USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= -0.0424 K(o=-5.1,f=-6.7) USER MOD Set 1.2: A 69 GLN : amide:sc= -5.02! C(o=-5.1!,f=-7.6!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 149:sc= -0.166 (180deg=-0.898) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -113:sc= -0.0522 (180deg=-1.23) USER MOD Single : A 13 THR OG1 : rot 116:sc= 1.36 USER MOD Single : A 19 CYS SG : rot -55:sc= 0.0393 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -2.19 (180deg=-2.49) USER MOD Single : A 24 SER OG : rot -58:sc= -0.585 USER MOD Single : A 27 HIS : no HE2:sc= -5.04! C(o=-5!,f=-6.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -60:sc= -6.8! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.839) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00731) USER MOD Single : A 56 SER OG : rot -72:sc= 0.635 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -14.8! C(o=-15!,f=-17!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.246 USER MOD Single : A 83 THR OG1 : rot 113:sc= -1.29 USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= -0.15 (180deg=-0.753) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 1.44 (180deg=0.569) USER MOD Single : A 106 MET CE :methyl -172:sc= -4.54! (180deg=-5.17!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 5.898 -3.225 -0.024 1.00 63.24 N ATOM 30 CA ALA A 2 6.840 -3.958 0.805 1.00 12.11 C ATOM 31 C ALA A 2 6.931 -5.403 0.311 1.00 41.12 C ATOM 32 O ALA A 2 7.995 -5.852 -0.112 1.00 23.11 O ATOM 33 CB ALA A 2 6.407 -3.869 2.270 1.00 54.02 C ATOM 0 HA ALA A 2 7.836 -3.521 0.732 1.00 12.11 H new ATOM 0 HB1 ALA A 2 7.113 -4.419 2.892 1.00 54.02 H new ATOM 0 HB2 ALA A 2 6.386 -2.824 2.581 1.00 54.02 H new ATOM 0 HB3 ALA A 2 5.412 -4.300 2.382 1.00 54.02 H new ATOM 39 N PHE A 3 5.801 -6.091 0.380 1.00 10.03 N ATOM 40 CA PHE A 3 5.740 -7.476 -0.055 1.00 0.01 C ATOM 41 C PHE A 3 6.273 -7.627 -1.481 1.00 53.53 C ATOM 42 O PHE A 3 6.640 -8.724 -1.898 1.00 75.11 O ATOM 43 CB PHE A 3 4.267 -7.889 -0.027 1.00 22.10 C ATOM 44 CG PHE A 3 3.819 -8.505 1.300 1.00 13.30 C ATOM 45 CD1 PHE A 3 4.385 -9.660 1.739 1.00 23.45 C ATOM 46 CD2 PHE A 3 2.853 -7.896 2.040 1.00 24.30 C ATOM 47 CE1 PHE A 3 3.969 -10.232 2.971 1.00 51.31 C ATOM 48 CE2 PHE A 3 2.437 -8.468 3.272 1.00 40.34 C ATOM 49 CZ PHE A 3 3.004 -9.623 3.711 1.00 34.40 C ATOM 0 H PHE A 3 4.920 -5.715 0.731 1.00 10.03 H new ATOM 0 HA PHE A 3 6.350 -8.099 0.600 1.00 0.01 H new ATOM 0 HB2 PHE A 3 3.651 -7.014 -0.236 1.00 22.10 H new ATOM 0 HB3 PHE A 3 4.086 -8.606 -0.828 1.00 22.10 H new ATOM 0 HD1 PHE A 3 5.151 -10.143 1.151 1.00 23.45 H new ATOM 0 HD2 PHE A 3 2.403 -6.978 1.691 1.00 24.30 H new ATOM 0 HE1 PHE A 3 4.419 -11.150 3.320 1.00 51.31 H new ATOM 0 HE2 PHE A 3 1.670 -7.985 3.860 1.00 40.34 H new ATOM 0 HZ PHE A 3 2.688 -10.057 4.648 1.00 34.40 H new ATOM 59 N ALA A 4 6.298 -6.508 -2.190 1.00 44.44 N ATOM 60 CA ALA A 4 6.780 -6.501 -3.561 1.00 61.32 C ATOM 61 C ALA A 4 8.163 -7.154 -3.614 1.00 41.53 C ATOM 62 O ALA A 4 8.594 -7.619 -4.668 1.00 72.12 O ATOM 63 CB ALA A 4 6.792 -5.066 -4.092 1.00 35.32 C ATOM 0 H ALA A 4 5.992 -5.600 -1.841 1.00 44.44 H new ATOM 0 HA ALA A 4 6.117 -7.080 -4.203 1.00 61.32 H new ATOM 0 HB1 ALA A 4 7.154 -5.062 -5.120 1.00 35.32 H new ATOM 0 HB2 ALA A 4 5.782 -4.658 -4.061 1.00 35.32 H new ATOM 0 HB3 ALA A 4 7.449 -4.455 -3.474 1.00 35.32 H new ATOM 69 N SER A 5 8.821 -7.166 -2.464 1.00 74.31 N ATOM 70 CA SER A 5 10.146 -7.754 -2.366 1.00 40.22 C ATOM 71 C SER A 5 10.043 -9.197 -1.869 1.00 62.24 C ATOM 72 O SER A 5 10.741 -10.080 -2.367 1.00 14.13 O ATOM 73 CB SER A 5 11.044 -6.935 -1.437 1.00 30.24 C ATOM 74 OG SER A 5 12.419 -7.278 -1.584 1.00 62.51 O ATOM 0 H SER A 5 8.461 -6.778 -1.592 1.00 74.31 H new ATOM 0 HA SER A 5 10.596 -7.750 -3.359 1.00 40.22 H new ATOM 0 HB2 SER A 5 10.911 -5.874 -1.647 1.00 30.24 H new ATOM 0 HB3 SER A 5 10.739 -7.096 -0.403 1.00 30.24 H new ATOM 0 HG SER A 5 12.959 -6.732 -0.975 1.00 62.51 H new ATOM 80 N VAL A 6 9.168 -9.393 -0.894 1.00 53.43 N ATOM 81 CA VAL A 6 8.965 -10.714 -0.325 1.00 15.24 C ATOM 82 C VAL A 6 8.412 -11.649 -1.402 1.00 32.44 C ATOM 83 O VAL A 6 9.055 -12.633 -1.764 1.00 60.21 O ATOM 84 CB VAL A 6 8.061 -10.620 0.907 1.00 51.55 C ATOM 85 CG1 VAL A 6 7.942 -11.976 1.605 1.00 42.34 C ATOM 86 CG2 VAL A 6 8.563 -9.547 1.875 1.00 44.55 C ATOM 0 H VAL A 6 8.591 -8.659 -0.483 1.00 53.43 H new ATOM 0 HA VAL A 6 9.912 -11.133 0.014 1.00 15.24 H new ATOM 0 HB VAL A 6 7.066 -10.328 0.571 1.00 51.55 H new ATOM 0 HG11 VAL A 6 7.294 -11.881 2.477 1.00 42.34 H new ATOM 0 HG12 VAL A 6 7.517 -12.704 0.915 1.00 42.34 H new ATOM 0 HG13 VAL A 6 8.930 -12.310 1.922 1.00 42.34 H new ATOM 0 HG21 VAL A 6 7.903 -9.501 2.741 1.00 44.55 H new ATOM 0 HG22 VAL A 6 9.573 -9.795 2.201 1.00 44.55 H new ATOM 0 HG23 VAL A 6 8.571 -8.579 1.373 1.00 44.55 H new ATOM 96 N LEU A 7 7.225 -11.310 -1.883 1.00 41.31 N ATOM 97 CA LEU A 7 6.578 -12.107 -2.911 1.00 64.04 C ATOM 98 C LEU A 7 6.597 -11.338 -4.234 1.00 12.11 C ATOM 99 O LEU A 7 7.127 -10.230 -4.305 1.00 22.44 O ATOM 100 CB LEU A 7 5.177 -12.525 -2.463 1.00 32.43 C ATOM 101 CG LEU A 7 5.024 -12.877 -0.981 1.00 72.15 C ATOM 102 CD1 LEU A 7 3.606 -12.579 -0.491 1.00 34.30 C ATOM 103 CD2 LEU A 7 5.428 -14.329 -0.718 1.00 4.10 C ATOM 0 H LEU A 7 6.694 -10.494 -1.579 1.00 41.31 H new ATOM 0 HA LEU A 7 7.125 -13.036 -3.073 1.00 64.04 H new ATOM 0 HB2 LEU A 7 4.486 -11.716 -2.697 1.00 32.43 H new ATOM 0 HB3 LEU A 7 4.870 -13.388 -3.055 1.00 32.43 H new ATOM 0 HG LEU A 7 5.702 -12.245 -0.408 1.00 72.15 H new ATOM 0 HD11 LEU A 7 3.524 -12.838 0.565 1.00 34.30 H new ATOM 0 HD12 LEU A 7 3.391 -11.519 -0.622 1.00 34.30 H new ATOM 0 HD13 LEU A 7 2.891 -13.168 -1.066 1.00 34.30 H new ATOM 0 HD21 LEU A 7 5.310 -14.553 0.342 1.00 4.10 H new ATOM 0 HD22 LEU A 7 4.793 -14.995 -1.303 1.00 4.10 H new ATOM 0 HD23 LEU A 7 6.469 -14.475 -1.006 1.00 4.10 H new ATOM 115 N LYS A 8 6.011 -11.956 -5.249 1.00 50.40 N ATOM 116 CA LYS A 8 5.953 -11.343 -6.565 1.00 43.13 C ATOM 117 C LYS A 8 4.683 -10.498 -6.674 1.00 53.35 C ATOM 118 O LYS A 8 3.585 -10.983 -6.404 1.00 2.53 O ATOM 119 CB LYS A 8 6.080 -12.407 -7.658 1.00 11.14 C ATOM 120 CG LYS A 8 6.549 -11.787 -8.975 1.00 51.34 C ATOM 121 CD LYS A 8 6.214 -12.696 -10.159 1.00 61.42 C ATOM 122 CE LYS A 8 7.230 -13.834 -10.281 1.00 0.02 C ATOM 123 NZ LYS A 8 6.858 -14.958 -9.393 1.00 3.04 N ATOM 0 H LYS A 8 5.572 -12.875 -5.187 1.00 50.40 H new ATOM 0 HA LYS A 8 6.798 -10.669 -6.709 1.00 43.13 H new ATOM 0 HB2 LYS A 8 6.786 -13.175 -7.342 1.00 11.14 H new ATOM 0 HB3 LYS A 8 5.118 -12.898 -7.805 1.00 11.14 H new ATOM 0 HG2 LYS A 8 6.075 -10.815 -9.113 1.00 51.34 H new ATOM 0 HG3 LYS A 8 7.625 -11.615 -8.937 1.00 51.34 H new ATOM 0 HD2 LYS A 8 5.213 -13.109 -10.033 1.00 61.42 H new ATOM 0 HD3 LYS A 8 6.204 -12.112 -11.079 1.00 61.42 H new ATOM 0 HE2 LYS A 8 7.276 -14.179 -11.314 1.00 0.02 H new ATOM 0 HE3 LYS A 8 8.224 -13.471 -10.021 1.00 0.02 H new ATOM 0 HZ1 LYS A 8 7.566 -15.053 -8.637 1.00 3.04 H new ATOM 0 HZ2 LYS A 8 5.925 -14.774 -8.972 1.00 3.04 H new ATOM 0 HZ3 LYS A 8 6.821 -15.839 -9.945 1.00 3.04 H new ATOM 136 N ASP A 9 4.874 -9.248 -7.072 1.00 32.33 N ATOM 137 CA ASP A 9 3.757 -8.331 -7.220 1.00 13.00 C ATOM 138 C ASP A 9 2.687 -8.976 -8.103 1.00 53.34 C ATOM 139 O ASP A 9 1.506 -8.647 -7.995 1.00 44.22 O ATOM 140 CB ASP A 9 4.199 -7.028 -7.888 1.00 41.22 C ATOM 141 CG ASP A 9 3.106 -5.966 -8.022 1.00 74.12 C ATOM 142 OD1 ASP A 9 1.988 -6.254 -8.475 1.00 72.22 O ATOM 143 OD2 ASP A 9 3.443 -4.783 -7.633 1.00 64.43 O ATOM 0 H ASP A 9 5.786 -8.849 -7.296 1.00 32.33 H new ATOM 0 HA ASP A 9 3.366 -8.112 -6.226 1.00 13.00 H new ATOM 0 HB2 ASP A 9 5.026 -6.607 -7.316 1.00 41.22 H new ATOM 0 HB3 ASP A 9 4.584 -7.259 -8.881 1.00 41.22 H new ATOM 149 N ALA A 10 3.138 -9.882 -8.958 1.00 32.43 N ATOM 150 CA ALA A 10 2.234 -10.576 -9.859 1.00 71.32 C ATOM 151 C ALA A 10 1.503 -11.680 -9.092 1.00 40.00 C ATOM 152 O ALA A 10 0.350 -11.988 -9.389 1.00 13.14 O ATOM 153 CB ALA A 10 3.021 -11.119 -11.053 1.00 60.45 C ATOM 0 H ALA A 10 4.118 -10.152 -9.046 1.00 32.43 H new ATOM 0 HA ALA A 10 1.481 -9.891 -10.249 1.00 71.32 H new ATOM 0 HB1 ALA A 10 2.343 -11.640 -11.729 1.00 60.45 H new ATOM 0 HB2 ALA A 10 3.497 -10.293 -11.581 1.00 60.45 H new ATOM 0 HB3 ALA A 10 3.785 -11.812 -10.700 1.00 60.45 H new ATOM 159 N GLU A 11 2.204 -12.245 -8.120 1.00 64.35 N ATOM 160 CA GLU A 11 1.637 -13.308 -7.308 1.00 73.14 C ATOM 161 C GLU A 11 0.577 -12.744 -6.361 1.00 15.52 C ATOM 162 O GLU A 11 -0.573 -13.181 -6.378 1.00 22.31 O ATOM 163 CB GLU A 11 2.728 -14.048 -6.532 1.00 41.51 C ATOM 164 CG GLU A 11 3.314 -15.191 -7.363 1.00 51.45 C ATOM 165 CD GLU A 11 4.549 -15.785 -6.684 1.00 61.53 C ATOM 166 OE1 GLU A 11 5.323 -15.051 -6.052 1.00 70.30 O ATOM 167 OE2 GLU A 11 4.691 -17.059 -6.830 1.00 62.31 O ATOM 0 H GLU A 11 3.160 -11.986 -7.876 1.00 64.35 H new ATOM 0 HA GLU A 11 1.158 -14.028 -7.971 1.00 73.14 H new ATOM 0 HB2 GLU A 11 3.520 -13.351 -6.257 1.00 41.51 H new ATOM 0 HB3 GLU A 11 2.315 -14.443 -5.604 1.00 41.51 H new ATOM 0 HG2 GLU A 11 2.562 -15.968 -7.501 1.00 51.45 H new ATOM 0 HG3 GLU A 11 3.580 -14.825 -8.355 1.00 51.45 H new ATOM 175 N VAL A 12 1.001 -11.780 -5.556 1.00 54.14 N ATOM 176 CA VAL A 12 0.102 -11.151 -4.603 1.00 50.25 C ATOM 177 C VAL A 12 -1.064 -10.508 -5.357 1.00 12.33 C ATOM 178 O VAL A 12 -2.196 -10.511 -4.875 1.00 71.22 O ATOM 179 CB VAL A 12 0.874 -10.156 -3.735 1.00 12.35 C ATOM 180 CG1 VAL A 12 2.165 -10.780 -3.202 1.00 2.32 C ATOM 181 CG2 VAL A 12 1.165 -8.866 -4.505 1.00 31.14 C ATOM 0 H VAL A 12 1.955 -11.419 -5.544 1.00 54.14 H new ATOM 0 HA VAL A 12 -0.319 -11.894 -3.926 1.00 50.25 H new ATOM 0 HB VAL A 12 0.248 -9.901 -2.880 1.00 12.35 H new ATOM 0 HG11 VAL A 12 2.695 -10.052 -2.588 1.00 2.32 H new ATOM 0 HG12 VAL A 12 1.924 -11.656 -2.599 1.00 2.32 H new ATOM 0 HG13 VAL A 12 2.797 -11.078 -4.038 1.00 2.32 H new ATOM 0 HG21 VAL A 12 1.715 -8.176 -3.865 1.00 31.14 H new ATOM 0 HG22 VAL A 12 1.762 -9.096 -5.388 1.00 31.14 H new ATOM 0 HG23 VAL A 12 0.226 -8.406 -4.812 1.00 31.14 H new ATOM 191 N THR A 13 -0.748 -9.971 -6.526 1.00 23.11 N ATOM 192 CA THR A 13 -1.755 -9.326 -7.350 1.00 51.54 C ATOM 193 C THR A 13 -2.962 -10.247 -7.536 1.00 54.32 C ATOM 194 O THR A 13 -4.096 -9.852 -7.267 1.00 21.54 O ATOM 195 CB THR A 13 -1.095 -8.915 -8.668 1.00 74.13 C ATOM 196 OG1 THR A 13 -0.612 -7.598 -8.419 1.00 40.02 O ATOM 197 CG2 THR A 13 -2.110 -8.732 -9.799 1.00 1.11 C ATOM 0 H THR A 13 0.192 -9.970 -6.922 1.00 23.11 H new ATOM 0 HA THR A 13 -2.143 -8.428 -6.870 1.00 51.54 H new ATOM 0 HB THR A 13 -0.362 -9.668 -8.957 1.00 74.13 H new ATOM 0 HG1 THR A 13 0.367 -7.594 -8.469 1.00 40.02 H new ATOM 0 HG21 THR A 13 -1.590 -8.441 -10.711 1.00 1.11 H new ATOM 0 HG22 THR A 13 -2.640 -9.669 -9.967 1.00 1.11 H new ATOM 0 HG23 THR A 13 -2.824 -7.955 -9.525 1.00 1.11 H new ATOM 205 N ALA A 14 -2.678 -11.456 -7.996 1.00 31.43 N ATOM 206 CA ALA A 14 -3.727 -12.437 -8.221 1.00 5.02 C ATOM 207 C ALA A 14 -4.481 -12.681 -6.912 1.00 5.40 C ATOM 208 O ALA A 14 -5.675 -12.974 -6.925 1.00 10.21 O ATOM 209 CB ALA A 14 -3.114 -13.719 -8.788 1.00 5.01 C ATOM 0 H ALA A 14 -1.737 -11.779 -8.219 1.00 31.43 H new ATOM 0 HA ALA A 14 -4.447 -12.068 -8.952 1.00 5.02 H new ATOM 0 HB1 ALA A 14 -3.900 -14.455 -8.957 1.00 5.01 H new ATOM 0 HB2 ALA A 14 -2.616 -13.498 -9.732 1.00 5.01 H new ATOM 0 HB3 ALA A 14 -2.388 -14.119 -8.080 1.00 5.01 H new ATOM 215 N ALA A 15 -3.752 -12.550 -5.813 1.00 63.23 N ATOM 216 CA ALA A 15 -4.337 -12.752 -4.499 1.00 23.53 C ATOM 217 C ALA A 15 -5.196 -11.540 -4.135 1.00 43.44 C ATOM 218 O ALA A 15 -6.055 -11.623 -3.259 1.00 4.12 O ATOM 219 CB ALA A 15 -3.225 -13.006 -3.479 1.00 20.34 C ATOM 0 H ALA A 15 -2.762 -12.306 -5.806 1.00 63.23 H new ATOM 0 HA ALA A 15 -4.986 -13.627 -4.499 1.00 23.53 H new ATOM 0 HB1 ALA A 15 -3.664 -13.158 -2.493 1.00 20.34 H new ATOM 0 HB2 ALA A 15 -2.663 -13.895 -3.767 1.00 20.34 H new ATOM 0 HB3 ALA A 15 -2.555 -12.147 -3.450 1.00 20.34 H new ATOM 225 N LEU A 16 -4.934 -10.441 -4.827 1.00 41.45 N ATOM 226 CA LEU A 16 -5.672 -9.212 -4.589 1.00 33.13 C ATOM 227 C LEU A 16 -6.946 -9.215 -5.436 1.00 34.21 C ATOM 228 O LEU A 16 -7.924 -8.551 -5.095 1.00 72.22 O ATOM 229 CB LEU A 16 -4.778 -7.994 -4.828 1.00 23.22 C ATOM 230 CG LEU A 16 -3.915 -7.553 -3.644 1.00 13.34 C ATOM 231 CD1 LEU A 16 -2.609 -6.916 -4.124 1.00 35.25 C ATOM 232 CD2 LEU A 16 -4.697 -6.624 -2.712 1.00 60.20 C ATOM 0 H LEU A 16 -4.220 -10.376 -5.553 1.00 41.45 H new ATOM 0 HA LEU A 16 -5.982 -9.151 -3.546 1.00 33.13 H new ATOM 0 HB2 LEU A 16 -4.121 -8.210 -5.670 1.00 23.22 H new ATOM 0 HB3 LEU A 16 -5.410 -7.156 -5.123 1.00 23.22 H new ATOM 0 HG LEU A 16 -3.648 -8.439 -3.067 1.00 13.34 H new ATOM 0 HD11 LEU A 16 -2.015 -6.612 -3.263 1.00 35.25 H new ATOM 0 HD12 LEU A 16 -2.047 -7.639 -4.715 1.00 35.25 H new ATOM 0 HD13 LEU A 16 -2.834 -6.043 -4.737 1.00 35.25 H new ATOM 0 HD21 LEU A 16 -4.061 -6.325 -1.879 1.00 60.20 H new ATOM 0 HD22 LEU A 16 -5.014 -5.738 -3.263 1.00 60.20 H new ATOM 0 HD23 LEU A 16 -5.574 -7.146 -2.330 1.00 60.20 H new ATOM 244 N ASP A 17 -6.894 -9.970 -6.524 1.00 2.15 N ATOM 245 CA ASP A 17 -8.031 -10.068 -7.422 1.00 75.11 C ATOM 246 C ASP A 17 -8.919 -11.237 -6.989 1.00 2.34 C ATOM 247 O ASP A 17 -10.091 -11.301 -7.357 1.00 65.11 O ATOM 248 CB ASP A 17 -7.577 -10.327 -8.860 1.00 30.53 C ATOM 249 CG ASP A 17 -8.650 -10.105 -9.927 1.00 51.43 C ATOM 250 OD1 ASP A 17 -8.418 -9.416 -10.932 1.00 70.11 O ATOM 251 OD2 ASP A 17 -9.781 -10.680 -9.693 1.00 25.25 O ATOM 0 H ASP A 17 -6.081 -10.520 -6.803 1.00 2.15 H new ATOM 0 HA ASP A 17 -8.575 -9.125 -7.380 1.00 75.11 H new ATOM 0 HB2 ASP A 17 -6.728 -9.679 -9.079 1.00 30.53 H new ATOM 0 HB3 ASP A 17 -7.221 -11.355 -8.933 1.00 30.53 H new ATOM 257 N GLY A 18 -8.326 -12.132 -6.212 1.00 51.30 N ATOM 258 CA GLY A 18 -9.048 -13.295 -5.724 1.00 51.44 C ATOM 259 C GLY A 18 -10.026 -12.907 -4.613 1.00 43.21 C ATOM 260 O GLY A 18 -10.888 -13.699 -4.236 1.00 10.32 O ATOM 0 H GLY A 18 -7.354 -12.075 -5.908 1.00 51.30 H new ATOM 0 HA2 GLY A 18 -9.592 -13.761 -6.546 1.00 51.44 H new ATOM 0 HA3 GLY A 18 -8.341 -14.035 -5.349 1.00 51.44 H new ATOM 264 N CYS A 19 -9.858 -11.689 -4.120 1.00 54.51 N ATOM 265 CA CYS A 19 -10.715 -11.186 -3.060 1.00 32.14 C ATOM 266 C CYS A 19 -11.123 -9.754 -3.410 1.00 13.23 C ATOM 267 O CYS A 19 -11.370 -8.940 -2.521 1.00 11.00 O ATOM 268 CB CYS A 19 -10.031 -11.267 -1.694 1.00 1.25 C ATOM 269 SG CYS A 19 -8.300 -10.688 -1.825 1.00 51.44 S ATOM 0 H CYS A 19 -9.141 -11.036 -4.435 1.00 54.51 H new ATOM 0 HA CYS A 19 -11.607 -11.808 -2.984 1.00 32.14 H new ATOM 0 HB2 CYS A 19 -10.573 -10.658 -0.970 1.00 1.25 H new ATOM 0 HB3 CYS A 19 -10.053 -12.293 -1.327 1.00 1.25 H new ATOM 0 HG CYS A 19 -7.685 -11.363 -2.751 1.00 51.44 H new ATOM 275 N LYS A 20 -11.182 -9.489 -4.707 1.00 22.33 N ATOM 276 CA LYS A 20 -11.556 -8.169 -5.185 1.00 62.32 C ATOM 277 C LYS A 20 -13.003 -7.877 -4.783 1.00 42.12 C ATOM 278 O LYS A 20 -13.305 -6.795 -4.282 1.00 30.12 O ATOM 279 CB LYS A 20 -11.300 -8.052 -6.689 1.00 63.21 C ATOM 280 CG LYS A 20 -10.911 -6.622 -7.069 1.00 51.03 C ATOM 281 CD LYS A 20 -10.830 -6.462 -8.589 1.00 5.53 C ATOM 282 CE LYS A 20 -9.845 -7.464 -9.194 1.00 4.12 C ATOM 283 NZ LYS A 20 -8.472 -7.202 -8.705 1.00 15.30 N ATOM 0 H LYS A 20 -10.977 -10.166 -5.442 1.00 22.33 H new ATOM 0 HA LYS A 20 -10.935 -7.404 -4.719 1.00 62.32 H new ATOM 0 HB2 LYS A 20 -10.505 -8.739 -6.981 1.00 63.21 H new ATOM 0 HB3 LYS A 20 -12.194 -8.348 -7.238 1.00 63.21 H new ATOM 0 HG2 LYS A 20 -11.643 -5.922 -6.664 1.00 51.03 H new ATOM 0 HG3 LYS A 20 -9.949 -6.372 -6.621 1.00 51.03 H new ATOM 0 HD2 LYS A 20 -11.818 -6.608 -9.027 1.00 5.53 H new ATOM 0 HD3 LYS A 20 -10.519 -5.447 -8.835 1.00 5.53 H new ATOM 0 HE2 LYS A 20 -10.143 -8.479 -8.932 1.00 4.12 H new ATOM 0 HE3 LYS A 20 -9.869 -7.395 -10.282 1.00 4.12 H new ATOM 0 HZ1 LYS A 20 -7.802 -7.824 -9.202 1.00 15.30 H new ATOM 0 HZ2 LYS A 20 -8.222 -6.209 -8.886 1.00 15.30 H new ATOM 0 HZ3 LYS A 20 -8.426 -7.389 -7.683 1.00 15.30 H new ATOM 296 N ALA A 21 -13.859 -8.860 -5.018 1.00 61.33 N ATOM 297 CA ALA A 21 -15.267 -8.722 -4.687 1.00 21.11 C ATOM 298 C ALA A 21 -15.432 -8.734 -3.166 1.00 0.21 C ATOM 299 O ALA A 21 -14.620 -9.324 -2.454 1.00 54.34 O ATOM 300 CB ALA A 21 -16.064 -9.836 -5.368 1.00 63.44 C ATOM 0 H ALA A 21 -13.605 -9.756 -5.434 1.00 61.33 H new ATOM 0 HA ALA A 21 -15.656 -7.772 -5.054 1.00 21.11 H new ATOM 0 HB1 ALA A 21 -17.120 -9.732 -5.119 1.00 63.44 H new ATOM 0 HB2 ALA A 21 -15.937 -9.766 -6.448 1.00 63.44 H new ATOM 0 HB3 ALA A 21 -15.704 -10.805 -5.022 1.00 63.44 H new ATOM 306 N ALA A 22 -16.488 -8.075 -2.712 1.00 72.13 N ATOM 307 CA ALA A 22 -16.770 -8.002 -1.289 1.00 31.23 C ATOM 308 C ALA A 22 -17.494 -9.277 -0.851 1.00 22.04 C ATOM 309 O ALA A 22 -18.190 -9.905 -1.647 1.00 42.11 O ATOM 310 CB ALA A 22 -17.582 -6.740 -0.993 1.00 13.31 C ATOM 0 H ALA A 22 -17.159 -7.587 -3.305 1.00 72.13 H new ATOM 0 HA ALA A 22 -15.844 -7.935 -0.718 1.00 31.23 H new ATOM 0 HB1 ALA A 22 -17.793 -6.686 0.075 1.00 13.31 H new ATOM 0 HB2 ALA A 22 -17.012 -5.861 -1.295 1.00 13.31 H new ATOM 0 HB3 ALA A 22 -18.520 -6.772 -1.547 1.00 13.31 H new ATOM 316 N GLY A 23 -17.305 -9.622 0.415 1.00 43.43 N ATOM 317 CA GLY A 23 -17.931 -10.810 0.968 1.00 23.23 C ATOM 318 C GLY A 23 -17.512 -12.062 0.194 1.00 2.32 C ATOM 319 O GLY A 23 -18.201 -13.080 0.234 1.00 65.11 O ATOM 0 H GLY A 23 -16.727 -9.099 1.073 1.00 43.43 H new ATOM 0 HA2 GLY A 23 -17.654 -10.917 2.017 1.00 23.23 H new ATOM 0 HA3 GLY A 23 -19.015 -10.703 0.934 1.00 23.23 H new ATOM 323 N SER A 24 -16.384 -11.944 -0.492 1.00 35.50 N ATOM 324 CA SER A 24 -15.866 -13.054 -1.274 1.00 45.31 C ATOM 325 C SER A 24 -14.372 -13.237 -0.996 1.00 12.31 C ATOM 326 O SER A 24 -13.671 -13.896 -1.762 1.00 4.24 O ATOM 327 CB SER A 24 -16.104 -12.832 -2.769 1.00 62.51 C ATOM 328 OG SER A 24 -15.010 -12.164 -3.391 1.00 25.11 O ATOM 0 H SER A 24 -15.815 -11.098 -0.522 1.00 35.50 H new ATOM 0 HA SER A 24 -16.398 -13.959 -0.979 1.00 45.31 H new ATOM 0 HB2 SER A 24 -16.266 -13.793 -3.257 1.00 62.51 H new ATOM 0 HB3 SER A 24 -17.013 -12.246 -2.908 1.00 62.51 H new ATOM 0 HG SER A 24 -14.863 -11.299 -2.954 1.00 25.11 H new ATOM 334 N PHE A 25 -13.930 -12.641 0.102 1.00 32.31 N ATOM 335 CA PHE A 25 -12.533 -12.730 0.491 1.00 61.31 C ATOM 336 C PHE A 25 -12.303 -13.906 1.443 1.00 5.52 C ATOM 337 O PHE A 25 -13.145 -14.197 2.291 1.00 52.15 O ATOM 338 CB PHE A 25 -12.186 -11.428 1.214 1.00 12.44 C ATOM 339 CG PHE A 25 -10.990 -11.541 2.161 1.00 23.02 C ATOM 340 CD1 PHE A 25 -11.169 -11.406 3.503 1.00 42.14 C ATOM 341 CD2 PHE A 25 -9.747 -11.777 1.661 1.00 10.14 C ATOM 342 CE1 PHE A 25 -10.058 -11.511 4.381 1.00 33.22 C ATOM 343 CE2 PHE A 25 -8.637 -11.882 2.540 1.00 25.11 C ATOM 344 CZ PHE A 25 -8.816 -11.747 3.882 1.00 44.05 C ATOM 0 H PHE A 25 -14.515 -12.095 0.734 1.00 32.31 H new ATOM 0 HA PHE A 25 -11.910 -12.884 -0.390 1.00 61.31 H new ATOM 0 HB2 PHE A 25 -11.977 -10.657 0.472 1.00 12.44 H new ATOM 0 HB3 PHE A 25 -13.056 -11.097 1.782 1.00 12.44 H new ATOM 0 HD1 PHE A 25 -12.156 -11.219 3.900 1.00 42.14 H new ATOM 0 HD2 PHE A 25 -9.605 -11.884 0.596 1.00 10.14 H new ATOM 0 HE1 PHE A 25 -10.200 -11.403 5.446 1.00 33.22 H new ATOM 0 HE2 PHE A 25 -7.650 -12.069 2.143 1.00 25.11 H new ATOM 0 HZ PHE A 25 -7.972 -11.827 4.550 1.00 44.05 H new ATOM 354 N ASP A 26 -11.157 -14.549 1.272 1.00 40.31 N ATOM 355 CA ASP A 26 -10.805 -15.686 2.106 1.00 51.45 C ATOM 356 C ASP A 26 -9.345 -15.557 2.546 1.00 74.43 C ATOM 357 O ASP A 26 -8.444 -16.051 1.870 1.00 41.21 O ATOM 358 CB ASP A 26 -10.953 -17.000 1.336 1.00 51.41 C ATOM 359 CG ASP A 26 -12.365 -17.589 1.328 1.00 50.20 C ATOM 360 OD1 ASP A 26 -13.277 -17.053 0.681 1.00 60.23 O ATOM 361 OD2 ASP A 26 -12.513 -18.659 2.034 1.00 53.44 O ATOM 0 H ASP A 26 -10.460 -14.304 0.568 1.00 40.31 H new ATOM 0 HA ASP A 26 -11.475 -15.695 2.966 1.00 51.45 H new ATOM 0 HB2 ASP A 26 -10.638 -16.837 0.305 1.00 51.41 H new ATOM 0 HB3 ASP A 26 -10.272 -17.734 1.766 1.00 51.41 H new ATOM 367 N HIS A 27 -9.158 -14.892 3.676 1.00 62.10 N ATOM 368 CA HIS A 27 -7.823 -14.693 4.214 1.00 0.34 C ATOM 369 C HIS A 27 -6.997 -15.967 4.024 1.00 53.40 C ATOM 370 O HIS A 27 -5.934 -15.935 3.407 1.00 62.03 O ATOM 371 CB HIS A 27 -7.888 -14.241 5.675 1.00 71.13 C ATOM 372 CG HIS A 27 -8.272 -15.337 6.640 1.00 72.11 C ATOM 373 ND1 HIS A 27 -7.354 -16.230 7.164 1.00 70.31 N ATOM 374 CD2 HIS A 27 -9.483 -15.674 7.171 1.00 42.54 C ATOM 375 CE1 HIS A 27 -7.994 -17.063 7.971 1.00 14.14 C ATOM 376 NE2 HIS A 27 -9.314 -16.717 7.974 1.00 43.52 N ATOM 0 H HIS A 27 -9.908 -14.484 4.234 1.00 62.10 H new ATOM 0 HA HIS A 27 -7.323 -13.893 3.668 1.00 0.34 H new ATOM 0 HB2 HIS A 27 -6.917 -13.840 5.964 1.00 71.13 H new ATOM 0 HB3 HIS A 27 -8.607 -13.427 5.761 1.00 71.13 H new ATOM 0 HD1 HIS A 27 -6.354 -16.244 6.963 1.00 70.31 H new ATOM 0 HD2 HIS A 27 -10.420 -15.176 6.972 1.00 42.54 H new ATOM 0 HE1 HIS A 27 -7.549 -17.874 8.529 1.00 14.14 H new ATOM 384 N LYS A 28 -7.518 -17.058 4.566 1.00 54.43 N ATOM 385 CA LYS A 28 -6.843 -18.340 4.463 1.00 2.03 C ATOM 386 C LYS A 28 -6.349 -18.538 3.029 1.00 64.11 C ATOM 387 O LYS A 28 -5.148 -18.669 2.795 1.00 52.44 O ATOM 388 CB LYS A 28 -7.751 -19.466 4.962 1.00 55.43 C ATOM 389 CG LYS A 28 -9.117 -19.413 4.274 1.00 14.42 C ATOM 390 CD LYS A 28 -10.215 -19.950 5.194 1.00 14.13 C ATOM 391 CE LYS A 28 -11.536 -20.108 4.438 1.00 63.53 C ATOM 392 NZ LYS A 28 -12.368 -21.161 5.062 1.00 23.32 N ATOM 0 H LYS A 28 -8.400 -17.080 5.078 1.00 54.43 H new ATOM 0 HA LYS A 28 -5.965 -18.361 5.109 1.00 2.03 H new ATOM 0 HB2 LYS A 28 -7.280 -20.430 4.770 1.00 55.43 H new ATOM 0 HB3 LYS A 28 -7.880 -19.383 6.041 1.00 55.43 H new ATOM 0 HG2 LYS A 28 -9.346 -18.386 3.990 1.00 14.42 H new ATOM 0 HG3 LYS A 28 -9.089 -19.999 3.355 1.00 14.42 H new ATOM 0 HD2 LYS A 28 -9.911 -20.912 5.606 1.00 14.13 H new ATOM 0 HD3 LYS A 28 -10.353 -19.272 6.036 1.00 14.13 H new ATOM 0 HE2 LYS A 28 -12.077 -19.162 4.438 1.00 63.53 H new ATOM 0 HE3 LYS A 28 -11.338 -20.362 3.397 1.00 63.53 H new ATOM 0 HZ1 LYS A 28 -13.261 -21.255 4.537 1.00 23.32 H new ATOM 0 HZ2 LYS A 28 -11.856 -22.066 5.040 1.00 23.32 H new ATOM 0 HZ3 LYS A 28 -12.573 -20.903 6.048 1.00 23.32 H new ATOM 405 N LYS A 29 -7.299 -18.554 2.106 1.00 34.33 N ATOM 406 CA LYS A 29 -6.976 -18.734 0.701 1.00 22.32 C ATOM 407 C LYS A 29 -5.815 -17.810 0.327 1.00 31.43 C ATOM 408 O LYS A 29 -4.758 -18.276 -0.094 1.00 45.15 O ATOM 409 CB LYS A 29 -8.222 -18.538 -0.165 1.00 23.11 C ATOM 410 CG LYS A 29 -8.942 -19.867 -0.398 1.00 34.50 C ATOM 411 CD LYS A 29 -8.980 -20.217 -1.887 1.00 53.11 C ATOM 412 CE LYS A 29 -7.917 -21.262 -2.232 1.00 51.43 C ATOM 413 NZ LYS A 29 -8.173 -22.523 -1.501 1.00 53.25 N ATOM 0 H LYS A 29 -8.294 -18.445 2.304 1.00 34.33 H new ATOM 0 HA LYS A 29 -6.644 -19.755 0.514 1.00 22.32 H new ATOM 0 HB2 LYS A 29 -8.899 -17.834 0.319 1.00 