235 -10.299 1.00 54.03 C ATOM 531 O LYS A 35 -16.664 22.086 -11.030 1.00 22.12 O ATOM 532 CB LYS A 35 -18.538 21.628 -8.241 1.00 64.41 C ATOM 533 CG LYS A 35 -19.285 22.730 -8.972 1.00 35.55 C ATOM 534 CD LYS A 35 -20.402 22.168 -9.835 1.00 72.33 C ATOM 535 CE LYS A 35 -21.554 21.647 -8.989 1.00 4.13 C ATOM 536 NZ LYS A 35 -22.180 20.436 -9.588 1.00 44.10 N ATOM 0 H LYS A 35 -16.709 23.257 -7.943 1.00 71.12 H new ATOM 0 HA LYS A 35 -16.737 20.457 -8.357 1.00 32.23 H new ATOM 0 HB2 LYS A 35 -19.111 20.704 -8.311 1.00 64.41 H new ATOM 0 HB3 LYS A 35 -18.473 21.884 -7.183 1.00 64.41 H new ATOM 0 HG2 LYS A 35 -19.701 23.431 -8.248 1.00 35.55 H new ATOM 0 HG3 LYS A 35 -18.589 23.291 -9.596 1.00 35.55 H new ATOM 0 HD2 LYS A 35 -20.766 22.943 -10.510 1.00 72.33 H new ATOM 0 HD3 LYS A 35 -20.012 21.362 -10.456 1.00 72.33 H new ATOM 0 HE2 LYS A 35 -21.192 21.411 -7.988 1.00 4.13 H new ATOM 0 HE3 LYS A 35 -22.306 22.428 -8.880 1.00 4.13 H new ATOM 0 HZ1 LYS A 35 -22.579 19.842 -8.833 1.00 44.10 H new ATOM 0 HZ2 LYS A 35 -22.938 20.723 -10.239 1.00 44.10 H new ATOM 0 HZ3 LYS A 35 -21.461 19.896 -10.110 1.00 44.10 H new ATOM 550 N SER A 36 -17.783 20.151 -10.767 1.00 2.30 N ATOM 551 CA SER A 36 -17.891 19.892 -12.198 1.00 12.41 C ATOM 552 C SER A 36 -19.336 20.035 -12.668 1.00 4.41 C ATOM 553 O SER A 36 -20.215 19.285 -12.244 1.00 50.13 O ATOM 554 CB SER A 36 -17.373 18.490 -12.525 1.00 11.54 C ATOM 555 OG SER A 36 -16.807 18.446 -13.823 1.00 22.21 O ATOM 0 H SER A 36 -18.211 19.439 -10.176 1.00 2.30 H new ATOM 0 HA SER A 36 -17.282 20.628 -12.722 1.00 12.41 H new ATOM 0 HB2 SER A 36 -16.626 18.194 -11.789 1.00 11.54 H new ATOM 0 HB3 SER A 36 -18.190 17.772 -12.456 1.00 11.54 H new ATOM 0 HG SER A 36 -16.482 17.540 -14.008 1.00 22.21 H new ATOM 561 N ASP A 37 -19.572 21.004 -13.546 1.00 30.12 N ATOM 562 CA ASP A 37 -20.909 21.246 -14.075 1.00 50.24 C ATOM 563 C ASP A 37 -21.456 19.999 -14.763 1.00 24.34 C ATOM 564 O ASP A 37 -22.669 19.806 -14.850 1.00 51.43 O ATOM 565 CB ASP A 37 -20.887 22.417 -15.059 1.00 43.11 C ATOM 566 CG ASP A 37 -22.277 22.930 -15.381 1.00 23.42 C ATOM 567 OD1 ASP A 37 -22.968 23.395 -14.450 1.00 71.33 O ATOM 568 OD2 ASP A 37 -22.673 22.867 -16.563 1.00 61.52 O ATOM 0 H ASP A 37 -18.855 21.634 -13.906 1.00 30.12 H new ATOM 0 HA ASP A 37 -21.563 21.495 -13.240 1.00 50.24 H new ATOM 0 HB2 ASP A 37 -20.292 23.228 -14.640 1.00 43.11 H new ATOM 0 HB3 ASP A 37 -20.396 22.104 -15.980 1.00 43.11 H new ATOM 573 N LEU A 38 -20.553 19.154 -15.250 1.00 0.54 N ATOM 574 CA LEU A 38 -20.944 17.925 -15.931 1.00 13.14 C ATOM 575 C LEU A 38 -21.486 16.901 -14.938 1.00 4.41 C ATOM 576 O LEU A 38 -22.564 16.341 -15.135 1.00 63.41 O ATOM 577 CB LEU A 38 -19.753 17.337 -16.688 1.00 44.03 C ATOM 578 CG LEU A 38 -19.565 17.823 -18.126 1.00 12.11 C ATOM 579 CD1 LEU A 38 -20.785 17.481 -18.968 1.00 45.41 C ATOM 580 CD2 LEU A 38 -19.300 19.321 -18.152 1.00 5.20 C ATOM 0 H LEU A 38 -19.545 19.298 -15.186 1.00 0.54 H new ATOM 0 HA LEU A 38 -21.734 18.168 -16.642 1.00 13.14 H new ATOM 0 HB2 LEU A 38 -18.845 17.562 -16.128 1.00 44.03 H new ATOM 0 HB3 LEU A 38 -19.857 16.252 -16.703 1.00 44.03 H new ATOM 0 HG LEU A 38 -18.700 17.314 -18.552 1.00 12.11 H new ATOM 0 HD11 LEU A 38 -20.634 17.834 -19.988 1.00 45.41 H new ATOM 0 HD12 LEU A 38 -20.930 16.401 -18.976 1.00 45.41 H new ATOM 0 HD13 LEU A 38 -21.666 17.963 -18.544 1.00 45.41 H new ATOM 0 HD21 LEU A 38 -19.169 19.649 -19.183 1.00 5.20 H new ATOM 0 HD22 LEU A 38 -20.145 19.848 -17.708 1.00 5.20 H new ATOM 0 HD23 LEU A 38 -18.396 19.541 -17.583 1.00 5.20 H new ATOM 592 N ASP A 39 -20.732 16.664 -13.870 1.00 44.42 N ATOM 593 CA ASP A 39 -21.137 15.711 -12.844 1.00 71.42 C ATOM 594 C ASP A 39 -21.036 16.332 -11.454 1.00 64.55 C ATOM 595 O ASP A 39 -20.001 16.887 -11.086 1.00 25.00 O ATOM 596 CB ASP A 39 -20.272 14.451 -12.918 1.00 54.21 C ATOM 597 CG ASP A 39 -20.906 13.363 -13.762 1.00 63.22 C ATOM 598 OD1 ASP A 39 -22.146 13.225 -13.720 1.00 34.24 O ATOM 599 OD2 ASP A 39 -20.161 12.649 -14.466 1.00 41.50 O ATOM 0 H ASP A 39 -19.837 17.119 -13.693 1.00 44.42 H new ATOM 0 HA ASP A 39 -22.177 15.440 -13.026 1.00 71.42 H new ATOM 0 HB2 ASP A 39 -19.297 14.707 -13.333 1.00 54.21 H new ATOM 0 HB3 ASP A 39 -20.100 14.072 -11.911 1.00 54.21 H new ATOM 604 N ASP A 40 -22.117 16.234 -10.688 1.00 45.34 N ATOM 605 CA ASP A 40 -22.150 16.786 -9.339 1.00 45.41 C ATOM 606 C ASP A 40 -21.198 16.028 -8.418 1.00 52.44 C ATOM 607 O ASP A 40 -20.764 16.551 -7.392 1.00 14.14 O ATOM 608 CB ASP A 40 -23.572 16.734 -8.778 1.00 45.13 C ATOM 609 CG ASP A 40 -24.609 17.184 -9.788 1.00 70.22 C ATOM 610 OD1 ASP A 40 -24.738 18.407 -10.001 1.00 1.40 O ATOM 611 OD2 ASP A 40 -25.293 16.312 -10.365 1.00 42.21 O ATOM 0 H ASP A 40 -22.982 15.778 -10.978 1.00 45.34 H new ATOM 0 HA ASP A 40 -21.826 17.826 -9.390 1.00 45.41 H new ATOM 0 HB2 ASP A 40 -23.797 15.716 -8.459 1.00 45.13 H new ATOM 0 HB3 ASP A 40 -23.633 17.366 -7.892 1.00 45.13 H new ATOM 616 N ARG A 41 -20.879 14.794 -8.793 1.00 30.23 N ATOM 617 CA ARG A 41 -19.981 13.963 -7.999 1.00 51.14 C ATOM 618 C ARG A 41 -18.551 14.054 -8.524 1.00 30.03 C ATOM 619 O ARG A 41 -17.772 13.108 -8.401 1.00 53.41 O ATOM 620 CB ARG A 41 -20.450 12.507 -8.017 1.00 14.14 C ATOM 621 CG ARG A 41 -20.404 11.869 -9.395 1.00 72.42 C ATOM 622 CD ARG A 41 -20.798 10.401 -9.343 1.00 23.33 C ATOM 623 NE ARG A 41 -20.832 9.795 -10.671 1.00 52.43 N ATOM 624 CZ ARG A 41 -21.834 9.960 -11.528 1.00 44.43 C ATOM 625 NH1 ARG A 41 -22.877 10.708 -11.198 1.00 12.45 N ATOM 626 NH2 ARG A 41 -21.792 9.377 -12.719 1.00 72.13 N ATOM 0 H ARG A 41 -21.228 14.347 -9.641 1.00 30.23 H new ATOM 0 HA ARG A 41 -19.998 14.330 -6.973 1.00 51.14 H new ATOM 0 HB2 ARG A 41 -19.828 11.926 -7.336 1.00 14.14 H new ATOM 0 HB3 ARG A 41 -21.471 12.458 -7.637 1.00 14.14 H new ATOM 0 HG2 ARG A 41 -21.075 12.403 -10.067 1.00 72.42 H new ATOM 0 HG3 ARG A 41 -19.399 11.963 -9.807 1.00 72.42 H new ATOM 0 HD2 ARG A 41 -20.091 9.858 -8.715 1.00 23.33 H new ATOM 0 HD3 ARG A 41 -21.778 10.305 -8.876 1.00 23.33 H new ATOM 0 HE ARG A 41 -20.044 9.214 -10.956 1.00 52.43 H new ATOM 0 HH11 ARG A 41 -22.912 11.159 -10.284 1.00 12.45 H new ATOM 0 HH12 ARG A 41 -23.644 10.833 -11.858 1.00 12.45 H new ATOM 0 HH21 ARG A 41 -20.990 8.802 -12.977 1.00 72.13 H new ATOM 0 HH22 ARG A 41 -22.561 9.504 -13.376 1.00 72.13 H new ATOM 640 N VAL A 42 -18.212 15.198 -9.109 1.00 54.41 N ATOM 641 CA VAL A 42 -16.876 15.414 -9.652 1.00 34.43 C ATOM 642 C VAL A 42 -16.326 16.773 -9.234 1.00 61.52 C ATOM 643 O VAL A 42 -17.008 17.791 -9.347 1.00 2.54 O ATOM 644 CB VAL A 42 -16.873 15.321 -11.189 1.00 54.12 C ATOM 645 CG1 VAL A 42 -15.480 15.589 -11.738 1.00 32.33 C ATOM 646 CG2 VAL A 42 -17.381 13.960 -11.642 1.00 13.43 C ATOM 0 H VAL A 42 -18.845 15.990 -9.219 1.00 54.41 H new ATOM 0 HA VAL A 42 -16.239 14.628 -9.247 1.00 34.43 H new ATOM 0 HB VAL A 42 -17.545 16.083 -11.583 1.00 54.12 H new ATOM 0 HG11 VAL A 42 -15.498 15.519 -12.826 1.00 32.33 H new ATOM 0 HG12 VAL A 42 -15.159 16.588 -11.444 1.00 32.33 H new ATOM 0 HG13 VAL A 42 -14.783 14.852 -11.338 1.00 32.33 H new ATOM 0 HG21 VAL A 42 -17.372 13.912 -12.731 1.00 13.43 H new ATOM 0 HG22 VAL A 42 -16.737 13.179 -11.239 1.00 13.43 H new ATOM 0 HG23 VAL A 42 -18.399 13.813 -11.281 1.00 13.43 H new ATOM 656 N TYR A 43 -15.088 16.780 -8.752 1.00 50.44 N ATOM 657 CA TYR A 43 -14.446 18.014 -8.316 1.00 4.32 C ATOM 658 C TYR A 43 -12.997 18.072 -8.792 1.00 13.52 C ATOM 659 O TYR A 43 -12.235 17.123 -8.613 1.00 10.11 O ATOM 660 CB TYR A 43 -14.498 18.130 -6.791 1.00 71.34 C ATOM 661 CG TYR A 43 -15.808 18.677 -6.270 1.00 44.54 C ATOM 662 CD1 TYR A 43 -16.918 17.855 -6.123 1.00 2.41 C ATOM 663 CD2 TYR A 43 -15.934 20.017 -5.925 1.00 0.44 C ATOM 664 CE1 TYR A 43 -18.116 18.352 -5.648 1.00 12.00 C ATOM 665 CE2 TYR A 43 -17.128 20.522 -5.447 1.00 51.35 C ATOM 666 CZ TYR A 43 -18.216 19.686 -5.311 1.00 73.14 C ATOM 667 OH TYR A 43 -19.408 20.184 -4.837 1.00 0.13 O ATOM 0 H TYR A 43 -14.510 15.946 -8.654 1.00 50.44 H new ATOM 0 HA TYR A 43 -14.988 18.851 -8.756 1.00 4.32 H new ATOM 0 HB2 TYR A 43 -14.325 17.147 -6.354 1.00 71.34 H new ATOM 0 HB3 TYR A 43 -13.686 18.775 -6.456 1.00 71.34 H new ATOM 0 HD1 TYR A 43 -16.843 16.810 -6.384 1.00 2.41 H new ATOM 0 HD2 TYR A 43 -15.084 20.675 -6.032 1.00 0.44 H new ATOM 0 HE1 TYR A 43 -18.970 17.700 -5.541 1.00 12.00 H new ATOM 0 HE2 TYR A 43 -17.209 21.566 -5.181 1.00 51.35 H new ATOM 0 HH TYR A 43 -19.880 19.484 -4.339 1.00 0.13 H new ATOM 677 N MET A 44 -12.625 19.195 -9.399 1.00 34.24 N ATOM 678 CA MET A 44 -11.268 19.379 -9.899 1.00 72.12 C ATOM 679 C MET A 44 -10.413 20.136 -8.887 1.00 75.44 C ATOM 680 O MET A 44 -10.712 21.278 -8.539 1.00 31.25 O ATOM 681 CB MET A 44 -11.290 20.133 -11.230 1.00 75.44 C ATOM 682 CG MET A 44 -11.973 21.488 -11.150 1.00 12.43 C ATOM 683 SD MET A 44 -13.382 21.624 -12.267 1.00 11.23 S ATOM 684 CE MET A 44 -12.997 23.155 -13.113 1.00 64.34 C ATOM 0 H MET A 44 -13.244 19.990 -9.556 1.00 34.24 H new ATOM 0 HA MET A 44 -10.828 18.394 -10.055 1.00 72.12 H new ATOM 0 HB2 MET A 44 -10.266 20.272 -11.577 1.00 75.44 H new ATOM 0 HB3 MET A 44 -11.799 19.522 -11.976 1.00 75.44 H new ATOM 0 HG2 MET A 44 -12.307 21.662 -10.127 1.00 12.43 H new ATOM 0 HG3 MET A 44 -11.250 22.269 -11.386 1.00 12.43 H new ATOM 0 HE1 MET A 44 -13.779 23.376 -13.840 1.00 64.34 H new ATOM 0 HE2 MET A 44 -12.936 23.966 -12.388 1.00 64.34 H new ATOM 0 HE3 MET A 44 -12.041 23.056 -13.627 1.00 64.34 H new ATOM 694 N VAL A 45 -9.349 19.491 -8.419 1.00 51.41 N ATOM 695 CA VAL A 45 -8.451 20.104 -7.448 1.00 2.12 C ATOM 696 C VAL A 45 -7.250 20.742 -8.136 1.00 44.34 C ATOM 697 O VAL A 45 -6.411 20.049 -8.713 1.00 73.35 O ATOM 698 CB VAL A 45 -7.951 19.074 -6.418 1.00 22.11 C ATOM 699 CG1 VAL A 45 -7.049 19.740 -5.390 1.00 43.34 C ATOM 700 CG2 VAL A 45 -9.126 18.385 -5.741 1.00 23.33 C ATOM 0 H VAL A 45 -9.088 18.545 -8.697 1.00 51.41 H new ATOM 0 HA VAL A 45 -9.022 20.876 -6.932 1.00 2.12 H new ATOM 0 HB VAL A 45 -7.367 18.317 -6.942 1.00 22.11 H new ATOM 0 HG11 VAL A 45 -6.706 18.996 -4.671 1.00 43.34 H new ATOM 0 HG12 VAL A 45 -6.189 20.182 -5.893 1.00 43.34 H new ATOM 0 HG13 VAL A 45 -7.605 20.519 -4.869 1.00 43.34 H new ATOM 0 HG21 VAL A 45 -8.755 17.660 -5.016 1.00 23.33 H new ATOM 0 HG22 VAL A 45 -9.738 19.128 -5.230 1.00 23.33 H new ATOM 0 HG23 VAL A 45 -9.728 17.872 -6.491 1.00 23.33 H new ATOM 710 N CYS A 46 -7.172 22.067 -8.071 1.00 74.34 N ATOM 711 CA CYS A 46 -6.073 22.800 -8.689 1.00 60.32 C ATOM 712 C CYS A 46 -4.925 22.990 -7.704 1.00 24.23 C ATOM 713 O CYS A 46 -5.047 23.729 -6.726 1.00 32.32 O ATOM 714 CB CYS A 46 -6.559 24.159 -9.193 1.00 42.44 C ATOM 715 SG CYS A 46 -7.380 24.099 -10.803 1.00 44.44 S ATOM 0 H CYS A 46 -7.857 22.655 -7.596 1.00 74.34 H new ATOM 0 HA CYS A 46 -5.709 22.216 -9.535 1.00 60.32 H new ATOM 0 HB2 CYS A 46 -7.248 24.581 -8.461 1.00 42.44 H new ATOM 0 HB3 CYS A 46 -5.708 24.837 -9.256 1.00 42.44 H new ATOM 0 HG CYS A 46 -6.608 23.502 -11.662 1.00 44.44 H new ATOM 721 N LEU A 47 -3.809 22.317 -7.966 1.00 54.53 N ATOM 722 CA LEU A 47 -2.638 22.411 -7.101 1.00 72.35 C ATOM 723 C LEU A 47 -1.828 23.665 -7.415 1.00 72.41 C ATOM 724 O LEU A 47 -1.880 24.188 -8.528 1.00 40.41 O ATOM 725 CB LEU A 47 -1.760 21.169 -7.263 1.00 70.34 C ATOM 726 CG LEU A 47 -2.471 19.822 -7.130 1.00 74.31 C ATOM 727 CD1 LEU A 47 -1.507 18.679 -7.408 1.00 11.11 C ATOM 728 CD2 LEU A 47 -3.087 19.678 -5.746 1.00 5.24 C ATOM 0 H LEU A 47 -3.691 21.701 -8.770 1.00 54.53 H new ATOM 0 HA LEU A 47 -2.983 22.473 -6.069 1.00 72.35 H new ATOM 0 HB2 LEU A 47 -1.284 21.211 -8.243 1.00 70.34 H new ATOM 0 HB3 LEU A 47 -0.964 21.212 -6.520 1.00 70.34 H new ATOM 0 HG LEU A 47 -3.272 19.782 -7.868 1.00 74.31 H new ATOM 0 HD11 LEU A 47 -2.031 17.729 -7.309 1.00 11.11 H new ATOM 0 HD12 LEU A 47 -1.114 18.772 -8.420 1.00 11.11 H new ATOM 0 HD13 LEU A 47 -0.684 18.716 -6.695 1.00 11.11 H new ATOM 0 HD21 LEU A 47 -3.589 18.713 -5.670 1.00 5.24 H new ATOM 0 HD22 LEU A 47 -2.304 19.740 -4.991 1.00 5.24 H new ATOM 0 HD23 LEU A 47 -3.811 20.477 -5.585 1.00 5.24 H new ATOM 740 N LYS A 48 -1.078 24.141 -6.427 1.00 31.40 N ATOM 741 CA LYS A 48 -0.253 25.331 -6.597 1.00 34.11 C ATOM 742 C LYS A 48 0.874 25.074 -7.592 1.00 54.43 C ATOM 743 O LYS A 48 1.524 24.031 -7.551 1.00 21.43 O ATOM 744 CB LYS A 48 0.330 25.769 -5.252 1.00 31.45 C ATOM 745 CG LYS A 48 -0.532 26.779 -4.515 1.00 31.04 C ATOM 746 CD LYS A 48 -0.182 26.838 -3.037 1.00 75.01 C ATOM 747 CE LYS A 48 -1.407 27.139 -2.186 1.00 62.12 C ATOM 748 NZ LYS A 48 -1.056 27.918 -0.966 1.00 75.51 N ATOM 0 H LYS A 48 -1.025 23.720 -5.499 1.00 31.40 H new ATOM 0 HA LYS A 48 -0.885 26.128 -6.989 1.00 34.11 H new ATOM 0 HB2 LYS A 48 0.465 24.891 -4.621 1.00 31.45 H new ATOM 0 HB3 LYS A 48 1.318 26.199 -5.417 1.00 31.45 H new ATOM 0 HG2 LYS A 48 -0.400 27.765 -4.961 1.00 31.04 H new ATOM 0 HG3 LYS A 48 -1.583 26.515 -4.631 1.00 31.04 H new ATOM 0 HD2 LYS A 48 0.253 25.888 -2.727 1.00 75.01 H new ATOM 0 HD3 LYS A 48 0.575 27.605 -2.871 1.00 75.01 H new ATOM 0 HE2 LYS A 48 -2.132 27.698 -2.778 1.00 62.12 H new ATOM 0 HE3 LYS A 48 -1.886 26.204 -1.895 1.00 62.12 H new ATOM 0 HZ1 LYS A 48 -1.917 28.103 -0.413 1.00 75.51 H new ATOM 0 HZ2 LYS A 48 -0.383 27.374 -0.388 1.00 75.51 H new ATOM 0 HZ3 LYS A 48 -0.622 28.821 -1.244 1.00 75.51 H new ATOM 762 N GLN A 49 1.099 26.034 -8.484 1.00 60.32 N ATOM 763 CA GLN A 49 2.148 25.911 -9.489 1.00 64.40 C ATOM 764 C GLN A 49 3.513 25.735 -8.832 1.00 24.21 C ATOM 765 O GLN A 49 4.049 26.666 -8.232 1.00 64.33 O ATOM 766 CB GLN A 49 2.161 27.141 -10.397 1.00 41.42 C ATOM 767 CG GLN A 49 1.037 27.154 -11.421 1.00 0.15 C ATOM 768 CD GLN A 49 -0.223 27.814 -10.895 1.00 61.44 C ATOM 769 OE1 GLN A 49 -0.254 28.310 -9.769 1.00 34.21 O ATOM 770 NE2 GLN A 49 -1.271 27.823 -11.711 1.00 23.30 N ATOM 0 H GLN A 49 0.569 26.904 -8.531 1.00 60.32 H new ATOM 0 HA GLN A 49 1.938 25.027 -10.091 1.00 64.40 H new ATOM 0 HB2 GLN A 49 2.090 28.038 -9.781 1.00 41.42 H new ATOM 0 HB3 GLN A 49 3.117 27.187 -10.919 1.00 41.42 H new ATOM 0 HG2 GLN A 49 1.372 27.679 -12.316 1.00 0.15 H new ATOM 0 HG3 GLN A 49 0.810 26.130 -11.719 1.00 0.15 H new ATOM 0 HE21 GLN A 49 -1.200 27.400 -12.636 1.00 23.30 H new ATOM 0 HE22 GLN A 49 -2.146 28.253 -11.412 