USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 577 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 55 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -39:sc= 0.188 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 19 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 23 TYR OH : rot -179:sc= 1.32 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 5.814 -4.656 -2.298 1.00 41.03 N ATOM 26 CA THR A 3 7.155 -5.065 -2.696 1.00 42.12 C ATOM 27 C THR A 3 7.920 -5.660 -1.520 1.00 23.12 C ATOM 28 O THR A 3 7.718 -5.264 -0.372 1.00 34.25 O ATOM 29 CB THR A 3 7.957 -3.881 -3.269 1.00 52.11 C ATOM 30 OG1 THR A 3 7.869 -2.757 -2.386 1.00 62.00 O ATOM 31 CG2 THR A 3 7.439 -3.492 -4.646 1.00 31.24 C ATOM 0 HA THR A 3 7.037 -5.823 -3.470 1.00 42.12 H new ATOM 0 HB THR A 3 8.999 -4.188 -3.363 1.00 52.11 H new ATOM 0 HG1 THR A 3 6.963 -2.701 -2.017 1.00 62.00 H new ATOM 0 HG21 THR A 3 8.021 -2.654 -5.030 1.00 31.24 H new ATOM 0 HG22 THR A 3 7.534 -4.341 -5.324 1.00 31.24 H new ATOM 0 HG23 THR A 3 6.391 -3.202 -4.572 1.00 31.24 H new ATOM 39 N ILE A 4 8.800 -6.612 -1.813 1.00 11.12 N ATOM 40 CA ILE A 4 9.597 -7.260 -0.778 1.00 55.23 C ATOM 41 C ILE A 4 10.302 -6.230 0.098 1.00 35.22 C ATOM 42 O ILE A 4 10.407 -6.402 1.313 1.00 53.32 O ATOM 43 CB ILE A 4 10.649 -8.205 -1.387 1.00 74.35 C ATOM 44 CG1 ILE A 4 9.968 -9.286 -2.230 1.00 51.34 C ATOM 45 CG2 ILE A 4 11.493 -8.836 -0.290 1.00 51.30 C ATOM 46 CD1 ILE A 4 8.960 -10.109 -1.459 1.00 2.43 C ATOM 0 H ILE A 4 8.979 -6.952 -2.758 1.00 11.12 H new ATOM 0 HA ILE A 4 8.907 -7.843 -0.167 1.00 55.23 H new ATOM 0 HB ILE A 4 11.305 -7.624 -2.035 1.00 74.35 H new ATOM 0 HG12 ILE A 4 9.468 -8.814 -3.076 1.00 51.34 H new ATOM 0 HG13 ILE A 4 10.730 -9.950 -2.639 1.00 51.34 H new ATOM 0 HG21 ILE A 4 12.232 -9.501 -0.737 1.00 51.30 H new ATOM 0 HG22 ILE A 4 12.002 -8.054 0.273 1.00 51.30 H new ATOM 0 HG23 ILE A 4 10.850 -9.406 0.381 1.00 51.30 H new ATOM 0 HD11 ILE A 4 8.518 -10.855 -2.120 1.00 2.43 H new ATOM 0 HD12 ILE A 4 9.458 -10.610 -0.629 1.00 2.43 H new ATOM 0 HD13 ILE A 4 8.177 -9.457 -1.072 1.00 2.43 H new ATOM 58 N ASP A 5 10.781 -5.160 -0.525 1.00 43.04 N ATOM 59 CA ASP A 5 11.474 -4.100 0.198 1.00 61.01 C ATOM 60 C ASP A 5 10.620 -3.581 1.350 1.00 2.34 C ATOM 61 O ASP A 5 11.143 -3.136 2.372 1.00 2.22 O ATOM 62 CB ASP A 5 11.826 -2.952 -0.750 1.00 22.42 C ATOM 63 CG ASP A 5 13.306 -2.905 -1.077 1.00 53.02 C ATOM 64 OD1 ASP A 5 13.840 -3.927 -1.556 1.00 20.03 O ATOM 65 