23.11 H new ATOM 0 HB3 LYS A 29 -7.939 -18.101 -1.123 1.00 23.11 H new ATOM 0 HG2 LYS A 29 -8.436 -20.660 0.153 1.00 34.50 H new ATOM 0 HG3 LYS A 29 -9.958 -19.807 -0.009 1.00 34.50 H new ATOM 0 HD2 LYS A 29 -9.967 -20.597 -2.150 1.00 53.11 H new ATOM 0 HD3 LYS A 29 -8.816 -19.317 -2.480 1.00 53.11 H new ATOM 0 HE2 LYS A 29 -7.919 -21.450 -3.306 1.00 51.43 H new ATOM 0 HE3 LYS A 29 -6.928 -20.881 -1.977 1.00 51.43 H new ATOM 0 HZ1 LYS A 29 -7.841 -23.328 -2.070 1.00 53.25 H new ATOM 0 HZ2 LYS A 29 -7.665 -22.507 -0.594 1.00 53.25 H new ATOM 0 HZ3 LYS A 29 -9.193 -22.621 -1.325 1.00 53.25 H new ATOM 426 N PHE A 30 -6.052 -16.518 0.495 1.00 2.33 N ATOM 427 CA PHE A 30 -5.039 -15.524 0.181 1.00 72.33 C ATOM 428 C PHE A 30 -3.646 -16.015 0.581 1.00 34.21 C ATOM 429 O PHE A 30 -2.778 -16.193 -0.272 1.00 32.22 O ATOM 430 CB PHE A 30 -5.377 -14.270 0.989 1.00 2.01 C ATOM 431 CG PHE A 30 -4.794 -12.980 0.408 1.00 12.13 C ATOM 432 CD1 PHE A 30 -3.503 -12.639 0.668 1.00 35.24 C ATOM 433 CD2 PHE A 30 -5.567 -12.174 -0.368 1.00 11.11 C ATOM 434 CE1 PHE A 30 -2.963 -11.442 0.129 1.00 2.14 C ATOM 435 CE2 PHE A 30 -5.026 -10.976 -0.907 1.00 34.51 C ATOM 436 CZ PHE A 30 -3.736 -10.636 -0.647 1.00 3.22 C ATOM 0 H PHE A 30 -6.931 -16.136 0.845 1.00 2.33 H new ATOM 0 HA PHE A 30 -5.031 -15.327 -0.891 1.00 72.33 H new ATOM 0 HB2 PHE A 30 -6.461 -14.171 1.051 1.00 2.01 H new ATOM 0 HB3 PHE A 30 -5.010 -14.396 2.007 1.00 2.01 H new ATOM 0 HD1 PHE A 30 -2.889 -13.279 1.284 1.00 35.24 H new ATOM 0 HD2 PHE A 30 -6.592 -12.445 -0.575 1.00 11.11 H new ATOM 0 HE1 PHE A 30 -1.938 -11.171 0.335 1.00 2.14 H new ATOM 0 HE2 PHE A 30 -5.640 -10.336 -1.523 1.00 34.51 H new ATOM 0 HZ PHE A 30 -3.325 -9.725 -1.057 1.00 3.22 H new ATOM 446 N PHE A 31 -3.477 -16.220 1.879 1.00 4.10 N ATOM 447 CA PHE A 31 -2.204 -16.687 2.403 1.00 52.32 C ATOM 448 C PHE A 31 -1.713 -17.916 1.636 1.00 72.13 C ATOM 449 O PHE A 31 -0.514 -18.073 1.410 1.00 73.41 O ATOM 450 CB PHE A 31 -2.437 -17.072 3.865 1.00 22.11 C ATOM 451 CG PHE A 31 -2.743 -15.885 4.780 1.00 4.24 C ATOM 452 CD1 PHE A 31 -1.811 -14.911 4.965 1.00 53.12 C ATOM 453 CD2 PHE A 31 -3.945 -15.803 5.410 1.00 75.34 C ATOM 454 CE1 PHE A 31 -2.095 -13.809 5.814 1.00 31.03 C ATOM 455 CE2 PHE A 31 -4.229 -14.701 6.259 1.00 32.52 C ATOM 456 CZ PHE A 31 -3.298 -13.728 6.444 1.00 41.54 C ATOM 0 H PHE A 31 -4.200 -16.071 2.583 1.00 4.10 H new ATOM 0 HA PHE A 31 -1.451 -15.905 2.303 1.00 52.32 H new ATOM 0 HB2 PHE A 31 -3.264 -17.780 3.916 1.00 22.11 H new ATOM 0 HB3 PHE A 31 -1.553 -17.588 4.240 1.00 22.11 H new ATOM 0 HD1 PHE A 31 -0.855 -14.976 4.466 1.00 53.12 H new ATOM 0 HD2 PHE A 31 -4.684 -16.577 5.265 1.00 75.34 H new ATOM 0 HE1 PHE A 31 -1.356 -13.035 5.960 1.00 31.03 H new ATOM 0 HE2 PHE A 31 -5.185 -14.636 6.758 1.00 32.52 H new ATOM 0 HZ PHE A 31 -3.513 -12.891 7.091 1.00 41.54 H new ATOM 466 N LYS A 32 -2.665 -18.756 1.256 1.00 22.10 N ATOM 467 CA LYS A 32 -2.344 -19.967 0.519 1.00 52.41 C ATOM 468 C LYS A 32 -1.968 -19.599 -0.918 1.00 23.13 C ATOM 469 O LYS A 32 -1.213 -20.320 -1.569 1.00 40.41 O ATOM 470 CB LYS A 32 -3.493 -20.973 0.615 1.00 2.25 C ATOM 471 CG LYS A 32 -3.001 -22.395 0.337 1.00 52.43 C ATOM 472 CD LYS A 32 -4.102 -23.239 -0.309 1.00 11.24 C ATOM 473 CE LYS A 32 -4.028 -23.163 -1.835 1.00 1.42 C ATOM 474 NZ LYS A 32 -5.093 -23.987 -2.447 1.00 73.33 N ATOM 0 H LYS A 32 -3.658 -18.622 1.445 1.00 22.10 H new ATOM 0 HA LYS A 32 -1.479 -20.463 0.959 1.00 52.41 H new ATOM 0 HB2 LYS A 32 -3.940 -20.927 1.608 1.00 2.25 H new ATOM 0 HB3 LYS A 32 -4.273 -20.708 -0.098 1.00 2.25 H new ATOM 0 HG2 LYS A 32 -2.131 -22.361 -0.319 1.00 52.43 H new ATOM 0 HG3 LYS A 32 -2.680 -22.861 1.268 1.00 52.43 H new ATOM 0 HD2 LYS A 32 -4.005 -24.276 0.012 1.00 11.24 H new ATOM 0 HD3 LYS A 32 -5.078 -22.890 0.029 1.00 11.24 H new ATOM 0 HE2 LYS A 32 -4.130 -22.127 -2.159 1.00 1.42 H new ATOM 0 HE3 LYS A 32 -3.052 -23.509 -2.175 1.00 1.42 H new ATOM 0 HZ1 LYS A 32 -5.289 -23.643 -3.409 1.00 73.33 H new ATOM 0 HZ2 LYS A 32 -4.783 -24.979 -2.491 1.00 73.33 H new ATOM 0 HZ3 LYS A 32 -5.957 -23.920 -1.872 1.00 73.33 H new ATOM 487 N ALA A 33 -2.511 -18.478 -1.370 1.00 20.43 N ATOM 488 CA ALA A 33 -2.242 -18.006 -2.717 1.00 65.53 C ATOM 489 C ALA A 33 -0.793 -17.522 -2.803 1.00 63.33 C ATOM 490 O ALA A 33 0.004 -18.069 -3.564 1.00 41.25 O ATOM 491 CB ALA A 33 -3.245 -16.912 -3.085 1.00 40.32 C ATOM 0 H ALA A 33 -3.136 -17.883 -0.827 1.00 20.43 H new ATOM 0 HA ALA A 33 -2.363 -18.814 -3.438 1.00 65.53 H new ATOM 0 HB1 ALA A 33 -3.043 -16.558 -4.096 1.00 40.32 H new ATOM 0 HB2 ALA A 33 -4.257 -17.315 -3.037 1.00 40.32 H new ATOM 0 HB3 ALA A 33 -3.152 -16.082 -2.385 1.00 40.32 H new ATOM 497 N CYS A 34 -0.495 -16.502 -2.012 1.00 55.01 N ATOM 498 CA CYS A 34 0.843 -15.938 -1.989 1.00 45.02 C ATOM 499 C CYS A 34 1.805 -17.004 -1.461 1.00 60.41 C ATOM 500 O CYS A 34 3.013 -16.916 -1.674 1.00 3.23 O ATOM 501 CB CYS A 34 0.902 -14.655 -1.158 1.00 45.43 C ATOM 502 SG CYS A 34 0.122 -14.929 0.474 1.00 25.51 S ATOM 0 H CYS A 34 -1.158 -16.051 -1.382 1.00 55.01 H new ATOM 0 HA CYS A 34 1.137 -15.653 -2.999 1.00 45.02 H new ATOM 0 HB2 CYS A 34 1.939 -14.344 -1.027 1.00 45.43 H new ATOM 0 HB3 CYS A 34 0.391 -13.848 -1.683 1.00 45.43 H new ATOM 0 HG CYS A 34 -1.120 -15.277 0.309 1.00 25.51 H new ATOM 508 N GLY A 35 1.233 -17.988 -0.783 1.00 35.11 N ATOM 509 CA GLY A 35 2.024 -19.070 -0.223 1.00 32.52 C ATOM 510 C GLY A 35 2.351 -18.806 1.248 1.00 33.34 C ATOM 511 O GLY A 35 2.887 -19.675 1.935 1.00 74.14 O ATOM 0 H GLY A 35 0.230 -18.058 -0.609 1.00 35.11 H new ATOM 0 HA2 GLY A 35 1.479 -20.009 -0.315 1.00 32.52 H new ATOM 0 HA3 GLY A 35 2.948 -19.181 -0.790 1.00 32.52 H new ATOM 515 N LEU A 36 2.014 -17.603 1.689 1.00 24.14 N ATOM 516 CA LEU A 36 2.265 -17.214 3.067 1.00 45.55 C ATOM 517 C LEU A 36 1.959 -18.394 3.990 1.00 73.30 C ATOM 518 O LEU A 36 2.573 -18.537 5.046 1.00 11.21 O ATOM 519 CB LEU A 36 1.488 -15.943 3.414 1.00 13.32 C ATOM 520 CG LEU A 36 2.224 -14.621 3.184 1.00 61.42 C ATOM 521 CD1 LEU A 36 1.237 -13.463 3.031 1.00 13.23 C ATOM 522 CD2 LEU A 36 3.245 -14.362 4.293 1.00 21.14 C ATOM 0 H LEU A 36 1.569 -16.885 1.117 1.00 24.14 H new ATOM 0 HA LEU A 36 3.317 -16.965 3.207 1.00 45.55 H new ATOM 0 HB2 LEU A 36 0.570 -15.931 2.827 1.00 13.32 H new ATOM 0 HB3 LEU A 36 1.195 -15.995 4.463 1.00 13.32 H new ATOM 0 HG LEU A 36 2.778 -14.697 2.248 1.00 61.42 H new ATOM 0 HD11 LEU A 36 1.786 -12.536 2.869 1.00 13.23 H new ATOM 0 HD12 LEU A 36 0.584 -13.652 2.179 1.00 13.23 H new ATOM 0 HD13 LEU A 36 0.636 -13.375 3.936 1.00 13.23 H new ATOM 0 HD21 LEU A 36 3.754 -13.417 4.105 1.00 21.14 H new ATOM 0 HD22 LEU A 36 2.734 -14.314 5.254 1.00 21.14 H new ATOM 0 HD23 LEU A 36 3.976 -15.170 4.311 1.00 21.14 H new ATOM 534 N SER A 37 1.009 -19.211 3.558 1.00 11.31 N ATOM 535 CA SER A 37 0.613 -20.375 4.333 1.00 42.41 C ATOM 536 C SER A 37 1.738 -21.412 4.331 1.00 40.32 C ATOM 537 O SER A 37 2.167 -21.870 5.389 1.00 53.03 O ATOM 538 CB SER A 37 -0.676 -20.989 3.784 1.00 12.15 C ATOM 539 OG SER A 37 -1.802 -20.140 3.990 1.00 1.44 O ATOM 0 H SER A 37 0.502 -19.090 2.681 1.00 11.31 H new ATOM 0 HA SER A 37 0.424 -20.056 5.358 1.00 42.41 H new ATOM 0 HB2 SER A 37 -0.559 -21.184 2.718 1.00 12.15 H new ATOM 0 HB3 SER A 37 -0.854 -21.950 4.266 1.00 12.15 H new ATOM 0 HG SER A 37 -2.605 -20.567 3.624 1.00 1.44 H new ATOM 545 N GLY A 38 2.184 -21.752 3.130 1.00 10.54 N ATOM 546 CA GLY A 38 3.251 -22.726 2.977 1.00 73.15 C ATOM 547 C GLY A 38 4.620 -22.078 3.188 1.00 4.30 C ATOM 548 O GLY A 38 5.648 -22.747 3.099 1.00 64.22 O ATOM 0 H GLY A 38 1.826 -21.370 2.255 1.00 10.54 H new ATOM 0 HA2 GLY A 38 3.114 -23.536 3.693 1.00 73.15 H new ATOM 0 HA3 GLY A 38 3.204 -23.169 1.982 1.00 73.15 H new ATOM 552 N LYS A 39 4.590 -20.782 3.464 1.00 20.32 N ATOM 553 CA LYS A 39 5.816 -20.036 3.689 1.00 24.11 C ATOM 554 C LYS A 39 6.403 -20.425 5.048 1.00 62.15 C ATOM 555 O LYS A 39 5.821 -21.231 5.771 1.00 33.15 O ATOM 556 CB LYS A 39 5.566 -18.535 3.535 1.00 50.34 C ATOM 557 CG LYS A 39 5.586 -18.124 2.061 1.00 62.33 C ATOM 558 CD LYS A 39 6.917 -18.500 1.405 1.00 34.12 C ATOM 559 CE LYS A 39 7.271 -17.521 0.284 1.00 61.31 C ATOM 560 NZ LYS A 39 8.230 -18.139 -0.659 1.00 72.04 N ATOM 0 H LYS A 39 3.735 -20.230 3.537 1.00 20.32 H new ATOM 0 HA LYS A 39 6.560 -20.291 2.935 1.00 24.11 H new ATOM 0 HB2 LYS A 39 4.603 -18.276 3.975 1.00 50.34 H new ATOM 0 HB3 LYS A 39 6.327 -17.978 4.082 1.00 50.34 H new ATOM 0 HG2 LYS A 39 4.766 -18.610 1.533 1.00 62.33 H new ATOM 0 HG3 LYS A 39 5.426 -17.049 1.977 1.00 62.33 H new ATOM 0 HD2 LYS A 39 7.708 -18.502 2.155 1.00 34.12 H new ATOM 0 HD3 LYS A 39 6.856 -19.512 1.004 1.00 34.12 H new ATOM 0 HE2 LYS A 39 6.367 -17.226 -0.249 1.00 61.31 H new ATOM 0 HE3 LYS A 39 7.702 -16.614 0.708 1.00 61.31 H new ATOM 0 HZ1 LYS A 39 8.460 -17.462 -1.414 1.00 72.04 H new ATOM 0 HZ2 LYS A 39 9.099 -18.399 -0.150 1.00 72.04 H new ATOM 0 HZ3 LYS A 39 7.806 -18.992 -1.077 1.00 72.04 H new ATOM 573 N SER A 40 7.549 -19.834 5.352 1.00 21.14 N ATOM 574 CA SER A 40 8.221 -20.109 6.611 1.00 1.31 C ATOM 575 C SER A 40 7.747 -19.125 7.683 1.00 34.40 C ATOM 576 O SER A 40 7.598 -17.934 7.416 1.00 61.14 O ATOM 577 CB SER A 40 9.741 -20.029 6.453 1.00 53.00 C ATOM 578 OG SER A 40 10.217 -20.899 5.430 1.00 43.44 O ATOM 0 H SER A 40 8.029 -19.166 4.749 1.00 21.14 H new ATOM 0 HA SER A 40 7.967 -21.123 6.920 1.00 1.31 H new ATOM 0 HB2 SER A 40 10.028 -19.004 6.220 1.00 53.00 H new ATOM 0 HB3 SER A 40 10.218 -20.286 7.399 1.00 53.00 H new ATOM 0 HG SER A 40 11.191 -20.818 5.359 1.00 43.44 H new ATOM 584 N THR A 41 7.522 -19.661 8.874 1.00 40.11 N ATOM 585 CA THR A 41 7.067 -18.846 9.987 1.00 4.54 C ATOM 586 C THR A 41 8.023 -17.672 10.214 1.00 31.32 C ATOM 587 O THR A 41 7.663 -16.690 10.861 1.00 31.12 O ATOM 588 CB THR A 41 6.920 -19.754 11.209 1.00 30.15 C ATOM 589 OG1 THR A 41 5.585 -20.245 11.118 1.00 1.55 O ATOM 590 CG2 THR A 41 6.941 -18.974 12.525 1.00 3.24 C ATOM 0 H THR A 41 7.646 -20.650 9.092 1.00 40.11 H new ATOM 0 HA THR A 41 6.095 -18.398 9.778 1.00 4.54 H new ATOM 0 HB THR A 41 7.723 -20.491 11.212 1.00 30.15 H new ATOM 0 HG1 THR A 41 5.405 -20.845 11.872 1.00 1.55 H new ATOM 0 HG21 THR A 41 6.833 -19.666 13.360 1.00 3.24 H new ATOM 0 HG22 THR A 41 7.887 -18.440 12.616 1.00 3.24 H new ATOM 0 HG23 THR A 41 6.118 -18.259 12.538 1.00 3.24 H new ATOM 598 N ASP A 42 9.222 -17.814 9.669 1.00 1.50 N ATOM 599 CA ASP A 42 10.232 -16.778 9.804 1.00 41.42 C ATOM 600 C ASP A 42 9.785 -15.532 9.036 1.00 74.21 C ATOM 601 O ASP A 42 9.563 -14.478 9.630 1.00 20.44 O ATOM 602 CB ASP A 42 11.571 -17.235 9.223 1.00 64.32 C ATOM 603 CG ASP A 42 12.733 -16.261 9.431 1.00 60.55 C ATOM 604 OD1 ASP A 42 13.762 -16.613 10.027 1.00 50.42 O ATOM 605 OD2 ASP A 42 12.548 -15.081 8.944 1.00 24.10 O ATOM 0 H ASP A 42 9.517 -18.630 9.133 1.00 1.50 H new ATOM 0 HA ASP A 42 10.354 -16.563 10.866 1.00 41.42 H new ATOM 0 HB2 ASP A 42 11.836 -18.193 9.670 1.00 64.32 H new ATOM 0 HB3 ASP A 42 11.447 -17.405 8.154 1.00 64.32 H new ATOM 611 N GLU A 43 9.665 -15.695 7.726 1.00 1.45 N ATOM 612 CA GLU A 43 9.248 -14.596 6.871 1.00 21.51 C ATOM 613 C GLU A 43 7.891 -14.056 7.325 1.00 35.11 C ATOM 614 O GLU A 43 7.661 -12.848 7.305 1.00 3.32 O ATOM 615 CB GLU A 43 9.203 -15.030 5.405 1.00 71.33 C ATOM 616 CG GLU A 43 7.865 -15.693 5.070 1.00 51.42 C ATOM 617 CD GLU A 43 7.809 -16.101 3.596 1.00 12.42 C ATOM 618 OE1 GLU A 43 6.896 -15.680 2.871 1.00 55.43 O