1.00 23.30 H new ATOM 779 N GLY A 50 4.071 24.533 -8.949 1.00 11.32 N ATOM 780 CA GLY A 50 5.369 24.257 -8.361 1.00 14.24 C ATOM 781 C GLY A 50 5.280 23.311 -7.180 1.00 24.22 C ATOM 782 O GLY A 50 6.283 23.035 -6.520 1.00 54.24 O ATOM 0 H GLY A 50 3.647 23.746 -9.440 1.00 11.32 H new ATOM 0 HA2 GLY A 50 6.024 23.827 -9.119 1.00 14.24 H new ATOM 0 HA3 GLY A 50 5.825 25.193 -8.039 1.00 14.24 H new ATOM 786 N SER A 51 4.078 22.813 -6.911 1.00 14.11 N ATOM 787 CA SER A 51 3.861 21.896 -5.798 1.00 1.33 C ATOM 788 C SER A 51 3.512 20.500 -6.304 1.00 1.02 C ATOM 789 O SER A 51 3.190 20.314 -7.478 1.00 14.22 O ATOM 790 CB SER A 51 2.744 22.416 -4.891 1.00 1.51 C ATOM 791 OG SER A 51 3.039 23.718 -4.414 1.00 73.10 O ATOM 0 H SER A 51 3.239 23.029 -7.449 1.00 14.11 H new ATOM 0 HA SER A 51 4.786 21.835 -5.225 1.00 1.33 H new ATOM 0 HB2 SER A 51 1.803 22.431 -5.440 1.00 1.51 H new ATOM 0 HB3 SER A 51 2.610 21.738 -4.048 1.00 1.51 H new ATOM 0 HG SER A 51 2.309 24.029 -3.838 1.00 73.10 H new ATOM 797 N THR A 52 3.579 19.519 -5.409 1.00 1.10 N ATOM 798 CA THR A 52 3.272 18.139 -5.763 1.00 51.12 C ATOM 799 C THR A 52 2.496 17.445 -4.650 1.00 11.35 C ATOM 800 O THR A 52 3.000 17.279 -3.538 1.00 53.44 O ATOM 801 CB THR A 52 4.553 17.336 -6.058 1.00 0.31 C ATOM 802 OG1 THR A 52 5.260 17.927 -7.155 1.00 33.45 O ATOM 803 CG2 THR A 52 4.221 15.888 -6.383 1.00 22.33 C ATOM 0 H THR A 52 3.843 19.655 -4.433 1.00 1.10 H new ATOM 0 HA THR A 52 2.658 18.173 -6.663 1.00 51.12 H new ATOM 0 HB THR A 52 5.182 17.357 -5.168 1.00 0.31 H new ATOM 0 HG1 THR A 52 6.074 17.412 -7.335 1.00 33.45 H new ATOM 0 HG21 THR A 52 5.141 15.341 -6.588 1.00 22.33 H new ATOM 0 HG22 THR A 52 3.709 15.433 -5.535 1.00 22.33 H new ATOM 0 HG23 THR A 52 3.574 15.851 -7.260 1.00 22.33 H new ATOM 811 N PHE A 53 1.267 17.041 -4.954 1.00 62.10 N ATOM 812 CA PHE A 53 0.421 16.365 -3.978 1.00 21.42 C ATOM 813 C PHE A 53 0.808 14.894 -3.848 1.00 43.33 C ATOM 814 O PHE A 53 0.451 14.070 -4.690 1.00 32.01 O ATOM 815 CB PHE A 53 -1.051 16.483 -4.379 1.00 21.55 C ATOM 816 CG PHE A 53 -2.003 16.207 -3.250 1.00 73.02 C ATOM 817 CD1 PHE A 53 -2.095 14.940 -2.697 1.00 61.13 C ATOM 818 CD2 PHE A 53 -2.807 17.215 -2.743 1.00 73.00 C ATOM 819 CE1 PHE A 53 -2.970 14.683 -1.659 1.00 30.14 C ATOM 820 CE2 PHE A 53 -3.684 16.964 -1.704 1.00 41.13 C ATOM 821 CZ PHE A 53 -3.766 15.696 -1.162 1.00 53.33 C ATOM 0 H PHE A 53 0.835 17.170 -5.869 1.00 62.10 H new ATOM 0 HA PHE A 53 0.567 16.848 -3.012 1.00 21.42 H new ATOM 0 HB2 PHE A 53 -1.236 17.486 -4.763 1.00 21.55 H new ATOM 0 HB3 PHE A 53 -1.254 15.788 -5.194 1.00 21.55 H new ATOM 0 HD1 PHE A 53 -1.475 14.144 -3.082 1.00 61.13 H new ATOM 0 HD2 PHE A 53 -2.748 18.208 -3.164 1.00 73.00 H new ATOM 0 HE1 PHE A 53 -3.031 13.691 -1.237 1.00 30.14 H new ATOM 0 HE2 PHE A 53 -4.304 17.759 -1.316 1.00 41.13 H new ATOM 0 HZ PHE A 53 -4.451 15.497 -0.351 1.00 53.33 H new ATOM 831 N VAL A 54 1.543 14.573 -2.788 1.00 15.02 N ATOM 832 CA VAL A 54 1.979 13.203 -2.547 1.00 33.14 C ATOM 833 C VAL A 54 1.186 12.566 -1.410 1.00 64.14 C ATOM 834 O VAL A 54 0.843 13.229 -0.430 1.00 61.54 O ATOM 835 CB VAL A 54 3.480 13.143 -2.207 1.00 51.23 C ATOM 836 CG1 VAL A 54 3.895 11.720 -1.869 1.00 31.51 C ATOM 837 CG2 VAL A 54 4.308 13.689 -3.361 1.00 24.14 C ATOM 0 H VAL A 54 1.849 15.243 -2.083 1.00 15.02 H new ATOM 0 HA VAL A 54 1.800 12.647 -3.468 1.00 33.14 H new ATOM 0 HB VAL A 54 3.662 13.766 -1.331 1.00 51.23 H new ATOM 0 HG11 VAL A 54 4.959 11.698 -1.632 1.00 31.51 H new ATOM 0 HG12 VAL A 54 3.324 11.369 -1.009 1.00 31.51 H new ATOM 0 HG13 VAL A 54 3.700 11.072 -2.723 1.00 31.51 H new ATOM 0 HG21 VAL A 54 5.366 13.640 -3.105 1.00 24.14 H new ATOM 0 HG22 VAL A 54 4.123 13.094 -4.255 1.00 24.14 H new ATOM 0 HG23 VAL A 54 4.029 14.725 -3.551 1.00 24.14 H new ATOM 847 N LEU A 55 0.899 11.276 -1.548 1.00 1.25 N ATOM 848 CA LEU A 55 0.147 10.548 -0.532 1.00 20.32 C ATOM 849 C LEU A 55 0.980 9.410 0.051 1.00 13.41 C ATOM 850 O LEU A 55 1.162 8.373 -0.584 1.00 33.30 O ATOM 851 CB LEU A 55 -1.148 9.993 -1.128 1.00 11.33 C ATOM 852 CG LEU A 55 -2.176 11.030 -1.581 1.00 14.44 C ATOM 853 CD1 LEU A 55 -1.931 11.429 -3.028 1.00 30.14 C ATOM 854 CD2 LEU A 55 -3.589 10.492 -1.406 1.00 11.21 C ATOM 0 H LEU A 55 1.175 10.713 -2.353 1.00 1.25 H new ATOM 0 HA LEU A 55 -0.098 11.243 0.271 1.00 20.32 H new ATOM 0 HB2 LEU A 55 -0.892 9.367 -1.983 1.00 11.33 H new ATOM 0 HB3 LEU A 55 -1.617 9.345 -0.387 1.00 11.33 H new ATOM 0 HG LEU A 55 -2.067 11.918 -0.958 1.00 14.44 H new ATOM 0 HD11 LEU A 55 -2.673 12.168 -3.332 1.00 30.14 H new ATOM 0 HD12 LEU A 55 -0.933 11.856 -3.124 1.00 30.14 H new ATOM 0 HD13 LEU A 55 -2.012 10.549 -3.667 1.00 30.14 H new ATOM 0 HD21 LEU A 55 -4.308 11.243 -1.733 1.00 11.21 H new ATOM 0 HD22 