OD2 ASP A 5 13.930 -1.846 -0.854 1.00 75.11 O ATOM 0 H ASP A 5 10.702 -5.003 -1.530 1.00 43.04 H new ATOM 0 HA ASP A 5 12.394 -4.516 0.609 1.00 61.01 H new ATOM 0 HB2 ASP A 5 11.256 -3.059 -1.673 1.00 22.42 H new ATOM 0 HB3 ASP A 5 11.526 -2.006 -0.298 1.00 22.42 H new ATOM 70 N ASP A 6 9.304 -3.640 1.178 1.00 3.41 N ATOM 71 CA ASP A 6 8.377 -3.175 2.204 1.00 63.33 C ATOM 72 C ASP A 6 8.469 -4.046 3.453 1.00 13.20 C ATOM 73 O ASP A 6 8.252 -3.573 4.568 1.00 12.12 O ATOM 74 CB ASP A 6 6.945 -3.180 1.667 1.00 61.51 C ATOM 75 CG ASP A 6 6.064 -2.160 2.359 1.00 14.15 C ATOM 76 OD1 ASP A 6 6.479 -0.986 2.456 1.00 74.23 O ATOM 77 OD2 ASP A 6 4.959 -2.535 2.806 1.00 21.01 O ATOM 0 H ASP A 6 8.855 -4.005 0.338 1.00 3.41 H new ATOM 0 HA ASP A 6 8.652 -2.155 2.473 1.00 63.33 H new ATOM 0 HB2 ASP A 6 6.961 -2.975 0.596 1.00 61.51 H new ATOM 0 HB3 ASP A 6 6.515 -4.174 1.795 1.00 61.51 H new ATOM 82 N ALA A 7 8.790 -5.321 3.258 1.00 41.53 N ATOM 83 CA ALA A 7 8.911 -6.257 4.368 1.00 11.33 C ATOM 84 C ALA A 7 10.087 -5.892 5.268 1.00 60.50 C ATOM 85 O ALA A 7 9.967 -5.892 6.493 1.00 4.33 O ATOM 86 CB ALA A 7 9.063 -7.678 3.847 1.00 43.25 C ATOM 0 H ALA A 7 8.971 -5.729 2.341 1.00 41.53 H new ATOM 0 HA ALA A 7 8.000 -6.196 4.963 1.00 11.33 H new ATOM 0 HB1 ALA A 7 9.152 -8.366 4.688 1.00 43.25 H new ATOM 0 HB2 ALA A 7 8.189 -7.943 3.252 1.00 43.25 H new ATOM 0 HB3 ALA A 7 9.957 -7.745 3.227 1.00 43.25 H new ATOM 92 N PHE A 8 11.224 -5.584 4.652 1.00 15.12 N ATOM 93 CA PHE A 8 12.422 -5.219 5.398 1.00 25.40 C ATOM 94 C PHE A 8 12.224 -3.899 6.136 1.00 54.54 C ATOM 95 O PHE A 8 12.781 -3.687 7.213 1.00 52.11 O ATOM 96 CB PHE A 8 13.623 -5.114 4.455 1.00 30.32 C ATOM 97 CG PHE A 8 13.768 -6.293 3.536 1.00 41.04 C ATOM 98 CD1 PHE A 8 13.615 -7.584 4.014 1.00 64.42 C ATOM 99 CD2 PHE A 8 14.058 -6.110 2.193 1.00 13.51 C ATOM 100 CE1 PHE A 8 13.748 -8.671 3.170 1.00 31.33 C ATOM 101 CE2 PHE A 8 14.191 -7.192 1.345 1.00 71.52 C ATOM 102 CZ PHE A 8 14.037 -8.475 1.834 1.00 0.12 C ATOM 0 H PHE A 8 11.340 -5.580 3.639 1.00 15.12 H new ATOM 0 HA PHE A 8 12.613 -6.000 6.134 1.00 25.40 H new ATOM 0 HB2 PHE A 8 13.528 -4.207 3.858 1.00 30.32 H new ATOM 0 HB3 PHE A 8 14.532 -5.011 5.047 1.00 30.32 H new ATOM 0 HD1 PHE A 8 13.389 -7.743 5.058 1.00 64.42 H new ATOM 0 HD2 PHE A 8 14.181 -5.110 1.805 1.00 13.51 H new ATOM 0 HE1 PHE A 8 13.626 -9.673 3.555 1.00 31.33 H new ATOM 0 HE2 PHE A 8 14.415 -7.035 0.300 1.00 71.52 H new ATOM 0 HZ PHE A 8 14.142 -9.323 1.173 