ATOM 619 OE2 GLU A 43 8.759 -16.883 3.211 1.00 71.43 O ATOM 0 H GLU A 43 9.849 -16.571 7.236 1.00 1.45 H new ATOM 0 HA GLU A 43 9.982 -13.795 6.957 1.00 21.51 H new ATOM 0 HB2 GLU A 43 9.355 -14.164 4.761 1.00 71.33 H new ATOM 0 HB3 GLU A 43 10.018 -15.725 5.203 1.00 71.33 H new ATOM 0 HG2 GLU A 43 7.722 -16.571 5.700 1.00 51.42 H new ATOM 0 HG3 GLU A 43 7.049 -15.006 5.292 1.00 51.42 H new ATOM 627 N VAL A 44 7.026 -14.977 7.724 1.00 71.44 N ATOM 628 CA VAL A 44 5.697 -14.609 8.182 1.00 42.43 C ATOM 629 C VAL A 44 5.792 -13.352 9.049 1.00 2.13 C ATOM 630 O VAL A 44 5.001 -12.423 8.892 1.00 70.40 O ATOM 631 CB VAL A 44 5.048 -15.788 8.908 1.00 74.55 C ATOM 632 CG1 VAL A 44 3.774 -15.351 9.634 1.00 72.55 C ATOM 633 CG2 VAL A 44 4.760 -16.937 7.939 1.00 61.14 C ATOM 0 H VAL A 44 7.220 -15.978 7.740 1.00 71.44 H new ATOM 0 HA VAL A 44 5.053 -14.373 7.335 1.00 42.43 H new ATOM 0 HB VAL A 44 5.753 -16.149 9.657 1.00 74.55 H new ATOM 0 HG11 VAL A 44 3.332 -16.208 10.142 1.00 72.55 H new ATOM 0 HG12 VAL A 44 4.018 -14.582 10.366 1.00 72.55 H new ATOM 0 HG13 VAL A 44 3.062 -14.951 8.912 1.00 72.55 H new ATOM 0 HG21 VAL A 44 4.299 -17.763 8.481 1.00 61.14 H new ATOM 0 HG22 VAL A 44 4.083 -16.593 7.157 1.00 61.14 H new ATOM 0 HG23 VAL A 44 5.693 -17.275 7.488 1.00 61.14 H new ATOM 643 N LYS A 45 6.767 -13.363 9.946 1.00 23.11 N ATOM 644 CA LYS A 45 6.976 -12.236 10.839 1.00 41.21 C ATOM 645 C LYS A 45 7.264 -10.982 10.011 1.00 12.30 C ATOM 646 O LYS A 45 6.678 -9.927 10.251 1.00 74.31 O ATOM 647 CB LYS A 45 8.065 -12.559 11.864 1.00 14.14 C ATOM 648 CG LYS A 45 7.745 -13.854 12.614 1.00 53.20 C ATOM 649 CD LYS A 45 9.025 -14.543 13.089 1.00 5.01 C ATOM 650 CE LYS A 45 8.720 -15.921 13.680 1.00 51.14 C ATOM 651 NZ LYS A 45 9.928 -16.776 13.652 1.00 75.13 N ATOM 0 H LYS A 45 7.421 -14.135 10.074 1.00 23.11 H new ATOM 0 HA LYS A 45 6.074 -12.037 11.418 1.00 41.21 H new ATOM 0 HB2 LYS A 45 9.027 -12.654 11.360 1.00 14.14 H new ATOM 0 HB3 LYS A 45 8.157 -11.737 12.574 1.00 14.14 H new ATOM 0 HG2 LYS A 45 7.107 -13.634 13.470 1.00 53.20 H new ATOM 0 HG3 LYS A 45 7.186 -14.526 11.964 1.00 53.20 H new ATOM 0 HD2 LYS A 45 9.718 -14.647 12.254 1.00 5.01 H new ATOM 0 HD3 LYS A 45 9.519 -13.924 13.838 1.00 5.01 H new ATOM 0 HE2 LYS A 45 8.367 -15.813 14.706 1.00 51.14 H new ATOM 0 HE3 LYS A 45 7.918 -16.396 13.115 1.00 51.14 H new ATOM 0 HZ1 LYS A 45 9.808 -17.523 12.938 1.00 75.13 H new ATOM 0 HZ2 LYS A 45 10.758 -16.197 13.412 1.00 75.13 H new ATOM 0 HZ3 LYS A 45 10.068 -17.210 14.587 1.00 75.13 H new ATOM 664 N LYS A 46 8.166 -11.138 9.054 1.00 42.44 N ATOM 665 CA LYS A 46 8.539 -10.031 8.189 1.00 52.11 C ATOM 666 C LYS A 46 7.350 -9.662 7.299 1.00 62.21 C ATOM 667 O LYS A 46 7.288 -8.555 6.767 1.00 0.35 O ATOM 668 CB LYS A 46 9.811 -10.366 7.408 1.00 2.11 C ATOM 669 CG LYS A 46 10.767 -11.210 8.254 1.00 60.15 C ATOM 670 CD LYS A 46 12.222 -10.959 7.852 1.00 11.53 C ATOM 671 CE LYS A 46 12.357 -10.830 6.334 1.00 43.43 C ATOM 672 NZ LYS A 46 13.746 -11.119 5.911 1.00 52.22 N ATOM 0 H LYS A 46 8.650 -12.014 8.858 1.00 42.44 H new ATOM 0 HA LYS A 46 8.780 -9.149 8.782 1.00 52.11 H new ATOM 0 HB2 LYS A 46 9.551 -10.906 6.498 1.00 2.11 H new ATOM 0 HB3 LYS A 46 10.307 -9.445 7.102 1.00 2.11 H new ATOM 0 HG2 LYS A 46 10.631 -10.972 9.309 1.00 60.15 H new ATOM 0 HG3 LYS A 46 10.529 -12.267 8.132 1.00 60.15 H new ATOM 0 HD2 LYS A 46 12.584 -10.049 8.331 1.00 11.53 H new ATOM 0 HD3 LYS A 46 12.848 -11.777 8.208 1.00 11.53 H new ATOM 0 HE2 LYS A 46 11.670 -11.518 5.842 1.00 43.43 H new ATOM 0 HE3 LYS A 46 12.077 -9.824 6.022 1.00 43.43 H new ATOM 0 HZ1 LYS A 46 13.820 -11.027 4.878 1.00 52.22 H new ATOM 0 HZ2 LYS A 46 14.395 -10.446 6.366 1.00 52.22 H new ATOM 0 HZ3 LYS A 46 14.000 -12.088 6.191 1.00 52.22 H new ATOM 685 N ALA A 47 6.436 -10.612 7.164 1.00 41.22 N ATOM 686 CA ALA A 47 5.253 -10.401 6.347 1.00 11.22 C ATOM 687 C ALA A 47 4.236 -9.573 7.135 1.00 35.44 C ATOM 688 O ALA A 47 3.573 -8.700 6.576 1.00 24.43 O ATOM 689 CB ALA A 47 4.689 -11.753 5.907 1.00 53.03 C ATOM 0 H ALA A 47 6.491 -11.529 7.607 1.00 41.22 H new ATOM 0 HA ALA A 47 5.504 -9.843 5.445 1.00 11.22 H new ATOM 0 HB1 ALA A 47 3.802 -11.595 5.294 1.00 53.03 H new ATOM 0 HB2 ALA A 47 5.440 -12.289 5.327 1.00 53.03 H new ATOM 0 HB3 ALA A 47 4.423 -12.340 6.786 1.00 53.03 H new ATOM 695 N PHE A 48 4.143 -9.877 8.422 1.00 60.13 N ATOM 696 CA PHE A 48 3.218 -9.172 9.292 1.00 35.35 C ATOM 697 C PHE A 48 3.630 -7.709 9.462 1.00 43.23 C ATOM 698 O PHE A 48 2.793 -6.852 9.740 1.00 32.11 O ATOM 699 CB PHE A 48 3.270 -9.865 10.655 1.00 32.54 C ATOM 700 CG PHE A 48 2.757 -9.004 11.812 1.00 65.24 C ATOM 701 CD1 PHE A 48 3.548 -8.030 12.336 1.00 40.53 C ATOM 702 CD2 PHE A 48 1.512 -9.213 12.315 1.00 34.31 C ATOM 703 CE1 PHE A 48 3.073 -7.230 13.409 1.00 75.32 C ATOM 704 CE2 PHE A 48 1.036 -8.414 13.388 1.00 21.02 C ATOM 705 CZ PHE A 48 1.827 -7.439 13.912 1.00 34.44 C ATOM 0 H PHE A 48 4.693 -10.602 8.882 1.00 60.13 H new ATOM 0 HA PHE A 48 2.216 -9.191 8.863 1.00 35.35 H new ATOM 0 HB2 PHE A 48 2.681 -10.781 10.608 1.00 32.54 H new ATOM 0 HB3 PHE A 48 4.299 -10.159 10.863 1.00 32.54 H new ATOM 0 HD1 PHE A 48 4.538 -7.865 11.936 1.00 40.53 H new ATOM 0 HD2 PHE A 48 0.884 -9.987 11.899 1.00 34.31 H new ATOM 0 HE1 PHE A 48 3.701 -6.456 13.825 1.00 75.32 H new ATOM 0 HE2 PHE A 48 0.047 -8.580 13.788 1.00 21.02 H new ATOM 0 HZ PHE A 48 1.465 -6.831 14.728 1.00 34.44 H new ATOM 715 N ALA A 49 4.921 -7.467 9.286 1.00 22.24 N ATOM 716 CA ALA A 49 5.455 -6.122 9.416 1.00 23.12 C ATOM 717 C ALA A 49 5.131 -5.325 8.151 1.00 30.01 C ATOM 718 O ALA A 49 5.414 -4.130 8.076 1.00 33.25 O ATOM 719 CB ALA A 49 6.959 -6.194 9.691 1.00 53.13 C ATOM 0 H ALA A 49 5.613 -8.180 9.054 1.00 22.24 H new ATOM 0 HA ALA A 49 4.994 -5.606 10.258 1.00 23.12 H new ATOM 0 HB1 ALA A 49 7.360 -5.185 9.789 1.00 53.13 H new ATOM 0 HB2 ALA A 49 7.134 -6.745 10.615 1.00 53.13 H new ATOM 0 HB3 ALA A 49 7.456 -6.703 8.865 1.00 53.13 H new ATOM 725 N ILE A 50 4.542 -6.018 7.188 1.00 61.50 N ATOM 726 CA ILE A 50 4.176 -5.390 5.930 1.00 64.32 C ATOM 727 C ILE A 50 2.880 -4.600 6.117 1.00 10.34 C ATOM 728 O ILE A 50 2.784 -3.449 5.694 1.00 12.22 O ATOM 729 CB ILE A 50 4.105 -6.432 4.812 1.00 70.14 C ATOM 730 CG1 ILE A 50 5.318 -7.363 4.852 1.00 64.35 C ATOM 731 CG2 ILE A 50 3.942 -5.761 3.446 1.00 4.23 C ATOM 732 CD1 ILE A 50 6.584 -6.634 4.397 1.00 63.33 C ATOM 0 H ILE A 50 4.309 -7.009 7.254 1.00 61.50 H new ATOM 0 HA ILE A 50 4.942 -4.678 5.623 1.00 64.32 H new ATOM 0 HB ILE A 50 3.221 -7.048 4.976 1.00 70.14 H new ATOM 0 HG12 ILE A 50 5.457 -7.742 5.864 1.00 64.35 H new ATOM 0 HG13 ILE A 50 5.140 -8.226 4.210 1.00 64.35 H new ATOM 0 HG21 ILE A 50 3.894 -6.524 2.669 1.00 4.23 H new ATOM 0 HG22 ILE A 50 3.023 -5.175 3.436 1.00 4.23 H new ATOM 0 HG23 ILE A 50 4.793 -5.105 3.259 1.00 4.23 H new ATOM 0 HD11 ILE A 50 7.431 -7.318 4.435 1.00 63.33 H new ATOM 0 HD12 ILE A 50 6.451 -6.277 3.376 1.00 63.33 H new ATOM 0 HD13 ILE A 50 6.772 -5.786 5.056 1.00 63.33 H new ATOM 744 N ILE A 51 1.915 -5.249 6.752 1.00 2.24 N ATOM 745 CA ILE A 51 0.629 -4.621 7.001 1.00 13.23 C ATOM 746 C ILE A 51 0.793 -3.537 8.068 1.00 2.32 C ATOM 747 O ILE A 51 0.372 -2.398 7.871 1.00 0.12 O ATOM 748 CB ILE A 51 -0.423 -5.675 7.353 1.00 50.03 C ATOM 749 CG1 ILE A 51 -0.189 -6.966 6.566 1.00 72.30 C ATOM 750 CG2 ILE A 51 -1.837 -5.128 7.149 1.00 52.31 C ATOM 751 CD1 ILE A 51 0.275 -8.094 7.489 1.00 20.54 C ATOM 0 H ILE A 51 1.998 -6.204 7.102 1.00 2.24 H new ATOM 0 HA ILE A 51 0.265 -4.129 6.099 1.00 13.23 H new ATOM 0 HB ILE A 51 -0.322 -5.919 8.411 1.00 50.03 H new ATOM 0 HG12 ILE A 51 -1.109 -7.260 6.061 1.00 72.30 H new ATOM 0 HG13 ILE A 51 0.559 -6.794 5.792 1.00 72.30 H new ATOM 0 HG21 ILE A 51 -2.565 -5.897 7.406 1.00 52.31 H new ATOM 0 HG22 ILE A 51 -1.986 -4.258 7.789 1.00 52.31 H new ATOM 0 HG23 ILE A 51 -1.968 -4.838 6.106 1.00 52.31 H new ATOM 0 HD11 ILE A 51 0.434 -9.000 6.905 1.00 20.54 H new ATOM 0 HD12 ILE A 51 1.208 -7.807 7.974 1.00 20.54 H new ATOM 0 HD13 ILE A 51 -0.486 -8.280 8.247 1.00 20.54 H new ATOM 763 N ASP A 52 1.407 -3.929 9.175 1.00 13.11 N ATOM 764 CA ASP A 52 1.632 -3.005 10.273 1.00 0.35 C ATOM 765 C ASP A 52 2.042 -1.642 9.712 1.00 40.13 C ATOM 766 O ASP A 52 3.181 -1.460 9.285 1.00 40.25 O ATOM 767 CB ASP A 52 2.757 -3.498 11.186 1.00 13.40 C ATOM 768 CG ASP A 52 2.611 -3.110 12.659 1.00 42.11 C ATOM 769 OD1 ASP A 52 2.082 -2.038 12.988 1.00 75.11 O ATOM 770 OD2 ASP A 52 3.075 -3.973 13.498 1.00 2.32 O ATOM 0 H ASP A 52 1.756 -4.874 9.335 1.00 13.11 H new ATOM 0 HA ASP A 52 0.708 -2.932 10.846 1.00 0.35 H new ATOM 0 HB2 ASP A 52 2.812 -4.584 11.116 1.00 13.40 H new ATOM 0 HB3 ASP A 52 3.704 -3.106 10.815 1.00 13.40 H new ATOM 776 N GLN A 53 1.091 -0.720 9.730 1.00 1.53 N ATOM 777 CA GLN A 53 1.339 0.621 9.228 1.00 0.21 C ATOM 778 C GLN A 53 1.924 1.503 10.334 1.00 75.42 C ATOM 779 O GLN A 53 3.005 2.052 10.256 1.00 71.53 O ATOM 780 CB GLN A 53 0.061 1.237 8.654 1.00 23.33 C ATOM 781 CG GLN A 53 -0.680 0.234 7.768 1.00 33.00 C ATOM 782 CD GLN A 53 -1.717 0.939 6.891 1.00 43.33 C ATOM 783 OE1 GLN A 53 -1.833 2.154 6.877 1.00 30.30 O ATOM 784 NE2 GLN A 53 -2.461 0.113 6.161 1.00 24.53 N ATOM 0 H GLN A 53 0.147 -0.875 10.084 1.00 1.53 H new ATOM 0 HA GLN A 53 2.067 0.556 8.419 1.00 0.21 H new ATOM 0 HB2 GLN A 53 -0.589 1.559 9.468 1.00 23.33 H new ATOM 0 HB3 GLN A 53 0.310 2.126 8.074 1.00 23.33 H new ATOM 0 HG2 GLN A 53 0.034 -0.297 7.138 1.00 33.00 H new ATOM 0 HG3 GLN A 53 -1.172 -0.513 8.391 1.00 33.00 H new ATOM 0 HE21 GLN A 53 -2.312 -0.894 6.220 1.00 24.53 H new ATOM 0 HE22 GLN A 53 -3.180 0.487 5.542 1.00 24.53 H new ATOM 793 N ASP A 54 1.171 1.632 11.391 1.00 22.35 N ATOM 794 CA ASP A 54 1.632 2.460 12.541 1.00 13.31 C ATOM 795 C ASP A 54 2.720 1.715 13.321 1.00 32.01 C ATOM 796 O ASP A 54 3.176 2.252 14.329 1.00 11.41 O ATOM 797 CB ASP A 54 0.389 2.658 13.409 1.00 13.13 C ATOM 798 CG ASP A 54 -0.063 1.309 13.971 1.00 52.12 C ATOM 799 OD1 ASP A 54 -1.204 0.944 13.737 1.00 31.13 O ATOM 800 OD2 ASP A 54 0.738 0.663 14.627 1.00 55.02 O ATOM 0 H ASP A 54 0.255 1.199 11.508 1.00 22.35 H new ATOM 0 HA ASP A 54 2.061 3.410 12.223 1.00 13.31 H new ATOM 0 HB2 ASP A 54 0.608 3.348 14.224 1.00 13.13 H new ATOM 0 HB3 ASP A 54 -0.412 3.105 12.819 1.00 13.13 H new ATOM 805 N LYS A 55 3.101 0.531 12.864 1.00 42.52 N ATOM 806 CA LYS A 55 4.124 -0.241 13.548 1.00 35.45 C ATOM 807 C LYS A 55 3.765 -0.352 15.032 1.00 71.53 C ATOM 808 O LYS A 55 4.548 0.041 15.895 1.00 65.44 O ATOM 809 CB LYS A 55 5.508 0.357 13.294 1.00 43.33 C ATOM 810 CG LYS A 55 5.580 1.003 11.908 1.00 1.15 C ATOM 811 CD LYS A 55 5.193 0.004 10.817 1.00 75.42 C ATOM 812 CE LYS A 55 5.897 0.331 9.499 1.00 54.24 C ATOM 813 NZ LYS A 55 7.301 -0.136 9.531 1.00 13.41 N ATOM 0 H LYS A 55 2.719 0.088 12.028 1.00 42.52 H new ATOM 0 HA LYS A 55 4.164 -1.255 13.151 1.00 35.45 H new ATOM 0 HB2 LYS A 55 5.732 1.101 14.058 1.00 43.33 H new ATOM 0 HB3 LYS A 55 6.266 -0.422 13.376 1.00 43.33 H new ATOM 0 HG2 LYS A 55 4.914 1.865 11.870 1.00 1.15 H new ATOM 0 HG3 LYS A 55 6.590 1.372 11.727 1.00 1.15 H new ATOM 0 HD2 LYS A 55 5.456 -1.005 11.133 1.00 75.42 H new ATOM 0 HD3 LYS A 55 4.113 0.021 10.670 1.00 75.42 H new ATOM 0 HE2 LYS A 55 5.369 -0.142 8.671 1.00 54.24 H new ATOM 0 HE3 LYS A 55 5.869 1.406 9.322 1.00 54.24 H new ATOM 0 HZ1 LYS A 55 7.870 0.428 8.868 1.00 13.41 H new ATOM 0 HZ2 LYS A 55 7.681 -0.027 10.493 1.00 13.41 H new ATOM 0 HZ3 LYS A 