LEU A 55 -3.711 9.589 -2.004 1.00 11.21 H new ATOM 0 HD23 LEU A 55 -3.762 10.258 -0.355 1.00 11.21 H new ATOM 866 N ASN A 56 1.481 9.613 1.265 1.00 3.12 N ATOM 867 CA ASN A 56 2.293 8.604 1.935 1.00 64.31 C ATOM 868 C ASN A 56 1.542 7.280 2.035 1.00 61.42 C ATOM 869 O ASN A 56 2.149 6.210 2.064 1.00 3.05 O ATOM 870 CB ASN A 56 2.691 9.084 3.332 1.00 21.11 C ATOM 871 CG ASN A 56 3.998 9.853 3.329 1.00 63.31 C ATOM 872 OD1 ASN A 56 4.803 9.726 2.406 1.00 42.50 O ATOM 873 ND2 ASN A 56 4.215 10.655 4.365 1.00 64.41 N ATOM 0 H ASN A 56 1.339 10.467 1.805 1.00 3.12 H new ATOM 0 HA ASN A 56 3.194 8.447 1.342 1.00 64.31 H new ATOM 0 HB2 ASN A 56 1.901 9.718 3.734 1.00 21.11 H new ATOM 0 HB3 ASN A 56 2.780 8.225 3.997 1.00 21.11 H new ATOM 0 HD21 ASN A 56 5.077 11.197 4.418 1.00 64.41 H new ATOM 0 HD22 ASN A 56 3.519 10.729 5.107 1.00 64.41 H new ATOM 880 N GLY A 57 0.216 7.360 2.086 1.00 52.12 N ATOM 881 CA GLY A 57 -0.597 6.162 2.181 1.00 21.42 C ATOM 882 C GLY A 57 -1.420 5.918 0.932 1.00 42.13 C ATOM 883 O GLY A 57 -2.082 4.889 0.807 1.00 15.10 O ATOM 0 H GLY A 57 -0.310 8.234 2.063 1.00 52.12 H new ATOM 0 HA2 GLY A 57 0.048 5.302 2.361 1.00 21.42 H new ATOM 0 HA3 GLY A 57 -1.263 6.246 3.040 1.00 21.42 H new ATOM 887 N GLY A 58 -1.379 6.869 0.003 1.00 13.23 N ATOM 888 CA GLY A 58 -2.133 6.735 -1.230 1.00 23.13 C ATOM 889 C GLY A 58 -3.591 7.113 -1.062 1.00 32.50 C ATOM 890 O GLY A 58 -3.939 7.893 -0.176 1.00 1.44 O ATOM 0 H GLY A 58 -0.837 7.730 0.082 1.00 13.23 H new ATOM 0 HA2 GLY A 58 -1.684 7.365 -1.997 1.00 23.13 H new ATOM 0 HA3 GLY A 58 -2.066 5.706 -1.583 1.00 23.13 H new ATOM 894 N ILE A 59 -4.446 6.559 -1.916 1.00 2.14 N ATOM 895 CA ILE A 59 -5.874 6.843 -1.858 1.00 13.13 C ATOM 896 C ILE A 59 -6.548 6.047 -0.745 1.00 54.42 C ATOM 897 O ILE A 59 -7.606 6.432 -0.248 1.00 31.14 O ATOM 898 CB ILE A 59 -6.567 6.522 -3.195 1.00 62.13 C ATOM 899 CG1 ILE A 59 -5.783 7.131 -4.360 1.00 11.24 C ATOM 900 CG2 ILE A 59 -7.999 7.036 -3.187 1.00 62.42 C ATOM 901 CD1 ILE A 59 -5.630 8.633 -4.265 1.00 11.13 C ATOM 0 H ILE A 59 -4.174 5.911 -2.656 1.00 2.14 H new ATOM 0 HA ILE A 59 -5.975 7.909 -1.652 1.00 13.13 H new ATOM 0 HB ILE A 59 -6.591 5.440 -3.324 1.00 62.13 H new ATOM 0 HG12 ILE A 59 -4.794 6.675 -4.400 1.00 11.24 H new ATOM 0 HG13 ILE A 59 -6.286 6.883 -5.295 1.00 11.24 H new ATOM 0 HG21 ILE A 59 -8.475 6.801 -4.139 1.00 62.42 H new ATOM 0 HG22 ILE A 59 -8.552 6.560 -2.377 1.00 62.42 H new ATOM 0 HG23 ILE A 59 -7.997 8.116 -3.039 1.00 62.42 H new ATOM 0 HD11 ILE A 59 -5.064 8.996 -5.123 1.00 11.13 H new ATOM 0 HD12 ILE A 59 -6.615 9.099 -4.256 1.00 11.13 H new ATOM 0 HD13 ILE A 59 -5.100 8.887 -3.347 1.00 11.13 H new ATOM 913 N GLU A 60 -5.927 4.937 -0.359 1.00 13.30 N ATOM 914 CA GLU A 60 -6.467 4.088 0.696 1.00 15.01 C ATOM 915 C GLU A 60 -6.558 4.850 2.015 1.00 12.20 C ATOM 916 O GLU A 60 -7.572 4.789 2.710 1.00 41.32 O ATOM 917 CB GLU A 60 -5.598 2.842 0.873 1.00 20.45 C ATOM 918 CG GLU A 60 -5.439 2.024 -0.398 1.00 12.25 C ATOM 919 CD GLU A 60 -4.640 0.755 -0.179 1.00 24.43 C ATOM 920 OE1 GLU A 60 -3.923 0.672 0.840 1.00 3.54 O ATOM 921 OE2 GLU A 60 -4.731 -0.157 -1.027 1.00 73.23 O ATOM 0 H GLU A 60 -5.050 4.605 -0.761 1.00 13.30 H new ATOM 0 HA GLU A 60 -7.472 3.783 0.403 1.00 15.01 H new ATOM 0 HB2 GLU A 60 -4.612 3.144 1.226 1.00 20.45 H new ATOM 0 HB3 GLU A 60 -6.035 2.212 1.648 1.00 20.45 H new ATOM 0 HG2 GLU A 60 -6.425 1.766 -0.785 1.00 12.25 H new ATOM 0 HG3 GLU A 60 -4.947 2.632 -1.158 1.00 12.25 H new ATOM 928 N GLU A 61 -5.490 5.567 2.352 1.00 34.34 N ATOM 929 CA GLU A 61 -5.449 6.339 3.588 1.00 12.34 C ATOM 930 C GLU A 61 -6.356 7.563 3.495 1.00 3.43 C ATOM 931 O GLU A 61 -6.944 7.992 4.489 1.00 24.23 O ATOM 932 CB GLU A 61 -4.015 6.775 3.896 1.00 51.32 C ATOM 933 CG GLU A 61 -3.538 7.942 3.047 1.00 73.43 C ATOM 934 CD GLU A 61 -3.811 9.285 3.695 1.00 52.12 C ATOM 935 OE1 GLU A 61 -3.355 9.495 4.838 1.00 32.14 O ATOM 936 OE2 GLU A 61 -4.480 10.126 3.059 1.00 35.02 O ATOM 0 H GLU A 61 -4.643 5.629 1.787 1.00 34.34 H new ATOM 0 HA GLU A 61 -5.809 5.702 4.396 1.00 12.34 H new ATOM 0 HB2 GLU A 61 -3.946 7.050 4.948 1.00 51.32 H new ATOM 0 HB3 GLU A 61 -3.346 5.928 3.743 1.00 51.32 H new ATOM 0 HG2 GLU A 61 -2.468 7.841 2.866 1.00 73.43 H new ATOM 0 HG3 GLU A 61 -4.031 7.905 2.075 1.00 73.43 H new ATOM 943 N LEU A 62 -6.463 8.122 2.295 1.00 55.20 N ATOM 944 CA LEU A 62 -7.298 9.298 2.070 1.00 23.25 C ATOM 945 C LEU A 62 -8.776 8.952 2.215 1.00 72.11 C ATOM 946 O LEU A 62 -9.546 9.709 2.806 1.00 52.32 O ATOM 947 CB LEU A 62 -7.031 9.879 0.681 1.00 74.54 C ATOM 948 CG LEU A 62 -7.329 11.368 0.507 1.00 14.22 C ATOM 949 CD1 LEU A 62 -6.783 11.871 -0.820 1.00 75.12 C ATOM 950 CD2 LEU A 62 -8.826 11.627 0.603 1.00 1.40 C ATOM 0 H LEU A 62 -5.982 7.781 1.463 1.00 55.20 H new ATOM 0 HA LEU A 62 -7.044 10.044 2.823 1.00 23.25 H new ATOM 0 HB2 LEU A 62 -5.984 9.707 0.433 1.00 74.54 H new ATOM 0 HB3 LEU A 62 -7.626 9.323 -0.044 1.00 74.54 H new ATOM 0 HG LEU A 62 -6.834 11.914 1.310 1.00 14.22 H new ATOM 0 HD11 LEU A 62 -7.005 12.933 -0.926 1.00 75.12 H new ATOM 0 HD12 LEU A 62 -5.704 11.721 -0.850 1.00 75.12 H new ATOM 0 HD13 LEU A 62 -7.248 11.320 -1.637 1.00 75.12 H new ATOM 0 HD21 LEU A 62 -9.020 12.692 0.477 1.00 1.40 H new ATOM 0 HD22 LEU A 62 -9.343 11.069 -0.178 1.00 1.40 H new ATOM 0 HD23 LEU A 62 -9.189 11.305 1.579 1.00 1.40 H new ATOM 962 N ARG A 63 -9.165 7.802 1.673 1.00 14.50 N ATOM 963 CA ARG A 63 -10.551 7.356 1.742 1.00 34.35 C ATOM 964 C ARG A 63 -11.007 7.220 3.192 1.00 11.44 C ATOM 965 O ARG A 63 -12.128 7.595 3.540 1.00 71.43 O ATOM 966 CB ARG A 63 -10.715 6.018 1.018 1.00 13.23 C ATOM 967 CG ARG A 63 -10.758 6.147 -0.496 1.00 34.54 C ATOM 968 CD ARG A 63 -10.180 4.915 -1.176 1.00 15.32 C ATOM 969 NE ARG A 63 -10.836 3.687 -0.734 1.00 11.42 N ATOM 970 CZ ARG A 63 -10.794 2.546 -1.413 1.00 0.53 C ATOM 971 NH1 ARG A 63 -10.131 2.477 -2.559 1.00 5.24 N ATOM 972 NH2 ARG A 63 -11.416 1.472 -0.945 1.00 61.54 N ATOM 0 H ARG A 63 -8.540 7.163 1.182 1.00 14.50 H new ATOM 0 HA ARG A 63 -11.172 8.106 1.252 1.00 34.35 H new ATOM 0 HB2 ARG A 63 -9.891 5.361 1.295 1.00 13.23 H new ATOM 0 HB3 ARG A 63 -11.633 5.539 1.360 1.00 13.23 H new ATOM 0 HG2 ARG A 63 -11.788 6.294 -0.821 1.00 34.54 H new ATOM 0 HG3 ARG A 63 -10.198 7.030 -0.803 1.00 34.54 H new ATOM 0 HD2 ARG A 63 -10.286 5.014 -2.256 1.00 15.32 H new ATOM 0 HD3 ARG A 63 -9.112 4.852 -0.965 1.00 15.32 H new ATOM 0 HE ARG A 63 -11.355 3.707 0.144 1.00 11.42 H new ATOM 0 HH11 ARG A 63 -9.652 3.301 -2.921 1.00 5.24 H new ATOM 0 HH12 ARG A 63 -10.100 1.600 -3.078 1.00 5.24 H new ATOM 0 HH21 ARG A 63 -11.927 1.522 -0.064 1.00 61.54 H new ATOM 0 HH22 ARG A 63 -11.384 0.596 -1.467 1.00 61.54 H new ATOM 986 N LEU A 64 -10.131 6.683 4.034 1.00 34.05 N ATOM 987 CA LEU A 64 -10.443 6.498 5.447 1.00 33.55 C ATOM 988 C LEU A 64 -10.634 7.841 6.144 1.00 54.12 C ATOM 989 O LEU A 64 -11.516 7.994 6.990 1.00 32.12 O ATOM 990 CB LEU A 64 -9.330 5.707 6.136 1.00 25.03 C ATOM 991 CG LEU A 64 -9.226 4.228 5.762 1.00 42.11 C ATOM 992 CD1 LEU A 64 -7.946 3.625 6.319 1.00 20.24 C ATOM 993 CD2 LEU A 64 -10.441 3.464 6.266 1.00 74.21 C ATOM 0 H LEU A 64 -9.199 6.368 3.763 1.00 34.05 H new ATOM 0 HA LEU A 64 -11.376 5.938 5.517 1.00 33.55 H new ATOM 0 HB2 LEU A 64 -8.378 6.186 5.909 1.00 25.03 H new ATOM 0 HB3 LEU A 64 -9.474 5.779 7.214 1.00 25.03 H new ATOM 0 HG LEU A 64 -9.197 4.149 4.675 1.00 42.11 H new ATOM 0 HD11 LEU A 64 -7.890 2.572 6.043 1.00 20.24 H new ATOM 0 HD12 LEU A 64 -7.086 4.154 5.909 1.00 20.24 H new ATOM 0 HD13 LEU A 64 -7.944 3.716 7.405 1.00 20.24 H new ATOM 0 HD21 LEU A 64 -10.350 2.413 5.991 1.00 74.21 H new ATOM 0 HD22 LEU A 64 -10.501 3.551 7.351 1.00 74.21 H new ATOM 0 HD23 LEU A 64 -11.344 3.879 5.818 1.00 74.21 H new ATOM 1005 N LEU A 65 -9.805 8.813 5.781 1.00 25.20 N ATOM 1006 CA LEU A 65 -9.883 10.145 6.369 1.00 12.52 C ATOM 1007 C LEU A 65 -11.294 10.713 6.245 1.00 24.14 C ATOM 1008 O LEU A 65 -12.038 10.775 7.224 1.00 12.24 O ATOM 1009 CB LEU A 65 -8.883 11.083 5.692 1.00 44.34 C ATOM 1010 CG LEU A 65 -7.558 11.296 6.426 1.00 34.01 C ATOM 1011 CD1 LEU A 65 -6.530 11.927 5.501 1.00 50.44 C ATOM 1012 CD2 LEU A 65 -7.767 12.158 7.662 1.00 2.44 C ATOM 0 H LEU A 65 -9.071 8.703 5.082 1.00 25.20 H new ATOM 0 HA LEU A 65 -9.635 10.063 7.427 1.00 12.52 H new ATOM 0 HB2 LEU A 65 -8.666 10.693 4.698 1.00 44.34 H new ATOM 0 HB3 LEU A 65 -9.360 12.054 5.557 1.00 44.34 H new ATOM 0 HG LEU A 65 -7.180 10.324 6.744 1.00 34.01 H new ATOM 0 HD11 LEU A 65 -5.594 12.071 6.041 1.00 50.44 H new ATOM 0 HD12 LEU A 65 -6.359 11.272 4.647 1.00 50.44 H new ATOM 0 HD13 LEU A 65 -6.899 12.891 5.151 1.00 50.44 H new ATOM 0 HD21 LEU A 65 -6.814 12.300 8.172 1.00 2.44 H new ATOM 0 HD22 LEU A 65 -8.168 13.128 7.366 1.00 2.44 H new ATOM 0 HD23 LEU A 65 -8.469 11.665 8.335 1.00 2.44 H new ATOM 1024 N THR A 66 -11.656 11.125 5.034 1.00 33.44 N ATOM 1025 CA THR A 66 -12.977 11.686 4.782 1.00 74.33 C ATOM 1026 C THR A 66 -14.076 10.723 5.218 1.00 52.15 C ATOM 1027 O THR A 66 -15.181 11.141 5.560 1.00 54.22 O ATOM 1028 CB THR A 66 -13.168 12.024 3.291 1.00 34.11 C ATOM 1029 OG1 THR A 66 -14.532 12.384 3.041 1.00 4.13 O ATOM 1030 CG2 THR A 66 -12.782 10.842 2.414 1.00 1.43 C ATOM 0 H THR A 66 -11.053 11.081 4.213 1.00 33.44 H new ATOM 0 HA THR A 66 -13.048 12.603 5.367 1.00 74.33 H new ATOM 0 HB THR A 66 -12.519 12.865 3.046 1.00 34.11 H new ATOM 0 HG1 THR A 66 -14.614 12.743 2.133 1.00 4.13 H new ATOM 0 HG21 THR A 66 -12.925 11.105 1.366 1.00 1.43 H