1.00 0.12 H new ATOM 112 N ARG A 9 11.426 -3.013 5.547 1.00 20.30 N ATOM 113 CA ARG A 9 11.155 -1.712 6.146 1.00 34.34 C ATOM 114 C ARG A 9 10.130 -1.835 7.271 1.00 42.23 C ATOM 115 O ARG A 9 10.189 -1.105 8.260 1.00 43.02 O ATOM 116 CB ARG A 9 10.648 -0.734 5.085 1.00 3.32 C ATOM 117 CG ARG A 9 11.712 -0.318 4.083 1.00 65.23 C ATOM 118 CD ARG A 9 11.261 0.873 3.252 1.00 33.21 C ATOM 119 NE ARG A 9 11.168 2.093 4.050 1.00 64.24 N ATOM 120 CZ ARG A 9 10.667 3.234 3.591 1.00 3.31 C ATOM 121 NH1 ARG A 9 10.215 3.311 2.347 1.00 3.50 N ATOM 122 NH2 ARG A 9 10.617 4.302 4.378 1.00 60.32 N ATOM 0 H ARG A 9 10.956 -3.173 4.656 1.00 20.30 H new ATOM 0 HA ARG A 9 12.086 -1.332 6.565 1.00 34.34 H new ATOM 0 HB2 ARG A 9 9.816 -1.191 4.550 1.00 3.32 H new ATOM 0 HB3 ARG A 9 10.259 0.156 5.580 1.00 3.32 H new ATOM 0 HG2 ARG A 9 12.632 -0.067 4.611 1.00 65.23 H new ATOM 0 HG3 ARG A 9 11.941 -1.156 3.425 1.00 65.23 H new ATOM 0 HD2 ARG A 9 11.962 1.029 2.432 1.00 33.21 H new ATOM 0 HD3 ARG A 9 10.290 0.657 2.806 1.00 33.21 H new ATOM 0 HE ARG A 9 11.506 2.067 5.012 1.00 64.24 H new ATOM 0 HH11 ARG A 9 10.251 2.492 1.740 1.00 3.50 H new ATOM 0 HH12 ARG A 9 9.831 4.189 1.997 1.00 3.50 H new ATOM 0 HH21 ARG A 9 10.964 4.246 5.336 1.00 60.32 H new ATOM 0 HH22 ARG A 9 10.232 5.178 4.025 1.00 60.32 H new ATOM 136 N ALA A 10 9.192 -2.762 7.111 1.00 72.22 N ATOM 137 CA ALA A 10 8.156 -2.981 8.112 1.00 33.34 C ATOM 138 C ALA A 10 8.708 -3.736 9.317 1.00 13.53 C ATOM 139 O ALA A 10 8.191 -3.613 10.428 1.00 15.01 O ATOM 140 CB ALA A 10 6.985 -3.739 7.504 1.00 62.22 C ATOM 0 H ALA A 10 9.128 -3.374 6.297 1.00 72.22 H new ATOM 0 HA ALA A 10 7.806 -2.007 8.455 1.00 33.34 H new ATOM 0 HB1 ALA A 10 6.219 -3.895 8.264 1.00 62.22 H new ATOM 0 HB2 ALA A 10 6.566 -3.162 6.680 1.00 62.22 H new ATOM 0 HB3 ALA A 10 7.330 -4.704 7.133 1.00 62.22 H new ATOM 146 N ILE A 11 9.759 -4.515 9.090 1.00 22.53 N ATOM 147 CA ILE A 11 10.381 -5.289 10.158 1.00 14.11 C ATOM 148 C ILE A 11 10.687 -4.411 11.367 1.00 52.35 C ATOM 149 O ILE A 11 10.710 -4.886 12.501 1.00 34.12 O ATOM 150 CB ILE A 11 11.683 -5.960 9.682 1.00 34.35 C ATOM 151 CG1 ILE A 11 11.972 -7.210 10.517 1.00 50.22 C ATOM 152 CG2 ILE A 11 12.844 -4.981 9.765 1.00 61.23 C ATOM 153 CD1 ILE A 11 11.047 -8.367 10.212 1.00 63.52 C ATOM 0 H ILE A 11 10.198 -4.628 8.176 1.00 22.53 H new ATOM 0 HA ILE A 11 9.667 -6.062 10.445 1.00 14.11 H new ATOM 0 HB ILE A 11 11.561 -6.261 8.641 1.00 34.35 H new ATOM 0 HG12 ILE A 11 13.002 -7.523 10.344 1.00 50.22 H new ATOM 0 HG13 ILE A 11 11.889 -6.958 11.574 1.00 50.22 H new ATOM 0 HG21 ILE A 11 13.757 -5.470 9.425 1.00 61.23 H new ATOM 0 HG22 ILE A 11 12.638 -4.118 9.133 1.00 61.23 H new ATOM 0 HG23 ILE A 11 12.970 -4.653 10.797 1.00 61.23 H new ATOM 0 HD11 ILE A 11 11.310 -9.218 10.840 1.00 63.52 H new ATOM 0 HD12 ILE A 11 10.017 -8.072 10.413 1.00 63.52 H new ATOM 0 HD13 ILE A 11 11.147 -8.646 9.163 1.00 63.52 H new ATOM 165 N GLU A 12 10.920 -3.126 11.114 1.00 31.51 N ATOM 166 CA GLU A 12 11.224 -2.182 12.182 1.00 14.44 C ATOM 167 C GLU A 12 10.074 -2.104 13.183 1.00 40.20 C ATOM 168 O GLU A 12 10.293 -1.981 14.388 1.00 24.52 O ATOM 169 CB GLU A 12 11.504 -0.794 11.602 1.00 54.12 C ATOM 170 CG GLU A 12 12.759 -0.143 12.158 1.00 31.33 C ATOM 171 CD GLU A 12 13.054 1.199 11.517 1.00 61.55 C ATOM 172 OE1 GLU A 12 12.488 1.479 10.439 1.00 23.13 O ATOM 173 OE2 GLU A 12 13.851 1.968 12.093 1.00 43.35 O ATOM 0 H GLU A 12 10.904 -2.716 10.180 1.00 31.51 H new ATOM 0 HA GLU A 12 12.113 -2.537 12.703 1.00 14.44 H new ATOM 0 HB2 GLU A 12 11.596 -0.874 10.519 1.00 54.12 H new ATOM 0 HB3 GLU A 12 10.650 -0.147 11.802 1.00 54.12 H new ATOM 0 HG2 GLU A 12 12.649 -0.011 13.234 1.00 31.33 H new ATOM 0 HG3 GLU A 12 13.608 -0.809 12.004 1.00 31.33 H new ATOM 180 N ARG A 13 8.848 -2.175 12.674 1.00 44.01 N ATOM 181 CA ARG A 13 7.664 -2.111 13.522 1.00 41.23 C ATOM 182 C ARG A 13 7.586 -3.328 14.439 1.00 54.30 C ATOM 183 O ARG A 13 7.035 -3.255 15.537 1.00 11.01 O ATOM 184 CB ARG A 13 6.401 -2.023 12.664 1.00 73.34 C ATOM 185 CG ARG A 13 5.368 -1.044 13.198 1.00 43.03 C ATOM 186 CD ARG A 13 5.316 0.223 12.359 1.00 5.40 C ATOM 187 NE ARG A 13 3.995 0.845 12.387 1.00 21.22 N ATOM 188 CZ ARG A 13 3.647 1.868 11.615 1.00 65.14 C ATOM 189 NH1 ARG A 13 4.519 2.382 10.758 1.00 71.24 N ATOM 190 NH2 ARG A 13 2.426 2.379 11.698 1.00 33.11 N ATOM 0 H ARG A 13 8.649 -2.277 11.679 1.00 44.01 H new ATOM 0 HA ARG A 13 7.738 -1.216 14.140 1.00 41.23 H new ATOM 0 HB2 ARG A 13 6.679 -1.728 11.652 1.00 73.34 H new ATOM 0 HB3 ARG A 13 5.949 -3.013 12.595 1.00 73.34 H new ATOM 0 HG2 ARG A 13 4.386 -1.517 13.206 1.00 43.03 H new ATOM 0 HG3 ARG A 13 5.607 -0.789 14.230 1.00 43.03 H new ATOM 0 HD2 ARG A 13 6.058 0.932 12.727 1.00 5.40 H new ATOM 0 HD3 ARG A 13 5.584 -0.013 11.329 1.00 5.40 H new ATOM 0 HE ARG A 13 3.301 0.473 13.036 1.00 21.22 H new ATOM 0 HH11 ARG A 13 5.459 1.992 10.691 1.00 71.24 H new ATOM 0 HH12 ARG A 13 4.250 3.168 10.166 1.00 