55 7.340 -1.138 9.255 1.00 13.41 H new ATOM 826 N SER A 56 2.580 -0.890 15.283 1.00 41.24 N ATOM 827 CA SER A 56 2.108 -1.058 16.647 1.00 41.55 C ATOM 828 C SER A 56 2.515 -2.434 17.176 1.00 65.13 C ATOM 829 O SER A 56 2.361 -2.718 18.363 1.00 42.54 O ATOM 830 CB SER A 56 0.590 -0.885 16.729 1.00 22.11 C ATOM 831 OG SER A 56 -0.073 -1.444 15.598 1.00 1.03 O ATOM 0 H SER A 56 1.933 -1.215 14.565 1.00 41.24 H new ATOM 0 HA SER A 56 2.568 -0.288 17.266 1.00 41.55 H new ATOM 0 HB2 SER A 56 0.220 -1.360 17.638 1.00 22.11 H new ATOM 0 HB3 SER A 56 0.349 0.176 16.803 1.00 22.11 H new ATOM 0 HG SER A 56 0.087 -0.880 14.813 1.00 1.03 H new ATOM 837 N GLY A 57 3.028 -3.253 16.269 1.00 33.30 N ATOM 838 CA GLY A 57 3.458 -4.593 16.629 1.00 24.45 C ATOM 839 C GLY A 57 2.281 -5.570 16.615 1.00 31.32 C ATOM 840 O GLY A 57 2.472 -6.780 16.726 1.00 62.31 O ATOM 0 H GLY A 57 3.155 -3.014 15.286 1.00 33.30 H new ATOM 0 HA2 GLY A 57 4.225 -4.932 15.932 1.00 24.45 H new ATOM 0 HA3 GLY A 57 3.912 -4.579 17.620 1.00 24.45 H new ATOM 844 N PHE A 58 1.089 -5.008 16.478 1.00 71.41 N ATOM 845 CA PHE A 58 -0.120 -5.815 16.448 1.00 45.33 C ATOM 846 C PHE A 58 -1.050 -5.366 15.319 1.00 13.45 C ATOM 847 O PHE A 58 -0.789 -4.363 14.657 1.00 55.41 O ATOM 848 CB PHE A 58 -0.827 -5.610 17.789 1.00 72.24 C ATOM 849 CG PHE A 58 0.113 -5.615 18.996 1.00 61.34 C ATOM 850 CD1 PHE A 58 1.029 -6.610 19.140 1.00 70.31 C ATOM 851 CD2 PHE A 58 0.033 -4.625 19.924 1.00 11.02 C ATOM 852 CE1 PHE A 58 1.902 -6.615 20.260 1.00 35.11 C ATOM 853 CE2 PHE A 58 0.906 -4.630 21.045 1.00 55.25 C ATOM 854 CZ PHE A 58 1.821 -5.625 21.189 1.00 44.22 C ATOM 0 H PHE A 58 0.934 -4.004 16.387 1.00 71.41 H new ATOM 0 HA PHE A 58 0.134 -6.861 16.278 1.00 45.33 H new ATOM 0 HB2 PHE A 58 -1.364 -4.662 17.764 1.00 72.24 H new ATOM 0 HB3 PHE A 58 -1.572 -6.395 17.919 1.00 72.24 H new ATOM 0 HD1 PHE A 58 1.092 -7.396 18.402 1.00 70.31 H new ATOM 0 HD2 PHE A 58 -0.694 -3.835 19.809 1.00 11.02 H new ATOM 0 HE1 PHE A 58 2.630 -7.405 20.374 1.00 35.11 H new ATOM 0 HE2 PHE A 58 0.843 -3.844 21.782 1.00 55.25 H new ATOM 0 HZ PHE A 58 2.484 -5.629 22.042 1.00 44.22 H new ATOM 864 N ILE A 59 -2.117 -6.130 15.136 1.00 42.03 N ATOM 865 CA ILE A 59 -3.088 -5.823 14.099 1.00 23.21 C ATOM 866 C ILE A 59 -4.494 -5.845 14.701 1.00 11.53 C ATOM 867 O ILE A 59 -5.131 -6.895 14.764 1.00 63.23 O ATOM 868 CB ILE A 59 -2.915 -6.767 12.907 1.00 1.40 C ATOM 869 CG1 ILE A 59 -1.541 -6.585 12.259 1.00 62.11 C ATOM 870 CG2 ILE A 59 -4.052 -6.590 11.899 1.00 70.13 C ATOM 871 CD1 ILE A 59 -1.367 -7.529 11.068 1.00 74.43 C ATOM 0 H ILE A 59 -2.331 -6.961 15.688 1.00 42.03 H new ATOM 0 HA ILE A 59 -2.923 -4.819 13.708 1.00 23.21 H new ATOM 0 HB ILE A 59 -2.965 -7.793 13.273 1.00 1.40 H new ATOM 0 HG12 ILE A 59 -1.424 -5.553 11.929 1.00 62.11 H new ATOM 0 HG13 ILE A 59 -0.760 -6.775 12.995 1.00 62.11 H new ATOM 0 HG21 ILE A 59 -3.905 -7.272 11.062 1.00 70.13 H new ATOM 0 HG22 ILE A 59 -5.004 -6.808 12.383 1.00 70.13 H new ATOM 0 HG23 ILE A 59 -4.058 -5.563 11.534 1.00 70.13 H new ATOM 0 HD11 ILE A 59 -0.382 -7.379 10.626 1.00 74.43 H new ATOM 0 HD12 ILE A 59 -1.460 -8.561 11.405 1.00 74.43 H new ATOM 0 HD13 ILE A 59 -2.135 -7.320 10.323 1.00 74.43 H new ATOM 883 N GLU A 60 -4.938 -4.672 15.129 1.00 3.24 N ATOM 884 CA GLU A 60 -6.257 -4.542 15.724 1.00 20.54 C ATOM 885 C GLU A 60 -7.331 -5.012 14.741 1.00 31.53 C ATOM 886 O GLU A 60 -7.047 -5.233 13.565 1.00 31.00 O ATOM 887 CB GLU A 60 -6.517 -3.103 16.174 1.00 71.42 C ATOM 888 CG GLU A 60 -5.495 -2.663 17.224 1.00 63.53 C ATOM 889 CD GLU A 60 -4.302 -1.963 16.568 1.00 35.43 C ATOM 890 OE1 GLU A 60 -4.484 -0.960 15.863 1.00 70.14 O ATOM 891 OE2 GLU A 60 -3.154 -2.497 16.815 1.00 51.41 O ATOM 0 H GLU A 60 -4.407 -3.803 15.075 1.00 3.24 H new ATOM 0 HA GLU A 60 -6.299 -5.177 16.609 1.00 20.54 H new ATOM 0 HB2 GLU A 60 -6.470 -2.435 15.314 1.00 71.42 H new ATOM 0 HB3 GLU A 60 -7.523 -3.023 16.585 1.00 71.42 H new ATOM 0 HG2 GLU A 60 -5.969 -1.990 17.938 1.00 63.53 H new ATOM 0 HG3 GLU A 60 -5.149 -3.531 17.786 1.00 63.53 H new ATOM 899 N GLU A 61 -8.542 -5.152 15.260 1.00 53.12 N ATOM 900 CA GLU A 61 -9.660 -5.592 14.442 1.00 12.44 C ATOM 901 C GLU A 61 -9.862 -4.639 13.262 1.00 63.30 C ATOM 902 O GLU A 61 -10.136 -5.078 12.146 1.00 50.30 O ATOM 903 CB GLU A 61 -10.937 -5.708 15.277 1.00 72.21 C ATOM 904 CG GLU A 61 -12.137 -6.064 14.397 1.00 50.24 C ATOM 905 CD GLU A 61 -12.798 -4.803 13.835 1.00 64.21 C ATOM 906 OE1 GLU A 61 -13.355 -4.836 12.728 1.00 74.31 O ATOM 907 OE2 GLU A 61 -12.718 -3.762 14.593 1.00 72.24 O ATOM 0 H GLU A 61 -8.774 -4.969 16.236 1.00 53.12 H new ATOM 0 HA GLU A 61 -9.430 -6.582 14.049 1.00 12.44 H new ATOM 0 HB2 GLU A 61 -10.806 -6.470 16.045 1.00 72.21 H new ATOM 0 HB3 GLU A 61 -11.126 -4.766 15.792 1.00 72.21 H new ATOM 0 HG2 GLU A 61 -11.814 -6.706 13.577 1.00 50.24 H new ATOM 0 HG3 GLU A 61 -12.864 -6.631 14.979 1.00 50.24 H new ATOM 915 N GLU A 62 -9.718 -3.354 13.549 1.00 43.23 N ATOM 916 CA GLU A 62 -9.881 -2.336 12.525 1.00 45.23 C ATOM 917 C GLU A 62 -8.769 -2.451 11.480 1.00 24.21 C ATOM 918 O GLU A 62 -9.006 -2.248 10.290 1.00 12.35 O ATOM 919 CB GLU A 62 -9.909 -0.936 13.142 1.00 33.45 C ATOM 920 CG GLU A 62 -10.785 -0.909 14.397 1.00 42.30 C ATOM 921 CD GLU A 62 -9.927 -0.862 15.663 1.00 32.52 C ATOM 922 OE1 GLU A 62 -8.823 -0.298 15.644 1.00 53.00 O ATOM 923 OE2 GLU A 62 -10.446 -1.439 16.694 1.00 25.21 O ATOM 0 H GLU A 62 -9.490 -2.994 14.476 1.00 43.23 H new ATOM 0 HA GLU A 62 -10.838 -2.498 12.029 1.00 45.23 H new ATOM 0 HB2 GLU A 62 -8.895 -0.625 13.395 1.00 33.45 H new ATOM 0 HB3 GLU A 62 -10.289 -0.221 12.413 1.00 33.45 H new ATOM 0 HG2 GLU A 62 -11.443 -0.041 14.367 1.00 42.30 H new ATOM 0 HG3 GLU A 62 -11.423 -1.792 14.418 1.00 42.30 H new ATOM 931 N GLU A 63 -7.579 -2.777 11.963 1.00 64.24 N ATOM 932 CA GLU A 63 -6.429 -2.922 11.085 1.00 33.13 C ATOM 933 C GLU A 63 -6.527 -4.228 10.294 1.00 41.11 C ATOM 934 O GLU A 63 -6.008 -4.325 9.183 1.00 54.43 O ATOM 935 CB GLU A 63 -5.123 -2.858 11.878 1.00 24.04 C ATOM 936 CG GLU A 63 -5.080 -1.612 12.765 1.00 43.30 C ATOM 937 CD GLU A 63 -3.691 -1.423 13.379 1.00 31.21 C ATOM 938 OE1 GLU A 63 -3.046 -0.413 13.024 1.00 12.14 O ATOM 939 OE2 GLU A 63 -3.306 -2.294 14.189 1.00 1.44 O ATOM 0 H GLU A 63 -7.386 -2.945 12.950 1.00 64.24 H new ATOM 0 HA GLU A 63 -6.428 -2.092 10.379 1.00 33.13 H new ATOM 0 HB2 GLU A 63 -5.024 -3.751 12.495 1.00 24.04 H new ATOM 0 HB3 GLU A 63 -4.277 -2.849 11.191 1.00 24.04 H new ATOM 0 HG2 GLU A 63 -5.344 -0.733 12.177 1.00 43.30 H new ATOM 0 HG3 GLU A 63 -5.823 -1.700 13.558 1.00 43.30 H new ATOM 946 N LEU A 64 -7.195 -5.200 10.897 1.00 11.24 N ATOM 947 CA LEU A 64 -7.367 -6.496 10.263 1.00 52.41 C ATOM 948 C LEU A 64 -7.980 -6.301 8.875 1.00 70.45 C ATOM 949 O LEU A 64 -7.486 -6.852 7.892 1.00 51.34 O ATOM 950 CB LEU A 64 -8.174 -7.431 11.166 1.00 63.33 C ATOM 951 CG LEU A 64 -7.360 -8.314 12.114 1.00 11.04 C ATOM 952 CD1 LEU A 64 -8.269 -9.016 13.125 1.00 11.11 C ATOM 953 CD2 LEU A 64 -6.496 -9.307 11.334 1.00 13.12 C ATOM 0 H LEU A 64 -7.624 -5.116 11.819 1.00 11.24 H new ATOM 0 HA LEU A 64 -6.402 -6.983 10.121 1.00 52.41 H new ATOM 0 HB2 LEU A 64 -8.859 -6.827 11.762 1.00 63.33 H new ATOM 0 HB3 LEU A 64 -8.785 -8.076 10.535 1.00 63.33 H new ATOM 0 HG LEU A 64 -6.683 -7.674 12.679 1.00 11.04 H new ATOM 0 HD11 LEU A 64 -7.666 -9.637 13.787 1.00 11.11 H new ATOM 0 HD12 LEU A 64 -8.802 -8.270 13.714 1.00 11.11 H new ATOM 0 HD13 LEU A 64 -8.987 -9.642 12.595 1.00 11.11 H new ATOM 0 HD21 LEU A 64 -5.928 -9.922 12.032 1.00 13.12 H new ATOM 0 HD22 LEU A 64 -7.136 -9.946 10.725 1.00 13.12 H new ATOM 0 HD23 LEU A 64 -5.808 -8.762 10.688 1.00 13.12 H new ATOM 965 N LYS A 65 -9.047 -5.517 8.838 1.00 32.13 N ATOM 966 CA LYS A 65 -9.733 -5.243 7.587 1.00 63.44 C ATOM 967 C LYS A 65 -8.746 -4.625 6.595 1.00 41.45 C ATOM 968 O LYS A 65 -8.998 -4.608 5.391 1.00 74.32 O ATOM 969 CB LYS A 65 -10.976 -4.387 7.833 1.00 50.51 C ATOM 970 CG LYS A 65 -10.628 -2.897 7.811 1.00 13.31 C ATOM 971 CD LYS A 65 -11.614 -2.091 8.660 1.00 70.13 C ATOM 972 CE LYS A 65 -12.973 -1.983 7.966 1.00 15.32 C ATOM 973 NZ LYS A 65 -13.650 -0.722 8.346 1.00 61.23 N ATOM 0 H LYS A 65 -9.454 -5.062 9.655 1.00 32.13 H new ATOM 0 HA LYS A 65 -10.097 -6.169 7.141 1.00 63.44 H new ATOM 0 HB2 LYS A 65 -11.726 -4.600 7.071 1.00 50.51 H new ATOM 0 HB3 LYS A 65 -11.417 -4.647 8.795 1.00 50.51 H new ATOM 0 HG2 LYS A 65 -9.615 -2.751 8.186 1.00 13.31 H new ATOM 0 HG3 LYS A 65 -10.643 -2.531 6.784 1.00 13.31 H new ATOM 0 HD2 LYS A 65 -11.735 -2.567 9.633 1.00 70.13 H new ATOM 0 HD3 LYS A 65 -11.213 -1.093 8.841 1.00 70.13 H new ATOM 0 HE2 LYS A 65 -12.840 -2.020 6.885 1.00 15.32 H new ATOM 0 HE3 LYS A 65 -13.596 -2.834 8.240 1.00 15.32 H new ATOM 0 HZ1 LYS A 65 -14.571 -0.664 7.866 1.00 61.23 H new ATOM 0 HZ2 LYS A 65 -13.794 -0.702 9.376 1.00 61.23 H new ATOM 0 HZ3 LYS A 65 -13.061 0.087 8.063 1.00 61.23 H new ATOM 986 N LEU A 66 -7.643 -4.131 7.137 1.00 44.54 N ATOM 987 CA LEU A 66 -6.617 -3.512 6.314 1.00 23.21 C ATOM 988 C LEU A 66 -5.576 -4.565 5.927 1.00 74.02 C ATOM 989 O LEU A 66 -4.413 -4.238 5.698 1.00 62.33 O ATOM 990 CB LEU A 66 -6.023 -2.293 7.024 1.00 74.42 C ATOM 991 CG LEU A 66 -7.027 -1.244 7.507 1.00 61.14 C ATOM 992 CD1 LEU A 66 -6.334 -0.166 8.342 1.00 64.11 C ATOM 993 CD2 LEU A 66 -7.804 -0.647 6.332 1.00 72.33 C ATOM 0 H LEU A 66 -7.437 -4.147 8.136 1.00 44.54 H new ATOM 0 HA LEU A 66 -7.049 -3.134 5.388 1.00 23.21 H new ATOM 0 HB2 LEU A 66 -5.450 -2.641 7.883 1.00 74.42 H new ATOM 0 HB3 LEU A 66 -5.320 -1.809 6.346 1.00 74.42 H new ATOM 0 HG LEU A 66 -7.752 -1.737 8.155 1.00 61.14 H new ATOM 0 HD11 LEU A 66 -7.070 0.567 8.673 1.00 64.11 H new ATOM 0 HD12 LEU A 66 -5.863 -0.626 9.211 1.00 64.11 H new ATOM 0 HD13 LEU A 66 -5.574 0.330 7.738 1.00 64.11 H new ATOM 0 HD21 LEU A 66 -8.511 0.096 6.703 1.00 72.33 H new ATOM 0 HD22 LEU A 66 -7.109 -0.172 5.640 1.00 72.33 H new ATOM 0 HD23 LEU A 66 -8.347 -1.438 5.815 1.00 72.33 H new ATOM 1005 N PHE A 67 -6.033 -5.807 5.866 1.00 61.34 N ATOM 1006 CA PHE A 67 -5.156 -6.910 5.510 1.00 73.21 C ATOM 1007 C PHE A 67 -4.816 -6.881 4.019 1.00 43.05 C ATOM 1008 O PHE A 67 -4.065 -7.726 3.533 1.00 53.01 O ATOM 1009 CB PHE A 67 -5.914 -8.202 5.823 1.00 64.22 C ATOM 1010 CG PHE A 67 -5.256 -9.462 5.255 1.00 0.14 C ATOM 1011 CD1 PHE A 67 -5.844 -10.132 4.228 1.00 21.23 C ATOM 1012 CD2 PHE A 67 -4.084 -9.911 5.778 1.00 24.20 C ATOM 1013 CE1 PHE A 67 -5.234 -11.301 3.702 1.00 63.22 C ATOM 1014 CE2 PHE A 67 -3.473 -11.080 5.251 1.00 33.35 C ATOM 1015 CZ PHE A 67 -4.061 -11.751 4.224 1.00 13.45 C ATOM 0 H PHE A 67 -6.999 -6.074 6.057 1.00 61.34 H new ATOM 0 HA PHE A 67 -4.223 -6.839 6.069 1.00 73.21 H new ATOM 0 HB2 PHE A 67 -6.003 -8.307 6.904 1.00 64.22 H new ATOM 0 HB3 PHE A 67 -6.926 -8.123 5.426 1.00 64.22 H new ATOM 0 HD1 PHE A 67 -6.775 -9.775 3.813 1.00 21.23 H new ATOM 0 HD2 PHE A 67 -3.618 -9.379 6.594 1.00 24.20 H new ATOM 0 HE1 PHE A 67 -5.701 -11.833 2.887 1.00 63.22 H new ATOM 0 HE2 PHE A 67 -2.542 -11.436 5.666 1.00 33.35 H new ATOM 0 HZ PHE A 67 -3.597 -12.640 3.823 1.00 13.45 H new ATOM 1025 N LEU A 68 -5.384 -5.899 3.334 1.00 62.44 N ATOM 1026 CA LEU A 68 -5.150 -5.749 1.907 1.00 2.04 C ATOM 1027 C LEU A 68 -4.425 -4.426 1.651 1.00 72.14 C ATOM 1028 O LEU A 68 -3.987 -4.161 0.532 1.00 31.12 O ATOM 1029 CB LEU A 68 -6.460 -5.893 1.131 1.00 34.13 C ATOM 1030 CG LEU A 68 -6.970 -7.322 0.935 1.00 32.34 C ATOM 1031 