new ATOM 0 HG22 THR A 66 -11.736 10.589 2.585 1.00 1.43 H new ATOM 0 HG23 THR A 66 -13.408 9.985 2.662 1.00 1.43 H new ATOM 1038 N GLY A 67 -13.764 9.431 5.203 1.00 35.42 N ATOM 1039 CA GLY A 67 -14.736 8.429 5.600 1.00 75.42 C ATOM 1040 C GLY A 67 -15.514 7.877 4.422 1.00 71.25 C ATOM 1041 O GLY A 67 -16.673 7.486 4.562 1.00 12.51 O ATOM 0 H GLY A 67 -12.856 9.060 4.923 1.00 35.42 H new ATOM 0 HA2 GLY A 67 -14.224 7.612 6.108 1.00 75.42 H new ATOM 0 HA3 GLY A 67 -15.431 8.865 6.318 1.00 75.42 H new ATOM 1045 N ASP A 68 -14.877 7.846 3.257 1.00 64.55 N ATOM 1046 CA ASP A 68 -15.516 7.338 2.048 1.00 12.02 C ATOM 1047 C ASP A 68 -14.548 6.478 1.241 1.00 14.41 C ATOM 1048 O ASP A 68 -13.464 6.928 0.870 1.00 12.23 O ATOM 1049 CB ASP A 68 -16.026 8.497 1.190 1.00 21.01 C ATOM 1050 CG ASP A 68 -17.215 8.105 0.335 1.00 64.12 C ATOM 1051 OD1 ASP A 68 -18.359 8.226 0.819 1.00 31.31 O ATOM 1052 OD2 ASP A 68 -17.000 7.676 -0.819 1.00 14.52 O ATOM 0 H ASP A 68 -13.918 8.167 3.124 1.00 64.55 H new ATOM 0 HA ASP A 68 -16.361 6.718 2.347 1.00 12.02 H new ATOM 0 HB2 ASP A 68 -16.306 9.328 1.837 1.00 21.01 H new ATOM 0 HB3 ASP A 68 -15.220 8.851 0.547 1.00 21.01 H new ATOM 1057 N SER A 69 -14.947 5.239 0.973 1.00 15.14 N ATOM 1058 CA SER A 69 -14.113 4.315 0.215 1.00 74.45 C ATOM 1059 C SER A 69 -14.223 4.588 -1.283 1.00 32.45 C ATOM 1060 O SER A 69 -13.319 4.263 -2.053 1.00 51.44 O ATOM 1061 CB SER A 69 -14.517 2.869 0.512 1.00 42.12 C ATOM 1062 OG SER A 69 -14.245 2.531 1.861 1.00 64.34 O ATOM 0 H SER A 69 -15.843 4.852 1.270 1.00 15.14 H new ATOM 0 HA SER A 69 -13.077 4.465 0.520 1.00 74.45 H new ATOM 0 HB2 SER A 69 -15.579 2.735 0.307 1.00 42.12 H new ATOM 0 HB3 SER A 69 -13.977 2.194 -0.152 1.00 42.12 H new ATOM 0 HG SER A 69 -14.513 1.603 2.026 1.00 64.34 H new ATOM 1068 N THR A 70 -15.339 5.187 -1.688 1.00 64.33 N ATOM 1069 CA THR A 70 -15.569 5.503 -3.092 1.00 40.01 C ATOM 1070 C THR A 70 -14.665 6.640 -3.555 1.00 71.22 C ATOM 1071 O THR A 70 -14.461 6.835 -4.754 1.00 44.21 O ATOM 1072 CB THR A 70 -17.037 5.894 -3.346 1.00 71.33 C ATOM 1073 OG1 THR A 70 -17.899 5.156 -2.473 1.00 22.43 O ATOM 1074 CG2 THR A 70 -17.425 5.628 -4.793 1.00 71.20 C ATOM 0 H THR A 70 -16.097 5.463 -1.064 1.00 64.33 H new ATOM 0 HA THR A 70 -15.336 4.603 -3.661 1.00 40.01 H new ATOM 0 HB THR A 70 -17.145 6.960 -3.147 1.00 71.33 H new ATOM 0 HG1 THR A 70 -18.830 5.412 -2.640 1.00 22.43 H new ATOM 0 HG21 THR A 70 -18.466 5.912 -4.949 1.00 71.20 H new ATOM 0 HG22 THR A 70 -16.786 6.214 -5.454 1.00 71.20 H new ATOM 0 HG23 THR A 70 -17.301 4.568 -5.014 1.00 71.20 H new ATOM 1082 N LEU A 71 -14.125 7.387 -2.599 1.00 13.13 N ATOM 1083 CA LEU A 71 -13.241 8.505 -2.909 1.00 13.42 C ATOM 1084 C LEU A 71 -12.070 8.050 -3.774 1.00 13.32 C ATOM 1085 O LEU A 71 -11.242 7.250 -3.342 1.00 30.45 O ATOM 1086 CB LEU A 71 -12.720 9.142 -1.619 1.00 73.01 C ATOM 1087 CG LEU A 71 -11.801 10.351 -1.791 1.00 43.55 C ATOM 1088 CD1 LEU A 71 -12.051 11.373 -0.693 1.00 50.11 C ATOM 1089 CD2 LEU A 71 -10.343 9.916 -1.796 1.00 5.54 C ATOM 0 H LEU A 71 -14.284 7.239 -1.602 1.00 13.13 H new ATOM 0 HA LEU A 71 -13.814 9.245 -3.467 1.00 13.42 H new ATOM 0 HB2 LEU A 71 -13.576 9.444 -1.015 1.00 73.01 H new ATOM 0 HB3 LEU A 71 -12.184 8.381 -1.053 1.00 73.01 H new ATOM 0 HG LEU A 71 -12.023 10.818 -2.750 1.00 43.55 H new ATOM 0 HD11 LEU A 71 -11.387 12.226 -0.832 1.00 50.11 H new ATOM 0 HD12 LEU A 71 -13.087 11.708 -0.737 1.00 50.11 H new ATOM 0 HD13 LEU A 71 -11.858 10.918 0.278 1.00 50.11 H new ATOM 0 HD21 LEU A 71 -9.703 10.790 -1.919 1.00 5.54 H new ATOM 0 HD22 LEU A 71 -10.107 9.424 -0.853 1.00 5.54 H new ATOM 0 HD23 LEU A 71 -10.173 9.223 -2.620 1.00 5.54 H new ATOM 1101 N GLU A 72 -12.008 8.568 -4.996 1.00 41.35 N ATOM 1102 CA GLU A 72 -10.937 8.215 -5.921 1.00 40.41 C ATOM 1103 C GLU A 72 -10.348 9.463 -6.573 1.00 51.12 C ATOM 1104 O GLU A 72 -11.017 10.491 -6.688 1.00 60.41 O ATOM 1105 CB GLU A 72 -11.457 7.261 -6.998 1.00 62.20 C ATOM 1106 CG GLU A 72 -12.175 6.045 -6.438 1.00 61.50 C ATOM 1107 CD GLU A 72 -11.727 4.751 -7.090 1.00 72.05 C ATOM 1108 OE1 GLU A 72 -11.889 4.620 -8.322 1.00 24.13 O ATOM 1109 OE2 GLU A 72 -11.215 3.870 -6.369 1.00 21.42 O ATOM 0 H GLU A 72 -12.686 9.233 -5.369 1.00 41.35 H new ATOM 0 HA GLU A 72 -10.151 7.717 -5.353 1.00 40.41 H new ATOM 0 HB2 GLU A 72 -12.137 7.804 -7.655 1.00 62.20 H new ATOM 0 HB3 GLU A 72 -10.620 6.928 -7.611 1.00 62.20 H new ATOM 0 HG2 GLU A 72 -11.999 5.986 -5.364 1.00 61.50 H new ATOM 0 HG3 GLU A 72 -13.249 6.165 -6.579 1.00 61.50 H new ATOM 1116 N ILE A 73 -9.093 9.365 -6.998 1.00 2.25 N ATOM 1117 CA ILE A 73 -8.414 10.485 -7.638 1.00 61.32 C ATOM 1118 C ILE A 73 -7.983 10.128 -9.057 1.00 34.52 C ATOM 1119 O ILE A 73 -7.385 9.077 -9.288 1.00 14.12 O