71.24 H new ATOM 0 HH21 ARG A 13 1.752 1.986 12.356 1.00 33.11 H new ATOM 0 HH22 ARG A 13 2.161 3.165 11.104 1.00 33.11 H new ATOM 204 N ALA A 14 8.140 -4.445 13.980 1.00 74.01 N ATOM 205 CA ALA A 14 8.134 -5.677 14.759 1.00 13.23 C ATOM 206 C ALA A 14 9.011 -5.546 16.000 1.00 52.22 C ATOM 207 O ALA A 14 8.578 -5.849 17.112 1.00 0.31 O ATOM 208 CB ALA A 14 8.598 -6.845 13.903 1.00 64.41 C ATOM 0 H ALA A 14 8.599 -4.522 13.072 1.00 74.01 H new ATOM 0 HA ALA A 14 7.112 -5.865 15.087 1.00 13.23 H new ATOM 0 HB1 ALA A 14 8.588 -7.758 14.498 1.00 64.41 H new ATOM 0 HB2 ALA A 14 7.928 -6.960 13.051 1.00 64.41 H new ATOM 0 HB3 ALA A 14 9.610 -6.655 13.546 1.00 64.41 H new ATOM 214 N ILE A 15 10.244 -5.094 15.801 1.00 4.23 N ATOM 215 CA ILE A 15 11.182 -4.923 16.905 1.00 55.24 C ATOM 216 C ILE A 15 10.782 -3.745 17.787 1.00 25.23 C ATOM 217 O ILE A 15 10.987 -3.770 19.001 1.00 53.24 O ATOM 218 CB ILE A 15 12.618 -4.704 16.394 1.00 0.23 C ATOM 219 CG1 ILE A 15 13.598 -4.658 17.568 1.00 22.14 C ATOM 220 CG2 ILE A 15 12.701 -3.423 15.578 1.00 14.41 C ATOM 221 CD1 ILE A 15 14.641 -5.753 17.528 1.00 71.11 C ATOM 0 H ILE A 15 10.617 -4.840 14.887 1.00 4.23 H new ATOM 0 HA ILE A 15 11.151 -5.841 17.492 1.00 55.24 H new ATOM 0 HB ILE A 15 12.890 -5.540 15.750 1.00 0.23 H new ATOM 0 HG12 ILE A 15 14.099 -3.690 17.575 1.00 22.14 H new ATOM 0 HG13 ILE A 15 13.039 -4.734 18.501 1.00 22.14 H new ATOM 0 HG21 ILE A 15 13.722 -3.283 15.224 1.00 14.41 H new ATOM 0 HG22 ILE A 15 12.027 -3.491 14.724 1.00 14.41 H new ATOM 0 HG23 ILE A 15 12.413 -2.576 16.200 1.00 14.41 H new ATOM 0 HD11 ILE A 15 15.301 -5.658 18.390 1.00 71.11 H new ATOM 0 HD12 ILE A 15 14.149 -6.725 17.553 1.00 71.11 H new ATOM 0 HD13 ILE A 15 15.226 -5.665 16.612 1.00 71.11 H new ATOM 233 N GLN A 16 10.211 -2.716 17.169 1.00 21.54 N ATOM 234 CA GLN A 16 9.782 -1.530 17.900 1.00 41.42 C ATOM 235 C GLN A 16 8.708 -1.880 18.925 1.00 41.35 C ATOM 236 O GLN A 16 8.511 -1.159 19.903 1.00 63.24 O ATOM 237 CB GLN A 16 9.253 -0.472 16.930 1.00 0.40 C ATOM 238 CG GLN A 16 10.333 0.452 16.389 1.00 34.11 C ATOM 239 CD GLN A 16 10.092 1.905 16.749 1.00 20.34 C ATOM 240 OE1 GLN A 16 9.826 2.234 17.906 1.00 63.32 O ATOM 241 NE2 GLN A 16 10.184 2.784 15.758 1.00 23.24 N ATOM 0 H GLN A 16 10.035 -2.680 16.165 1.00 21.54 H new ATOM 0 HA GLN A 16 10.646 -1.128 18.430 1.00 41.42 H new ATOM 0 HB2 GLN A 16 8.761 -0.970 16.095 1.00 0.40 H new ATOM 0 HB3 GLN A 16 8.495 0.126 17.436 1.00 0.40 H new ATOM 0 HG2 