CD1 LEU A 68 -8.109 -7.363 -0.085 1.00 72.02 C ATOM 1032 CD2 LEU A 68 -5.827 -8.265 0.556 1.00 24.20 C ATOM 0 H LEU A 68 -6.005 -5.200 3.740 1.00 62.44 H new ATOM 0 HA LEU A 68 -4.501 -6.545 1.541 1.00 2.04 H new ATOM 0 HB2 LEU A 68 -7.230 -5.321 1.648 1.00 34.13 H new ATOM 0 HB3 LEU A 68 -6.330 -5.437 0.150 1.00 34.13 H new ATOM 0 HG LEU A 68 -7.375 -7.673 1.884 1.00 32.34 H new ATOM 0 HD11 LEU A 68 -8.453 -8.390 -0.205 1.00 72.02 H new ATOM 0 HD12 LEU A 68 -8.934 -6.743 0.266 1.00 72.02 H new ATOM 0 HD13 LEU A 68 -7.753 -6.985 -1.043 1.00 72.02 H new ATOM 0 HD21 LEU A 68 -6.217 -9.274 0.423 1.00 24.20 H new ATOM 0 HD22 LEU A 68 -5.369 -7.927 -0.374 1.00 24.20 H new ATOM 0 HD23 LEU A 68 -5.079 -8.267 1.349 1.00 24.20 H new ATOM 1044 N GLN A 69 -4.321 -3.631 2.705 1.00 15.31 N ATOM 1045 CA GLN A 69 -3.658 -2.342 2.608 1.00 44.21 C ATOM 1046 C GLN A 69 -2.148 -2.507 2.791 1.00 23.34 C ATOM 1047 O GLN A 69 -1.399 -1.534 2.717 1.00 54.11 O ATOM 1048 CB GLN A 69 -4.228 -1.353 3.626 1.00 55.20 C ATOM 1049 CG GLN A 69 -5.543 -0.749 3.127 1.00 61.52 C ATOM 1050 CD GLN A 69 -5.926 0.484 3.947 1.00 53.12 C ATOM 1051 OE1 GLN A 69 -5.115 1.079 4.638 1.00 73.23 O ATOM 1052 NE2 GLN A 69 -7.204 0.834 3.832 1.00 12.21 N ATOM 0 H GLN A 69 -4.685 -3.855 3.631 1.00 15.31 H new ATOM 0 HA GLN A 69 -3.842 -1.935 1.614 1.00 44.21 H new ATOM 0 HB2 GLN A 69 -4.394 -1.859 4.577 1.00 55.20 H new ATOM 0 HB3 GLN A 69 -3.505 -0.558 3.810 1.00 55.20 H new ATOM 0 HG2 GLN A 69 -5.446 -0.476 2.076 1.00 61.52 H new ATOM 0 HG3 GLN A 69 -6.337 -1.493 3.191 1.00 61.52 H new ATOM 0 HE21 GLN A 69 -7.830 0.292 3.236 1.00 12.21 H new ATOM 0 HE22 GLN A 69 -7.558 1.645 4.340 1.00 12.21 H new ATOM 1061 N ASN A 70 -1.745 -3.747 3.028 1.00 61.11 N ATOM 1062 CA ASN A 70 -0.338 -4.053 3.223 1.00 43.43 C ATOM 1063 C ASN A 70 0.325 -4.272 1.861 1.00 3.33 C ATOM 1064 O ASN A 70 1.440 -3.806 1.628 1.00 73.44 O ATOM 1065 CB ASN A 70 -0.160 -5.330 4.046 1.00 52.20 C ATOM 1066 CG ASN A 70 -0.474 -6.571 3.208 1.00 40.43 C ATOM 1067 OD1 ASN A 70 0.310 -7.008 2.382 1.00 62.22 O ATOM 1068 ND2 ASN A 70 -1.662 -7.111 3.465 1.00 24.20 N ATOM 0 H ASN A 70 -2.369 -4.552 3.089 1.00 61.11 H new ATOM 0 HA ASN A 70 0.118 -3.217 3.753 1.00 43.43 H new ATOM 0 HB2 ASN A 70 0.863 -5.387 4.418 1.00 52.20 H new ATOM 0 HB3 ASN A 70 -0.815 -5.300 4.917 1.00 52.20 H new ATOM 0 HD21 ASN A 70 -1.965 -7.942 2.957 1.00 24.20 H new ATOM 0 HD22 ASN A 70 -2.270 -6.694 4.170 1.00 24.20 H new ATOM 1075 N PHE A 71 -0.388 -4.980 0.999 1.00 71.34 N ATOM 1076 CA PHE A 71 0.117 -5.267 -0.333 1.00 42.23 C ATOM 1077 C PHE A 71 -0.179 -4.112 -1.292 1.00 41.12 C ATOM 1078 O PHE A 71 0.070 -4.217 -2.492 1.00 74.52 O ATOM 1079 CB PHE A 71 -0.607 -6.521 -0.826 1.00 24.41 C ATOM 1080 CG PHE A 71 -0.296 -7.779 -0.012 1.00 32.04 C ATOM 1081 CD1 PHE A 71 0.911 -8.392 -0.141 1.00 20.02 C ATOM 1082 CD2 PHE A 71 -1.227 -8.284 0.841 1.00 14.13 C ATOM 1083 CE1 PHE A 71 1.199 -9.559 0.615 1.00 60.22 C ATOM 1084 CE2 PHE A 71 -0.939 -9.451 1.597 1.00 73.20 C ATOM 1085 CZ PHE A 71 0.268 -10.064 1.468 1.00 72.23 C ATOM 0 H PHE A 71 -1.312 -5.364 1.197 1.00 71.34 H new ATOM 0 HA PHE A 71 1.197 -5.408 -0.298 1.00 42.23 H new ATOM 0 HB2 PHE A 71 -1.682 -6.341 -0.801 1.00 24.41 H new ATOM 0 HB3 PHE A 71 -0.337 -6.698 -1.867 1.00 24.41 H new ATOM 0 HD1 PHE A 71 1.651 -7.991 -0.818 1.00 20.02 H new ATOM 0 HD2 PHE A 71 -2.186 -7.797 0.943 1.00 14.13 H new ATOM 0 HE1 PHE A 71 2.158 -10.046 0.513 1.00 60.22 H new ATOM 0 HE2 PHE A 71 -1.679 -9.852 2.274 1.00 73.20 H new ATOM 0 HZ PHE A 71 0.487 -10.952 2.043 1.00 72.23 H new ATOM 1095 N LYS A 72 -0.706 -3.036 -0.727 1.00 4.32 N ATOM 1096 CA LYS A 72 -1.038 -1.862 -1.517 1.00 32.25 C ATOM 1097 C LYS A 72 -1.512 -0.744 -0.586 1.00 30.01 C ATOM 1098 O LYS A 72 -2.077 -1.011 0.474 1.00 44.01 O ATOM 1099 CB LYS A 72 -2.046 -2.221 -2.610 1.00 53.52 C ATOM 1100 CG LYS A 72 -2.204 -1.072 -3.608 1.00 42.35 C ATOM 1101 CD LYS A 72 -1.168 -1.174 -4.730 1.00 1.23 C ATOM 1102 CE LYS A 72 0.103 -0.399 -4.374 1.00 73.04 C ATOM 1103 NZ LYS A 72 0.812 0.025 -5.602 1.00 73.15 N ATOM 0 H LYS A 72 -0.911 -2.952 0.269 1.00 4.32 H new ATOM 0 HA LYS A 72 -0.156 -1.490 -2.038 1.00 32.25 H new ATOM 0 HB2 LYS A 72 -1.717 -3.119 -3.133 1.00 53.52 H new ATOM 0 HB3 LYS A 72 -3.011 -2.451 -2.159 1.00 53.52 H new ATOM 0 HG2 LYS A 72 -3.208 -1.090 -4.032 1.00 42.35 H new ATOM 0 HG3 LYS A 72 -2.093 -0.119 -3.091 1.00 42.35 H new ATOM 0 HD2 LYS A 72 -0.922 -2.221 -4.909 1.00 1.23 H new ATOM 0 HD3 LYS A 72 -1.590 -0.783 -5.656 1.00 1.23 H new ATOM 0 HE2 LYS A 72 -0.153 0.475 -3.774 1.00 73.04 H new ATOM 0 HE3 LYS A 72 0.758 -1.023 -3.766 1.00 73.04 H new ATOM 0 HZ1 LYS A 72 1.672 0.549 -5.343 1.00 73.15 H new ATOM 0 HZ2 LYS A 72 1.073 -0.813 -6.159 1.00 73.15 H new ATOM 0 HZ3 LYS A 72 0.190 0.637 -6.168 1.00 73.15 H new ATOM 1116 N ALA A 73 -1.265 0.485 -1.016 1.00 22.43 N ATOM 1117 CA ALA A 73 -1.659 1.644 -0.234 1.00 51.42 C ATOM 1118 C ALA A 73 -2.961 2.216 -0.799 1.00 40.11 C ATOM 1119 O ALA A 73 -3.239 3.404 -0.646 1.00 13.40 O ATOM 1120 CB ALA A 73 -0.524 2.670 -0.234 1.00 23.12 C ATOM 0 H ALA A 73 -0.797 0.703 -1.896 1.00 22.43 H new ATOM 0 HA ALA A 73 -1.844 1.362 0.803 1.00 51.42 H new ATOM 0 HB1 ALA A 73 -0.820 3.540 0.353 1.00 23.12 H new ATOM 0 HB2 ALA A 73 0.370 2.224 0.203 1.00 23.12 H new ATOM 0 HB3 ALA A 73 -0.312 2.978 -1.258 1.00 23.12 H new ATOM 1126 N GLY A 74 -3.724 1.343 -1.441 1.00 1.24 N ATOM 1127 CA GLY A 74 -4.990 1.746 -2.029 1.00 43.32 C ATOM 1128 C GLY A 74 -5.895 0.536 -2.265 1.00 32.54 C ATOM 1129 O GLY A 74 -6.758 0.562 -3.141 1.00 13.45 O ATOM 0 H GLY A 74 -3.490 0.358 -1.567 1.00 1.24 H new ATOM 0 HA2 GLY A 74 -5.491 2.456 -1.371 1.00 43.32 H new ATOM 0 HA3 GLY A 74 -4.809 2.259 -2.974 1.00 43.32 H new ATOM 1133 N ALA A 75 -5.667 -0.498 -1.467 1.00 51.42 N ATOM 1134 CA ALA A 75 -6.451 -1.716 -1.578 1.00 15.23 C ATOM 1135 C ALA A 75 -7.804 -1.510 -0.893 1.00 72.11 C ATOM 1136 O ALA A 75 -8.117 -0.407 -0.447 1.00 23.32 O ATOM 1137 CB ALA A 75 -5.667 -2.885 -0.979 1.00 3.43 C ATOM 0 H ALA A 75 -4.950 -0.517 -0.741 1.00 51.42 H new ATOM 0 HA ALA A 75 -6.643 -1.955 -2.624 1.00 15.23 H new ATOM 0 HB1 ALA A 75 -6.256 -3.799 -1.062 1.00 3.43 H new ATOM 0 HB2 ALA A 75 -4.728 -3.008 -1.519 1.00 3.43 H new ATOM 0 HB3 ALA A 75 -5.458 -2.683 0.071 1.00 3.43 H new ATOM 1143 N ARG A 76 -8.571 -2.589 -0.832 1.00 24.12 N ATOM 1144 CA ARG A 76 -9.883 -2.541 -0.209 1.00 44.21 C ATOM 1145 C ARG A 76 -9.824 -3.135 1.200 1.00 43.14 C ATOM 1146 O ARG A 76 -8.895 -3.872 1.528 1.00 11.41 O ATOM 1147 CB ARG A 76 -10.914 -3.310 -1.037 1.00 63.30 C ATOM 1148 CG ARG A 76 -10.768 -4.819 -0.830 1.00 22.24 C ATOM 1149 CD ARG A 76 -11.674 -5.307 0.302 1.00 31.33 C ATOM 1150 NE ARG A 76 -12.076 -6.711 0.060 1.00 42.14 N ATOM 1151 CZ ARG A 76 -13.194 -7.276 0.562 1.00 53.32 C ATOM 1152 NH1 ARG A 76 -13.455 -8.539 0.281 1.00 53.34 N ATOM 1153 NH2 ARG A 76 -14.033 -6.560 1.340 1.00 14.42 N ATOM 0 H ARG A 76 -8.309 -3.502 -1.204 1.00 24.12 H new ATOM 0 HA ARG A 76 -10.186 -1.495 -0.153 1.00 44.21 H new ATOM 0 HB2 ARG A 76 -11.919 -2.996 -0.755 1.00 63.30 H new ATOM 0 HB3 ARG A 76 -10.790 -3.070 -2.093 1.00 63.30 H new ATOM 0 HG2 ARG A 76 -11.019 -5.342 -1.753 1.00 22.24 H new ATOM 0 HG3 ARG A 76 -9.730 -5.059 -0.599 1.00 22.24 H new ATOM 0 HD2 ARG A 76 -11.152 -5.229 1.256 1.00 31.33 H new ATOM 0 HD3 ARG A 76 -12.558 -4.673 0.370 1.00 31.33 H new ATOM 0 HE ARG A 76 -11.470 -7.288 -0.523 1.00 42.14 H new ATOM 0 HH11 ARG A 76 -12.816 -9.073 -0.308 1.00 53.34 H new ATOM 0 HH12 ARG A 76 -14.296 -8.981 0.653 1.00 53.34 H new ATOM 0 HH21 ARG A 76 -13.824 -5.584 1.552 1.00 14.42 H new ATOM 0 HH22 ARG A 76 -14.876 -6.994 1.716 1.00 14.42 H new ATOM 1166 N ALA A 77 -10.827 -2.792 1.994 1.00 31.42 N ATOM 1167 CA ALA A 77 -10.901 -3.283 3.360 1.00 51.30 C ATOM 1168 C ALA A 77 -11.976 -4.368 3.450 1.00 11.42 C ATOM 1169 O ALA A 77 -12.999 -4.291 2.772 1.00 51.24 O ATOM 1170 CB ALA A 77 -11.172 -2.113 4.308 1.00 31.14 C ATOM 0 H ALA A 77 -11.595 -2.180 1.718 1.00 31.42 H new ATOM 0 HA ALA A 77 -9.954 -3.732 3.659 1.00 51.30 H new ATOM 0 HB1 ALA A 77 -11.228 -2.480 5.333 1.00 31.14 H new ATOM 0 HB2 ALA A 77 -10.365 -1.385 4.227 1.00 31.14 H new ATOM 0 HB3 ALA A 77 -12.117 -1.639 4.041 1.00 31.14 H new ATOM 1176 N LEU A 78 -11.707 -5.353 4.294 1.00 74.32 N ATOM 1177 CA LEU A 78 -12.639 -6.453 4.482 1.00 41.55 C ATOM 1178 C LEU A 78 -13.839 -5.965 5.295 1.00 13.32 C ATOM 1179 O LEU A 78 -13.702 -5.084 6.143 1.00 35.21 O ATOM 1180 CB LEU A 78 -11.927 -7.659 5.098 1.00 13.40 C ATOM 1181 CG LEU A 78 -10.758 -8.231 4.294 1.00 54.04 C ATOM 1182 CD1 LEU A 78 -11.132 -8.386 2.818 1.00 33.42 C ATOM 1183 CD2 LEU A 78 -9.498 -7.384 4.479 1.00 10.33 C ATOM 0 H LEU A 78 -10.857 -5.413 4.855 1.00 74.32 H new ATOM 0 HA LEU A 78 -13.023 -6.796 3.521 1.00 41.55 H new ATOM 0 HB2 LEU A 78 -11.559 -7.374 6.084 1.00 13.40 H new ATOM 0 HB3 LEU A 78 -12.661 -8.451 5.248 1.00 13.40 H new ATOM 0 HG LEU A 78 -10.535 -9.227 4.677 1.00 54.04 H new ATOM 0 HD11 LEU A 78 -10.284 -8.794 2.269 1.00 33.42 H new ATOM 0 HD12 LEU A 78 -11.982 -9.062 2.727 1.00 33.42 H new ATOM 0 HD13 LEU A 78 -11.397 -7.412 2.406 1.00 33.42 H new ATOM 0 HD21 LEU A 78 -8.683 -7.813 3.897 1.00 10.33 H new ATOM 0 HD22 LEU A 78 -9.691 -6.366 4.139 1.00 10.33 H new ATOM 0 HD23 LEU A 78 -9.222 -7.368 5.533 1.00 10.33 H new ATOM 1195 N SER A 79 -14.989 -6.558 5.008 1.00 24.34 N ATOM 1196 CA SER A 79 -16.212 -6.195 5.703 1.00 72.30 C ATOM 1197 C SER A 79 -16.094 -6.544 7.188 1.00 1.41 C ATOM 1198 O SER A 79 -15.076 -7.078 7.625 1.00 60.42 O ATOM 1199 CB SER A 79 -17.424 -6.898 5.088 1.00 61.12 C ATOM 1200 OG SER A 79 -18.613 -6.666 5.837 1.00 14.54 O ATOM 0 H SER A 79 -15.099 -7.287 4.304 1.00 24.34 H new ATOM 0 HA SER A 79 -16.358 -5.120 5.599 1.00 72.30 H new ATOM 0 HB2 SER A 79 -17.566 -6.548 4.065 1.00 61.12 H new ATOM 0 HB3 SER A 79 -17.233 -7.970 5.034 1.00 61.12 H new ATOM 0 HG SER A 79 -19.364 -7.130 5.411 1.00 14.54 H new ATOM 1206 N ASP A 80 -17.149 -6.226 7.923 1.00 33.04 N ATOM 1207 CA ASP A 80 -17.177 -6.499 9.350 1.00 3.34 C ATOM 1208 C ASP A 80 -17.265 -8.009 9.575 1.00 75.51 C ATOM 1209 O ASP A 80 -16.693 -8.534 10.529 1.00 12.53 O ATOM 1210 CB ASP A 80 -18.394 -5.850 10.012 1.00 73.02 C ATOM 1211 CG ASP A 80 -18.181 -4.412 10.490 1.00 73.33 C ATOM 1212 OD1 ASP A 80 -17.134 -3.801 10.229 1.00 74.11 O ATOM 1213 OD2 ASP A 80 -19.159 -3.912 11.166 1.00 32.22 O ATOM 0 H ASP A 80 -17.991 -5.782 7.557 1.00 33.04 H new ATOM 0 HA ASP A 80 -16.267 -6.089 9.789 1.00 3.34 H new ATOM 0 HB2 ASP A 80 -19.223 -5.863 9.305 1.00 73.02 H new ATOM 0 HB3 ASP A 80 -18.693 -6.460 10.865 1.00 73.02 H new ATOM 1219 N ALA A 81 -17.987 -8.667 8.680 1.00 75.14 N ATOM 1220 CA ALA A 81 -18.159 -10.107 8.768 1.00 24.40 C ATOM 1221 C ALA A 81 -16.863 -10.798 8.337 1.00 51.11 C ATOM 1222 O ALA A 81 -16.438 -11.771 8.958 1.00 60.04 O ATOM 1223 CB ALA A 81 -19.357 -10.532 7.917 1.00 21.41 C ATOM 0 H ALA A 81 -18.460 -8.229 7.890 1.00 75.14 H new ATOM 0 HA ALA A 81 -18.367 -10.406 9.795 1.00 24.40 H new ATOM 0 HB1 ALA A 81 -19.485 -11.612 7.983 1.00 21.41 H new ATOM 0 HB2 ALA A 81 -20.257 -10.036 8.282 1.00 21.41 H new ATOM 0 HB3 ALA A 81 -19.184 -10.250 6.878 1.00 21.41 H new ATOM 1229 N GLU A 82 -16.272 -10.267 7.277 1.00 62.34 N ATOM 1230 CA GLU A 82 -15.033 -10.820 6.755 1.00 34.53 C ATOM 1231 C GLU A 82 -13.908 -10.662 7.780 1.00 54.20 C ATOM 1232 O GLU A 82 -13.184 -11.614 8.064 1.00 