ATOM 1120 CB ILE A 73 -7.177 10.928 -6.834 1.00 71.45 C ATOM 1121 CG1 ILE A 73 -7.575 11.290 -5.402 1.00 54.13 C ATOM 1122 CG2 ILE A 73 -6.497 12.106 -7.515 1.00 51.03 C ATOM 1123 CD1 ILE A 73 -6.410 11.727 -4.543 1.00 44.43 C ATOM 0 H ILE A 73 -8.526 8.522 -6.911 1.00 2.25 H new ATOM 0 HA ILE A 73 -9.128 11.308 -7.673 1.00 61.32 H new ATOM 0 HB ILE A 73 -6.471 10.099 -6.796 1.00 71.45 H new ATOM 0 HG12 ILE A 73 -8.315 12.090 -5.430 1.00 54.13 H new ATOM 0 HG13 ILE A 73 -8.055 10.428 -4.938 1.00 54.13 H new ATOM 0 HG21 ILE A 73 -5.625 12.408 -6.935 1.00 51.03 H new ATOM 0 HG22 ILE A 73 -6.183 11.815 -8.518 1.00 51.03 H new ATOM 0 HG23 ILE A 73 -7.195 12.941 -7.581 1.00 51.03 H new ATOM 0 HD11 ILE A 73 -6.767 11.968 -3.542 1.00 44.43 H new ATOM 0 HD12 ILE A 73 -5.679 10.921 -4.484 1.00 44.43 H new ATOM 0 HD13 ILE A 73 -5.943 12.608 -4.984 1.00 44.43 H new ATOM 1135 N GLN A 74 -8.290 11.010 -10.002 1.00 73.22 N ATOM 1136 CA GLN A 74 -7.934 10.788 -11.399 1.00 23.55 C ATOM 1137 C GLN A 74 -7.015 11.893 -11.908 1.00 63.22 C ATOM 1138 O GLN A 74 -7.011 13.014 -11.400 1.00 40.20 O ATOM 1139 CB GLN A 74 -9.193 10.716 -12.263 1.00 54.24 C ATOM 1140 CG GLN A 74 -10.085 9.528 -11.943 1.00 31.44 C ATOM 1141 CD GLN A 74 -10.464 8.732 -13.176 1.00 43.24 C ATOM 1142 OE1 GLN A 74 -10.644 9.291 -14.258 1.00 52.44 O ATOM 1143 NE2 GLN A 74 -10.586 7.419 -13.020 1.00 40.21 N ATOM 0 H GLN A 74 -8.784 11.885 -9.826 1.00 73.22 H new ATOM 0 HA GLN A 74 -7.402 9.839 -11.466 1.00 23.55 H new ATOM 0 HB2 GLN A 74 -9.765 11.634 -12.133 1.00 54.24 H new ATOM 0 HB3 GLN A 74 -8.901 10.668 -13.312 1.00 54.24 H new ATOM 0 HG2 GLN A 74 -9.573 8.874 -11.237 1.00 31.44 H new ATOM 0 HG3 GLN A 74 -10.991 9.881 -11.451 1.00 31.44 H new ATOM 0 HE21 GLN A 74 -10.428 6.997 -12.105 1.00 40.21 H new ATOM 0 HE22 GLN A 74 -10.838 6.832 -13.815 1.00 40.21 H new ATOM 1152 N PRO A 75 -6.216 11.571 -12.936 1.00 44.34 N ATOM 1153 CA PRO A 75 -5.277 12.524 -13.537 1.00 71.34 C ATOM 1154 C PRO A 75 -5.988 13.630 -14.309 1.00 14.12 C ATOM 1155 O PRO A 75 -6.663 13.370 -15.305 1.00 2.12 O ATOM 1156 CB PRO A 75 -4.451 11.655 -14.489 1.00 24.23 C ATOM 1157 CG PRO A 75 -5.339 10.506 -14.821 1.00 52.34 C ATOM 1158 CD PRO A 75 -6.167 10.254 -13.592 1.00 31.42 C ATOM 0 HA PRO A 75 -4.682 13.040 -12.783 1.00 71.34 H new ATOM 0 HB2 PRO A 75 -4.168 12.208 -15.385 1.00 24.23 H new ATOM 0 HB3 PRO A 75 -3.528 11.318 -14.017 1.00 24.23 H new ATOM 0 HG2 PRO A 75 -5.972 10.737 -15.678 1.00 52.34 H new ATOM 0 HG3 PRO A 75 -4.755 9.625 -15.085 1.00 52.34 H new ATOM 0 HD2 PRO A 75 -7.164 9.895 -13.846 1.00 31.42 H new ATOM 0 HD3 PRO A 75 -5.712 9.501 -12.948 1.00 31.42 H new ATOM 1166 N MET A 76 -5.833 14.865 -13.842 1.00 63.32 N ATOM 1167 CA MET A 76 -6.459 16.011 -14.490 1.00 74.14 C ATOM 1168 C MET A 76 -5.916 16.201 -15.903 1.00 21.01 C ATOM 1169 O MET A 76 -4.716 16.060 -16.140 1.00 42.11 O ATOM 1170 CB MET A 76 -6.227 17.279 -13.667 1.00 52.31 C ATOM 1171 CG MET A 76 -6.962 18.496 -14.206 1.00 4.42 C ATOM 1172 SD MET A 76 -5.945 19.485 -15.319 1.00 65.34 S ATOM 1173 CE MET A 76 -7.099 20.776 -15.776 1.00 2.03 C ATOM 0 H MET A 76 -5.279 15.097 -13.017 1.00 63.32 H new ATOM 0 HA MET A 76 -7.530 15.820 -14.555 1.00 74.14 H new ATOM 0 HB2 MET A 76 -6.544 17.099 -12.640 1.00 52.31 H new ATOM 0 HB3 MET A 76 -5.159 17.493 -13.638 1.00 52.31 H new ATOM 0 HG2 MET A 76 -7.859 18.170 -14.733 1.00 4.42 H new ATOM 0 HG3 MET A 76 -7.290 19.116 -13.372 1.00 4.42 H new ATOM 0 HE1 MET A 76 -6.615 21.469 -16.464 1.00 2.03 H new ATOM 0 HE2 MET A 76 -7.969 20.332 -16.260 1.00 2.03 H new ATOM 0 HE3 MET A 76 -7.416 21.314 -14.882 1.00 2.03 H new ATOM 1183 N ILE A 77 -6.806 16.521 -16.836 1.00 62.33 N ATOM 1184 CA ILE A 77 -6.414 16.730 -18.225 1.00 11.54 C ATOM 1185 C ILE A 77 -6.717 18.157 -18.672 1.00 23.43 C ATOM 1186 O ILE A 77 -7.817 18.666 -18.458 1.00 31.42 O ATOM 1187 CB ILE A 77 -7.132 15.746 -19.167 1.00 24.11 C ATOM 1188 CG1 ILE A 77 -6.958 14.310 -18.668 1.00 12.04 C ATOM 1189 CG2 ILE A 77 -6.600 15.887 -20.585 1.00 44.22 C ATOM 1190 CD1 ILE A 77 -5.512 13.888 -18.533 1.00 61.53 C ATOM 0 H ILE A 77 -7.803 16.641 -16.656 1.00 62.33 H new ATOM 0 HA ILE A 77 -5.340 16.554 -18.280 1.00 11.54 H new ATOM 0 HB ILE A 77 -8.196 15.983 -19.173 1.00 24.11 H new ATOM 0 HG12 ILE A 77 -7.450 14.208 -17.700 1.00 12.04 H new ATOM 0 HG13 ILE A 77 -7.463 13.631 -19.355 1.00 12.04 H new ATOM 0 HG21 ILE A 77 -7.117 15.185 -21.239 1.00 44.22 H new ATOM 0 HG22 ILE A 77 -6.770 16.904 -20.938 1.00 44.22 H new ATOM 0 HG23 ILE A 77 -5.531 15.673 -20.596 1.00 44.22 H new ATOM 0 HD11 ILE A 77 -5.465 12.860 -18.175 1.00 61.53 H new ATOM 0 HD12 ILE A 77 -5.021 13.957 -19.504 1.00 61.53 H new ATOM 0 HD13 ILE A 77 -5.007 14.543 -17.823 1.00 61.53 H new