63.31 O ATOM 1233 CB GLU A 82 -14.659 -10.167 5.424 1.00 44.41 C ATOM 1234 CG GLU A 82 -15.695 -10.486 4.345 1.00 73.21 C ATOM 1235 CD GLU A 82 -15.846 -9.320 3.366 1.00 3.34 C ATOM 1236 OE1 GLU A 82 -16.963 -9.030 2.914 1.00 73.32 O ATOM 1237 OE2 GLU A 82 -14.749 -8.704 3.080 1.00 51.24 O ATOM 0 H GLU A 82 -16.628 -9.460 6.765 1.00 62.34 H new ATOM 0 HA GLU A 82 -15.182 -11.884 6.570 1.00 34.53 H new ATOM 0 HB2 GLU A 82 -14.584 -9.087 5.553 1.00 44.41 H new ATOM 0 HB3 GLU A 82 -13.678 -10.519 5.106 1.00 44.41 H new ATOM 0 HG2 GLU A 82 -15.396 -11.384 3.803 1.00 73.21 H new ATOM 0 HG3 GLU A 82 -16.657 -10.700 4.811 1.00 73.21 H new ATOM 1245 N THR A 83 -13.798 -9.451 8.307 1.00 24.30 N ATOM 1246 CA THR A 83 -12.773 -9.156 9.294 1.00 10.30 C ATOM 1247 C THR A 83 -13.080 -9.870 10.612 1.00 52.22 C ATOM 1248 O THR A 83 -12.197 -10.037 11.452 1.00 54.02 O ATOM 1249 CB THR A 83 -12.677 -7.635 9.435 1.00 61.31 C ATOM 1250 OG1 THR A 83 -12.050 -7.214 8.227 1.00 43.32 O ATOM 1251 CG2 THR A 83 -11.698 -7.209 10.531 1.00 31.41 C ATOM 0 H THR A 83 -14.401 -8.664 8.069 1.00 24.30 H new ATOM 0 HA THR A 83 -11.799 -9.530 8.977 1.00 10.30 H new ATOM 0 HB THR A 83 -13.664 -7.227 9.652 1.00 61.31 H new ATOM 0 HG1 THR A 83 -12.686 -6.694 7.693 1.00 43.32 H new ATOM 0 HG21 THR A 83 -11.668 -6.121 10.589 1.00 31.41 H new ATOM 0 HG22 THR A 83 -12.025 -7.615 11.488 1.00 31.41 H new ATOM 0 HG23 THR A 83 -10.703 -7.588 10.297 1.00 31.41 H new ATOM 1259 N LYS A 84 -14.335 -10.272 10.751 1.00 2.14 N ATOM 1260 CA LYS A 84 -14.770 -10.964 11.953 1.00 64.23 C ATOM 1261 C LYS A 84 -14.101 -12.339 12.014 1.00 3.11 C ATOM 1262 O LYS A 84 -13.425 -12.661 12.990 1.00 62.31 O ATOM 1263 CB LYS A 84 -16.297 -11.020 12.016 1.00 73.24 C ATOM 1264 CG LYS A 84 -16.857 -9.839 12.810 1.00 1.53 C ATOM 1265 CD LYS A 84 -16.966 -10.181 14.298 1.00 52.54 C ATOM 1266 CE LYS A 84 -18.097 -11.180 14.549 1.00 63.44 C ATOM 1267 NZ LYS A 84 -19.373 -10.667 14.004 1.00 14.53 N ATOM 0 H LYS A 84 -15.064 -10.132 10.052 1.00 2.14 H new ATOM 0 HA LYS A 84 -14.458 -10.417 12.842 1.00 64.23 H new ATOM 0 HB2 LYS A 84 -16.707 -11.011 11.006 1.00 73.24 H new ATOM 0 HB3 LYS A 84 -16.611 -11.956 12.479 1.00 73.24 H new ATOM 0 HG2 LYS A 84 -16.212 -8.970 12.679 1.00 1.53 H new ATOM 0 HG3 LYS A 84 -17.839 -9.569 12.422 1.00 1.53 H new ATOM 0 HD2 LYS A 84 -16.022 -10.599 14.649 1.00 52.54 H new ATOM 0 HD3 LYS A 84 -17.145 -9.272 14.872 1.00 52.54 H new ATOM 0 HE2 LYS A 84 -17.855 -12.136 14.085 1.00 63.44 H new ATOM 0 HE3 LYS A 84 -18.199 -11.362 15.619 1.00 63.44 H new ATOM 0 HZ1 LYS A 84 -20.155 -10.948 14.629 1.00 14.53 H new ATOM 0 HZ2 LYS A 84 -19.333 -9.629 13.944 1.00 14.53 H new ATOM 0 HZ3 LYS A 84 -19.529 -11.062 13.055 1.00 14.53 H new ATOM 1280 N ALA A 85 -14.313 -13.112 10.959 1.00 25.34 N ATOM 1281 CA ALA A 85 -13.739 -14.445 10.881 1.00 4.11 C ATOM 1282 C ALA A 85 -12.216 -14.334 10.776 1.00 32.41 C ATOM 1283 O ALA A 85 -11.498 -15.279 11.100 1.00 41.11 O ATOM 1284 CB ALA A 85 -14.352 -15.196 9.698 1.00 63.23 C ATOM 0 H ALA A 85 -14.874 -12.841 10.151 1.00 25.34 H new ATOM 0 HA ALA A 85 -13.967 -15.015 11.782 1.00 4.11 H new ATOM 0 HB1 ALA A 85 -13.922 -16.196 9.639 1.00 63.23 H new ATOM 0 HB2 ALA A 85 -15.431 -15.273 9.835 1.00 63.23 H new ATOM 0 HB3 ALA A 85 -14.141 -14.655 8.775 1.00 63.23 H new ATOM 1290 N PHE A 86 -11.769 -13.173 10.322 1.00 11.33 N ATOM 1291 CA PHE A 86 -10.345 -12.926 10.171 1.00 71.55 C ATOM 1292 C PHE A 86 -9.681 -12.697 11.529 1.00 5.44 C ATOM 1293 O PHE A 86 -8.461 -12.802 11.654 1.00 74.30 O ATOM 1294 CB PHE A 86 -10.198 -11.661 9.323 1.00 1.05 C ATOM 1295 CG PHE A 86 -8.943 -11.640 8.449 1.00 65.21 C ATOM 1296 CD1 PHE A 86 -7.929 -12.513 8.694 1.00 62.24 C ATOM 1297 CD2 PHE A 86 -8.840 -10.749 7.427 1.00 55.31 C ATOM 1298 CE1 PHE A 86 -6.764 -12.494 7.882 1.00 2.10 C ATOM 1299 CE2 PHE A 86 -7.675 -10.729 6.615 1.00 34.43 C ATOM 1300 CZ PHE A 86 -6.662 -11.602 6.860 1.00 24.40 C ATOM 0 H PHE A 86 -12.368 -12.392 10.054 1.00 11.33 H new ATOM 0 HA PHE A 86 -9.866 -13.786 9.704 1.00 71.55 H new ATOM 0 HB2 PHE A 86 -11.075 -11.561 8.684 1.00 1.05 H new ATOM 0 HB3 PHE A 86 -10.183 -10.793 9.983 1.00 1.05 H new ATOM 0 HD1 PHE A 86 -8.010 -13.221 9.506 1.00 62.24 H new ATOM 0 HD2 PHE A 86 -9.645 -10.056 7.233 1.00 55.31 H new ATOM 0 HE1 PHE A 86 -5.959 -13.188 8.076 1.00 2.10 H new ATOM 0 HE2 PHE A 86 -7.594 -10.021 5.804 1.00 34.43 H new ATOM 0 HZ PHE A 86 -5.776 -11.587 6.243 1.00 24.40 H new ATOM 1310 N LEU A 87 -10.511 -12.386 12.514 1.00 74.43 N ATOM 1311 CA LEU A 87 -10.020 -12.141 13.859 1.00 44.43 C ATOM 1312 C LEU A 87 -9.786 -13.478 14.564 1.00 35.12 C ATOM 1313 O LEU A 87 -8.654 -13.814 14.908 1.00 11.51 O ATOM 1314 CB LEU A 87 -10.966 -11.205 14.613 1.00 53.53 C ATOM 1315 CG LEU A 87 -10.525 -10.794 16.019 1.00 23.30 C ATOM 1316 CD1 LEU A 87 -9.133 -10.159 15.993 1.00 13.32 C ATOM 1317 CD2 LEU A 87 -11.561 -9.879 16.674 1.00 50.11 C ATOM 0 H LEU A 87 -11.522 -12.298 12.407 1.00 74.43 H new ATOM 0 HA LEU A 87 -9.060 -11.626 13.826 1.00 44.43 H new ATOM 0 HB2 LEU A 87 -11.102 -10.302 14.018 1.00 53.53 H new ATOM 0 HB3 LEU A 87 -11.940 -11.688 14.686 1.00 53.53 H new ATOM 0 HG LEU A 87 -10.457 -11.693 16.632 1.00 23.30 H new ATOM 0 HD11 LEU A 87 -8.843 -9.876 17.005 1.00 13.32 H new ATOM 0 HD12 LEU A 87 -8.414 -10.876 15.597 1.00 13.32 H new ATOM 0 HD13 LEU A 87 -9.149 -9.273 15.359 1.00 13.32 H new ATOM 0 HD21 LEU A 87 -11.222 -9.602 17.672 1.00 50.11 H new ATOM 0 HD22 LEU A 87 -11.686 -8.980 16.071 1.00 50.11 H new ATOM 0 HD23 LEU A 87 -12.514 -10.402 16.746 1.00 50.11 H new ATOM 1329 N LYS A 88 -10.876 -14.206 14.759 1.00 53.03 N ATOM 1330 CA LYS A 88 -10.805 -15.499 15.417 1.00 62.40 C ATOM 1331 C LYS A 88 -9.975 -16.458 14.560 1.00 3.54 C ATOM 1332 O LYS A 88 -9.490 -17.475 15.053 1.00 3.22 O ATOM 1333 CB LYS A 88 -12.209 -16.018 15.734 1.00 11.51 C ATOM 1334 CG LYS A 88 -12.571 -15.759 17.198 1.00 53.10 C ATOM 1335 CD LYS A 88 -12.666 -17.071 17.979 1.00 5.15 C ATOM 1336 CE LYS A 88 -12.815 -16.806 19.479 1.00 71.30 C ATOM 1337 NZ LYS A 88 -12.774 -18.077 20.236 1.00 32.31 N ATOM 0 H LYS A 88 -11.814 -13.924 14.472 1.00 53.03 H new ATOM 0 HA LYS A 88 -10.299 -15.409 16.378 1.00 62.40 H new ATOM 0 HB2 LYS A 88 -12.936 -15.531 15.084 1.00 11.51 H new ATOM 0 HB3 LYS A 88 -12.261 -17.087 15.526 1.00 11.51 H new ATOM 0 HG2 LYS A 88 -11.820 -15.114 17.654 1.00 53.10 H new ATOM 0 HG3 LYS A 88 -13.522 -15.229 17.253 1.00 53.10 H new ATOM 0 HD2 LYS A 88 -13.518 -17.650 17.622 1.00 5.15 H new ATOM 0 HD3 LYS A 88 -11.774 -17.671 17.799 1.00 5.15 H new ATOM 0 HE2 LYS A 88 -12.016 -16.147 19.819 1.00 71.30 H new ATOM 0 HE3 LYS A 88 -13.756 -16.291 19.672 1.00 71.30 H new ATOM 0 HZ1 LYS A 88 -12.876 -17.879 21.252 1.00 32.31 H new ATOM 0 HZ2 LYS A 88 -13.551 -18.693 19.923 1.00 32.31 H new ATOM 0 HZ3 LYS A 88 -11.865 -18.553 20.066 1.00 32.31 H new ATOM 1350 N ALA A 89 -9.837 -16.098 13.293 1.00 64.54 N ATOM 1351 CA ALA A 89 -9.073 -16.914 12.363 1.00 54.42 C ATOM 1352 C ALA A 89 -7.680 -17.170 12.941 1.00 52.13 C ATOM 1353 O ALA A 89 -7.303 -18.317 13.176 1.00 50.23 O ATOM 1354 CB ALA A 89 -9.021 -16.220 11.000 1.00 61.21 C ATOM 0 H ALA A 89 -10.241 -15.253 12.888 1.00 64.54 H new ATOM 0 HA ALA A 89 -9.552 -17.882 12.218 1.00 54.42 H new ATOM 0 HB1 ALA A 89 -8.448 -16.831 10.302 1.00 61.21 H new ATOM 0 HB2 ALA A 89 -10.034 -16.088 10.620 1.00 61.21 H new ATOM 0 HB3 ALA A 89 -8.543 -15.246 11.106 1.00 61.21 H new ATOM 1360 N GLY A 90 -6.953 -16.083 13.153 1.00 15.41 N ATOM 1361 CA GLY A 90 -5.610 -16.175 13.699 1.00 31.20 C ATOM 1362 C GLY A 90 -5.602 -15.849 15.194 1.00 41.32 C ATOM 1363 O GLY A 90 -4.917 -16.509 15.973 1.00 4.23 O ATOM 0 H GLY A 90 -7.269 -15.133 12.956 1.00 15.41 H new ATOM 0 HA2 GLY A 90 -5.217 -17.179 13.540 1.00 31.20 H new ATOM 0 HA3 GLY A 90 -4.951 -15.487 13.170 1.00 31.20 H new ATOM 1367 N ASP A 91 -6.372 -14.830 15.549 1.00 63.43 N ATOM 1368 CA ASP A 91 -6.462 -14.408 16.936 1.00 22.32 C ATOM 1369 C ASP A 91 -7.052 -15.545 17.773 1.00 22.12 C ATOM 1370 O ASP A 91 -8.243 -15.542 18.079 1.00 73.24 O ATOM 1371 CB ASP A 91 -7.375 -13.190 17.083 1.00 53.10 C ATOM 1372 CG ASP A 91 -7.089 -12.310 18.302 1.00 73.32 C ATOM 1373 OD1 ASP A 91 -6.100 -12.517 19.020 1.00 11.14 O ATOM 1374 OD2 ASP A 91 -7.944 -11.366 18.505 1.00 12.12 O ATOM 0 H ASP A 91 -6.939 -14.285 14.900 1.00 63.43 H new ATOM 0 HA ASP A 91 -5.459 -14.150 17.276 1.00 22.32 H new ATOM 0 HB2 ASP A 91 -7.288 -12.579 16.184 1.00 53.10 H new ATOM 0 HB3 ASP A 91 -8.408 -13.534 17.136 1.00 53.10 H new ATOM 1380 N SER A 92 -6.190 -16.490 18.121 1.00 54.14 N ATOM 1381 CA SER A 92 -6.611 -17.630 18.916 1.00 33.54 C ATOM 1382 C SER A 92 -6.983 -17.174 20.329 1.00 73.43 C ATOM 1383 O SER A 92 -8.055 -17.409 20.851 1.00 12.41 O ATOM 1384 CB SER A 92 -5.515 -18.696 18.974 1.00 31.23 C ATOM 1385 OG SER A 92 -5.768 -19.772 18.074 1.00 13.24 O ATOM 0 H SER A 92 -5.202 -16.489 17.867 1.00 54.14 H new ATOM 0 HA SER A 92 -7.487 -18.073 18.442 1.00 33.54 H new ATOM 0 HB2 SER A 92 -4.554 -18.241 18.734 1.00 31.23 H new ATOM 0 HB3 SER A 92 -5.440 -19.083 19.990 1.00 31.23 H new ATOM 0 HG SER A 92 -5.045 -20.430 18.140 1.00 13.24 H new ATOM 1391 N ASP A 93 -6.056 -16.502 20.953 1.00 30.20 N ATOM 1392 CA ASP A 93 -6.299 -15.997 22.334 1.00 63.03 C ATOM 1393 C ASP A 93 -7.380 -14.912 22.312 1.00 52.13 C ATOM 1394 O ASP A 93 -7.880 -14.575 23.384 1.00 24.01 O ATOM 1395 CB ASP A 93 -4.959 -15.411 22.782 1.00 72.22 C ATOM 1396 CG ASP A 93 -4.393 -14.523 21.673 1.00 2.32 C ATOM 1397 OD1 ASP A 93 -5.165 -14.093 20.832 1.00 54.02 O ATOM 1398 OD2 ASP A 93 -3.196 -14.287 21.682 1.00 64.13 O ATOM 0 H ASP A 93 -5.139 -16.280 20.566 1.00 30.20 H new ATOM 0 HA ASP A 93 -6.646 -16.780 23.008 1.00 63.03 H new ATOM 0 HB2 ASP A 93 -5.091 -14.831 23.695 1.00 72.22 H new ATOM 0 HB3 ASP A 93 -4.258 -16.213 23.013 1.00 72.22 H new ATOM 1403 N GLY A 94 -7.710 -14.397 21.136 1.00 65.40 N ATOM 1404 CA GLY A 94 -8.722 -13.361 21.030 1.00 50.41 C ATOM 1405 C GLY A 94 -8.621 -12.374 22.195 1.00 44.10 C ATOM 1406 O GLY A 94 -9.488 -12.346 23.067 1.00 62.41 O ATOM 0 H GLY A 94 -7.294 -14.679 20.248 1.00 65.40 H new ATOM 0 HA2 GLY A 94 -8.605 -12.828 20.086 1.00 50.41 H new ATOM 0 HA3 GLY A 94 -9.713 -13.815 21.019 1.00 50.41 H new ATOM 1410 N ASP A 95 -7.554 -11.588 22.172 1.00 73.01 N ATOM 1411 CA ASP A 95 -7.328 -10.602 23.215 1.00 33.44 C ATOM 1412 C ASP A 95 -7.850 -9.242 22.748 1.00 62.23 C ATOM 1413 O ASP A 95 -7.989 -8.318 23.548 1.00 64.24 O ATOM 1414 CB ASP A 95 -5.836 -10.457 23.522 1.00 54.12 C ATOM 1415 CG ASP A 95 -5.069 -11.775 23.641 1.00 32.21 C ATOM 1416 OD1 ASP A 95 -3.875 -11.850 23.317 1.00 25.44 O ATOM 1417 OD2 ASP A 95 -5.758 -12.768 24.094 1.00 4.44 O ATOM 0 H ASP A 95 -6.837 -11.614 21.447 1.00 73.01 H new ATOM 0 HA ASP A 95 -7.850 -10.935 24.112 1.00 33.44 H new ATOM 0 HB2 ASP A 95 -5.376 -9.856 22.738 1.00 54.12 H new ATOM 0 HB3 ASP A 95 -5.724 -9.904 24.454 1.00 54.12 H new ATOM 1423 N GLY A 96 -8.124 -9.162 21.454 1.00 33.50 N ATOM 1424 CA GLY A 96 -8.627 -7.931 20.870 1.00 15.32 C ATOM 1425 C GLY A 96 -7.680 -7.410 19.787 1.00 33.31 C ATOM 1426 O GLY A 96 -7.860 -6.305 19.279 1.00 53.30 O ATOM 0 H GLY A 96 -8.007 -9.930 20.794 1.00 33.50 H new ATOM 0 HA2 GLY A 96 -9.614 -8.104 20.442 1.00 15.32 H new ATOM 0 HA3 GLY A 96 -8.745 -7.177 21.648 1.00 15.32 H new ATOM 1430 N LYS A 97 -6.692 -8.232 19.466 1.00 70.14 N ATOM 1431 CA LYS A 97 -5.716 -7.869 18.452 1.00 13.31 C ATOM 1432 C LYS A 97 -5.155 -9.140 17.812 1.00 3.20 C ATOM 1433 O LYS A 97 -5.525 -10.248 18.196 1.00 22.22 O ATOM 1434 CB LYS A 97 -4.643 -6.953 19.045 1.00 35.00 C ATOM 1435 CG LYS A 97 -5.275 -5.728 19.710 1.00 45.13 C ATOM 1436 CD LYS A 97 -4.201 -4.734 20.158 1.00 55.52 C ATOM 1437 CE LYS A 97 -3.425 -5.270 21.362 1.00 34.21 C ATOM 1438 NZ LYS A 97 -2.452 -4.264 21.842 1.00 50.32 N ATOM 0 H LYS A 97 -6.546 -9.148 19.890 1.00 70.14 H new ATOM 0 HA LYS A 97 -6.189 -7.294 17.656 1.00 13.31 H new ATOM 0 HB2 LYS A 97 -4.053 -7.505 19.777 1.00 35.00 H new ATOM 0 HB3 LYS A 97 -3.959 -6.632 18.260 1.00 35.00 H new ATOM 0 HG2 LYS A 97 -5.957 -5.242 19.012 1.00 45.13 H new ATOM 0 HG3 LYS A 97 -5.867 -6.041 20.570 1.00 45.13 H new ATOM 0 HD2 LYS A 97 -3.513 -4.541 19.335 1.00 55.52 H new ATOM 0 HD3 LYS A 97 -4.666 -3.782 20.415 1.00 55.52 H new ATOM 0 HE2 LYS A 97 -4.118 -5.526 22.164 1.00 34.21 H new ATOM 0 HE3 LYS A 97 -2.903 -6.187 21.087 1.00 34.21 H new ATOM 0 HZ1 LYS A 97 -2.261 -4.420 22.852 1.00 50.32 H new ATOM 0 HZ2 LYS A 97 -1.566 -4.354 21.304 1.00 50.32 H new ATOM 0 HZ3 LYS A 97 -2.844 -3.310 21.707 1.00 50.32 H new ATOM 1451 N ILE A 98 -4.270 -8.937 16.847 1.00 52.13 N ATOM 1452 CA ILE A 98 -3.654 -10.053 16.150 1.00 61.03 C ATOM 1453 C ILE A 98 -2.155 -9.787 15.995 1.00 51.02 C ATOM 1454 O ILE A 98 -1.748 -8.975 15.166 1.00 44.32 O ATOM 1455 CB ILE A 98 -4.371 -10.319 14.825 1.00 73.32 C ATOM 1456 CG1 ILE A 98 -5.637 -11.151 15.044 1.00 24.30 C ATOM 1457 CG2 ILE A 98 -3.427 -10.968 13.811 1.00 71.32 C ATOM 1458 CD1 ILE A 98 -6.099 -11.801 13.738 1.00 25.22 C ATOM 0 H ILE A 98 -3.965 -8.016 16.532 1.00 52.13 H new ATOM 0 HA ILE A 98 -3.758 -10.969 16.732 1.00 61.03 H new ATOM 0 HB ILE A 98 -4.683 -9.362 14.407 1.00 73.32 H new ATOM 0 HG12 ILE A 98 -5.445 -11.922 15.790 1.00 24.30 H new ATOM 0 HG13 ILE A 98 -6.430 -10.516 15.439 1.00 24.30 H new ATOM 0 HG21 ILE A 98 -3.962 -11.146 12.878 1.00 71.32 H new ATOM 0 HG22 ILE A 98 -2.582 -10.305 13.624 1.00 71.32 H new ATOM 0 HG23 ILE A 98 -3.063 -11.916 14.207 1.00 71.32 H new ATOM 0 HD11 ILE A 98 -7.000 -12.386 13.922 1.00 25.22 H new ATOM 0 HD12 ILE A 98 -6.313 -11.026 13.002 1.00 25.22 H new ATOM 0 HD13 ILE A 98 -5.313 -12.454 13.359 1.00 25.22 H new ATOM 1470 N GLY A 99 -1.376 -10.487 16.806 1.00 45.13 N ATOM 1471 CA GLY A 99 0.069 -10.337 16.769 1.00 3.42 C ATOM 1472 C GLY A 99 0.685 -11.217 15.680 1.00 71.21 C ATOM 1473 O GLY A 99 -0.014 -11.673 14.777 1.00 74.34 O ATOM 0 H GLY A 99 -1.718 -11.159 17.493 1.00 45.13 H new ATOM 0 HA2 GLY A 99 0.325 -9.293 16.586 1.00 3.42 H new ATOM 0 HA3 GLY A 99 0.491 -10.603 17.738 1.00 3.42 H new ATOM 1477 N ILE A 100 1.987 -11.430 15.801 1.00 10.22 N ATOM 1478 CA ILE A 100 2.705 -12.248 14.838 1.00 14.41 C ATOM 1479 C ILE A 100 2.444 -13.726 15.136 1.00 0.50 C ATOM 1480 O ILE A 100 2.097 -14.492 14.238 1.00 3.43 O ATOM 1481 CB ILE A 100 4.189 -11.876 14.820 1.00 32.24 C ATOM 1482 CG1 ILE A 100 4.799 -12.122 13.439 1.00 50.11 C ATOM 1483 CG2 ILE A 100 4.952 -12.613 15.923 1.00 34.12 C ATOM 1484 CD1 ILE A 100 4.715 -13.601 13.057 1.00 35.25 C ATOM 0 H ILE A 100 2.564 -11.050 16.552 1.00 10.22 H new ATOM 0 HA ILE A 100 2.341 -12.057 13.829 1.00 14.41 H new ATOM 0 HB ILE A 100 4.276 -10.809 15.025 1.00 32.24 H new ATOM 0 HG12 ILE A 100 4.277 -11.521 12.695 1.00 50.11 H new ATOM 0 HG13 ILE A 100 5.841 -11.801 13.435 1.00 50.11 H new ATOM 0 HG21 ILE A 100 6.004 -12.331 15.888 1.00 34.12 H new ATOM 0 HG22 ILE A 100 4.536 -12.345 16.894 1.00 34.12 H new ATOM 0 HG23 ILE A 100 4.860 -13.689 15.773 1.00 34.12 H new ATOM 0 HD11 ILE A 100 5.156 -13.748 12.071 1.00 35.25 H new ATOM 0 HD12 ILE A 100 5.258 -14.197 13.790 1.00 35.25 H new ATOM 0 HD13 ILE A 100 3.671 -13.913 13.038 1.00 35.25 H new ATOM 1496 N ASP A 101 2.621 -14.082 16.400 1.00 50.41 N ATOM 1497 CA ASP A 101 2.409 -15.454 16.827 1.00 23.23 C ATOM 1498 C ASP A 101 1.007 -15.903 16.410 1.00 24.23 C ATOM 1499 O ASP A 101 0.774 -17.089 16.182 1.00 33.12 O ATOM 1500 CB ASP A 101 2.513 -15.579 18.349 1.00 73.44 C ATOM 1501 CG ASP A 101 2.099 -14.331 19.130 1.00 41.41 C ATOM 1502 OD1 ASP A 101 0.918 -14.145 19.459 1.00 70.21 O ATOM 1503 OD2 ASP A 101 3.061 -13.516 19.405 1.00 71.20 O ATOM 0 H ASP A 101 2.909 -13.444 17.142 1.00 50.41 H new ATOM 0 HA ASP A 101 3.174 -16.075 16.361 1.00 23.23 H new ATOM 0 HB2 ASP A 101 1.892 -16.414 18.673 1.00 73.44 H new ATOM 0 HB3 ASP A 101 3.542 -15.827 18.609 1.00 73.44 H new ATOM 1509 N GLU A 102 0.111 -14.931 16.323 1.00 30.52 N ATOM 1510 CA GLU A 102 -1.262 -15.212 15.938 1.00 44.24 C ATOM 1511 C GLU A 102 -1.409 -15.146 14.416 1.00 34.51 C ATOM 1512 O GLU A 102 -2.020 -16.025 13.810 1.00 75.20 O ATOM 1513 CB GLU A 102 -2.232 -14.249 16.625 1.00 42.35 C ATOM 1514 CG GLU A 102 -2.261 -14.485 18.136 1.00 45.31 C ATOM 1515 CD GLU A 102 -2.822 -13.265 18.871 1.00 64.54 C ATOM 1516 OE1 GLU A 102 -3.802 -12.691 18.350 1.00 35.34 O ATOM 1517 OE2 GLU A 102 -2.257 -12.935 19.936 1.00 70.41 O ATOM 0 H GLU A 102 0.309 -13.948 16.512 1.00 30.52 H new ATOM 0 HA GLU A 102 -1.512 -16.221 16.265 1.00 44.24 H new ATOM 0 HB2 GLU A 102 -1.935 -13.220 16.420 1.00 42.35 H new ATOM 0 HB3 GLU A 102 -3.233 -14.380 16.214 1.00 42.35 H new ATOM 0 HG2 GLU A 102 -2.871 -15.361 18.359 1.00 45.31 H new ATOM 0 HG3 GLU A 102 -1.254 -14.698 18.494 1.00 45.31 H new ATOM 1524 N PHE A 103 -0.840 -14.097 13.843 1.00 44.23 N ATOM 1525 CA PHE A 103 -0.900 -13.905 12.404 1.00 72.34 C ATOM 1526 C PHE A 103 -0.261 -15.084 11.666 1.00 15.02 C ATOM 1527 O PHE A 103 -0.647 -15.400 10.542 1.00 51.13 O ATOM 1528 CB PHE A 103 -0.111 -12.633 12.088 1.00 62.40 C ATOM 1529 CG PHE A 103 0.239 -12.469 10.607 1.00 33.35 C ATOM 1530 CD1 PHE A 103 -0.704 -12.032 9.731 1.00 53.35 C ATOM 1531 CD2 PHE A 103 1.492 -12.761 10.168 1.00 4.14 C ATOM 1532 CE1 PHE A 103 -0.380 -11.880 8.357 1.00 41.54 C ATOM 1533 CE2 PHE A 103 1.817 -12.609 8.794 1.00 12.33 C ATOM 1534 CZ PHE A 103 0.874 -12.171 7.917 1.00 32.24 C ATOM 0 H PHE A 103 -0.335 -13.370 14.349 1.00 44.23 H new ATOM 0 HA PHE A 103 -1.939 -13.829 12.082 1.00 72.34 H new ATOM 0 HB2 PHE A 103 -0.691 -11.768 12.412 1.00 62.40 H new ATOM 0 HB3 PHE A 103 0.810 -12.635 12.670 1.00 62.40 H new ATOM 0 HD1 PHE A 103 -1.699 -11.800 10.080 1.00 53.35 H new ATOM 0 HD2 PHE A 103 2.241 -13.109 10.864 1.00 4.14 H new ATOM 0 HE1 PHE A 103 -1.129 -11.533 7.661 1.00 41.54 H new ATOM 0 HE2 PHE A 103 2.813 -12.841 8.445 1.00 12.33 H new ATOM 0 HZ PHE A 103 1.121 -12.054 6.872 1.00 32.24 H new ATOM 1544 N ALA A 104 0.705 -15.702 12.330 1.00 75.35 N ATOM 1545 CA ALA A 104 1.400 -16.839 11.751 1.00 25.11 C ATOM 1546 C ALA A 104 0.626 -18.120 12.067 1.00 23.34 C ATOM 1547 O ALA A 104 0.963 -19.193 11.568 1.00 5.23 O ATOM 1548 CB ALA A 104 2.836 -16.881 12.278 1.00 44.44 C ATOM 0 H ALA A 104 1.022 -15.437 13.262 1.00 75.35 H new ATOM 0 HA ALA A 104 1.452 -16.745 10.666 1.00 25.11 H new ATOM 0 HB1 ALA A 104 3.358 -17.734 11.844 1.00 44.44 H new ATOM 0 HB2 ALA A 104 3.352 -15.961 12.002 1.00 44.44 H new ATOM 0 HB3 ALA A 104 2.822 -16.978 13.364 1.00 44.44 H new ATOM 1554 N ALA A 105 -0.397 -17.966 12.895 1.00 70.43 N ATOM 1555 CA ALA A 105 -1.222 -19.098 13.284 1.00 41.45 C ATOM 1556 C ALA A 105 -2.256 -19.370 12.189 1.00 43.51 C ATOM 1557 O ALA A 105 -2.345 -20.485 11.677 1.00 4.42 O ATOM 1558 CB ALA A 105 -1.870 -18.815 14.640 1.00 10.33 C ATOM 0 H ALA A 105 -0.673 -17.075 13.307 1.00 70.43 H new ATOM 0 HA ALA A 105 -0.614 -19.996 13.394 1.00 41.45 H new ATOM 0 HB1 ALA A 105 -2.489 -19.664 14.932 1.00 10.33 H new ATOM 0 HB2 ALA A 105 -1.093 -18.658 15.389 1.00 10.33 H new ATOM 0 HB3 ALA A 105 -2.490 -17.922 14.567 1.00 10.33 H new ATOM 1564 N MET A 106 -3.011 -18.331 11.862 1.00 71.41 N ATOM 1565 CA MET A 106 -4.035 -18.444 10.837 1.00 33.23 C ATOM 1566 C MET A 106 -3.462 -19.047 9.553 1.00 31.22 C ATOM 1567 O MET A 106 -4.189 -19.659 8.772 1.00 53.52 O ATOM 1568 CB MET A 106 -4.613 -17.059 10.538 1.00 63.42 C ATOM 1569 CG MET A 106 -3.502 -16.065 10.192 1.00 31.34 C ATOM 1570 SD MET A 106 -4.005 -14.411 10.634 1.00 40.50 S ATOM 1571 CE MET A 106 -5.709 -14.453 10.105 1.00 52.24 C ATOM 0 H MET A 106 -2.934 -17.408 12.288 1.00 71.41 H new ATOM 0 HA MET A 106 -4.821 -19.103 11.206 1.00 33.23 H new ATOM 0 HB2 MET A 106 -5.317 -17.126 9.709 1.00 63.42 H new ATOM 0 HB3 MET A 106 -5.171 -16.700 11.402 1.00 63.42 H new ATOM 0 HG2 MET A 106 -2.587 -16.330 10.722 1.00 31.34 H new ATOM 0 HG3 MET A 106 -3.278 -16.113 9.126 1.00 31.34 H new ATOM 0 HE1 MET A 106 -6.137 -13.453 10.177 1.00 52.24 H new ATOM 0 HE2 MET A 106 -5.761 -14.797 9.072 1.00 52.24 H new ATOM 0 HE3 MET A 106 -6.271 -15.135 10.743 1.00 52.24 H new ATOM 1581 N ILE A 107 -2.164 -18.854 9.375 1.00 64.01 N ATOM 1582 CA ILE A 107 -1.485 -19.371 8.199 1.00 65.10 C ATOM 1583 C ILE A 107 -0.905 -20.751 8.516 1.00 64.11 C ATOM 1584 O ILE A 107 -1.002 -21.671 7.705 1.00 53.43 O ATOM 1585 CB ILE A 107 -0.445 -18.368 7.696 1.00 3.32 C ATOM 1586 CG1 ILE A 107 0.457 -17.894 8.838 1.00 51.10 C ATOM 1587 CG2 ILE A 107 -1.116 -17.198 6.973 1.00 60.51 C ATOM 1588 CD1 ILE A 107 1.680 -17.150 8.298 1.00 11.41 C ATOM 0 H ILE A 107 -1.564 -18.347 10.025 1.00 64.01 H new ATOM 0 HA ILE A 107 -2.191 -19.502 7.379 1.00 65.10 H new ATOM 0 HB ILE A 107 0.192 -18.873 6.970 1.00 3.32 H new ATOM 0 HG12 ILE A 107 -0.106 -17.240 9.504 1.00 51.10 H new ATOM 0 HG13 ILE A 107 0.780 -18.750 9.430 1.00 51.10 H new ATOM 0 HG21 ILE A 107 -0.354 -16.500 6.626 1.00 60.51 H new ATOM 0 HG22 ILE A 107 -1.681 -17.573 6.119 1.00 60.51 H new ATOM 0 HG23 ILE A 107 -1.792 -16.686 7.658 1.00 60.51 H new ATOM 0 HD11 ILE A 107 2.304 -16.824 9.130 1.00 11.41 H new ATOM 0 HD12 ILE A 107 2.254 -17.814 7.652 1.00 11.41 H new ATOM 0 HD13 ILE A 107 1.354 -16.281 7.727 1.00 11.41 H new ATOM 1600 N LYS A 108 -0.314 -20.852 9.697 1.00 24.23 N ATOM 1601 CA LYS A 108 0.282 -22.104 10.131 1.00 20.44 C ATOM 1602 C LYS A 108 -0.820 -23.148 10.326 1.00 1.22 C ATOM 1603 O LYS A 108 -0.541 -24.344 10.401 1.00 13.53 O ATOM 1604 CB LYS A 108 1.147 -21.884 11.374 1.00 12.02 C ATOM 1605 CG LYS A 108 1.646 -23.216 11.939 1.00 55.15 C ATOM 1606 CD LYS A 108 3.063 -23.078 12.498 1.00 12.01 C ATOM 1607 CE LYS A 108 3.776 -24.431 12.524 1.00 62.22 C ATOM 1608 NZ LYS A 108 5.128 -24.294 13.111 1.00 14.44 N ATOM 0 H LYS A 108 -0.235 -20.087 10.367 1.00 24.23 H new ATOM 0 HA LYS A 108 0.956 -22.490 9.366 1.00 20.44 H new ATOM 0 HB2 LYS A 108 1.998 -21.251 11.122 1.00 12.02 H new ATOM 0 HB3 LYS A 108 0.570 -21.356 12.134 1.00 12.02 H new ATOM 0 HG2 LYS A 108 0.973 -23.557 12.726 1.00 55.15 H new ATOM 0 HG3 LYS A 108 1.632 -23.975 11.157 1.00 55.15 H new ATOM 0 HD2 LYS A 108 3.631 -22.375 11.889 1.00 12.01 H new ATOM 0 HD3 LYS A 108 3.022 -22.665 13.506 1.00 12.01 H new ATOM 0 HE2 LYS A 108 3.192 -25.145 13.104 1.00 62.22 H new ATOM 0 HE3 LYS A 108 3.851 -24.828 11.512 1.00 62.22 H new ATOM 0 HZ1 LYS A 108 5.598 -25.222 13.121 1.00 14.44 H new ATOM 0 HZ2 LYS A 108 5.688 -23.628 12.541 1.00 14.44 H new ATOM 0 HZ3 LYS A 108 5.049 -23.935 14.084 1.00 14.44 H new ATOM 1621 N GLY A 109 -2.048 -22.657 10.402 1.00 33.34 N ATOM 1622 CA GLY A 109 -3.193 -23.532 10.587 1.00 75.50 C ATOM 1623 C GLY A 109 -4.359 -22.781 11.233 1.00 33.11 C ATOM 1624 O GLY A 109 -5.461 -22.749 10.687 1.00 62.32 O ATOM 0 H GLY A 109 -2.275 -21.665 10.339 1.00 33.34 H new ATOM 0 HA2 GLY A 109 -3.505 -23.936 9.624 1.00 75.50 H new ATOM 0 HA3 GLY A 109 -2.911 -24.379 11.212 1.00 75.50 H new