GLN A 16 11.302 0.141 16.780 1.00 34.11 H new ATOM 0 HG3 GLN A 16 10.380 0.353 15.305 1.00 34.11 H new ATOM 0 HE21 GLN A 16 10.407 2.467 14.814 1.00 23.24 H new ATOM 0 HE22 GLN A 16 10.032 3.776 15.940 1.00 23.24 H new ATOM 250 N ALA A 17 8.016 -2.990 18.693 1.00 73.22 N ATOM 251 CA ALA A 17 6.963 -3.436 19.597 1.00 72.54 C ATOM 252 C ALA A 17 7.449 -3.451 21.042 1.00 65.23 C ATOM 253 O ALA A 17 6.810 -2.884 21.927 1.00 73.51 O ATOM 254 CB ALA A 17 6.468 -4.817 19.190 1.00 3.31 C ATOM 0 H ALA A 17 8.165 -3.597 17.887 1.00 73.22 H new ATOM 0 HA ALA A 17 6.136 -2.730 19.527 1.00 72.54 H new ATOM 0 HB1 ALA A 17 5.682 -5.138 19.874 1.00 3.31 H new ATOM 0 HB2 ALA A 17 6.072 -4.777 18.175 1.00 3.31 H new ATOM 0 HB3 ALA A 17 7.295 -5.526 19.230 1.00 3.31 H new ATOM 260 N GLU A 18 8.585 -4.104 21.272 1.00 15.45 N ATOM 261 CA GLU A 18 9.155 -4.193 22.612 1.00 51.35 C ATOM 262 C GLU A 18 8.220 -4.947 23.552 1.00 31.41 C ATOM 263 O GLU A 18 7.165 -4.442 23.933 1.00 40.11 O ATOM 264 CB GLU A 18 9.433 -2.794 23.166 1.00 42.25 C ATOM 265 CG GLU A 18 10.308 -1.943 22.260 1.00 70.42 C ATOM 266 CD GLU A 18 9.891 -0.485 22.247 1.00 21.53 C ATOM 267 OE1 GLU A 18 8.674 -0.217 22.320 1.00 14.34 O ATOM 268 OE2 GLU A 18 10.781 0.386 22.164 1.00 3.13 O ATOM 0 H GLU A 18 9.127 -4.578 20.550 1.00 15.45 H new ATOM 0 HA GLU A 18 10.094 -4.742 22.544 1.00 51.35 H new ATOM 0 HB2 GLU A 18 8.485 -2.281 23.327 1.00 42.25 H new ATOM 0 HB3 GLU A 18 9.915 -2.887 24.139 1.00 42.25 H new ATOM 0 HG2 GLU A 18 11.345 -2.017 22.588 1.00 70.42 H new ATOM 0 HG3 GLU A 18 10.266 -2.338 21.245 1.00 70.42 H new ATOM 275 N ASN A 19 8.616 -6.161 23.922 1.00 74.20 N ATOM 276 CA ASN A 19 7.813 -6.987 24.817 1.00 40.01 C ATOM 277 C ASN A 19 6.402 -7.171 24.268 1.00 55.01 C ATOM 278 O ASN A 19 5.495 -6.405 24.592 1.00 34.33 O ATOM 279 CB ASN A 19 7.752 -6.356 26.210 1.00 64.24 C ATOM 280 CG ASN A 19 9.012 -5.583 26.549 1.00 11.23 C ATOM 281 OD1 ASN A 19 8.968 -4.374 26.779 1.00 64.10 O ATOM 282 ND2 ASN A 19 10.142 -6.279 26.582 1.00 5.42 N ATOM 0 H ASN A 19 9.487 -6.594 23.616 1.00 74.20 H new ATOM 0 HA ASN A 19 8.286 -7.966 24.889 1.00 40.01 H new ATOM 0 HB2 ASN A 19 6.893 -5.688 26.266 1.00 64.24 H new ATOM 0 HB3 ASN A 19 7.597 -7.138 26.954 1.00 64.24 H new ATOM 0 HD21 ASN A 19 11.022 -5.813 26.805 1.00 5.42 H new ATOM 0 HD22 ASN A 19 10.131 -7.280 26.385 1.00 5.42 H new ATOM 289 N GLU A 20 6.225 -8.192 23.435 1.00 33.12 N ATOM 290 CA GLU A 20 4.924 -8.476 22.841 1.00 34.13 C ATOM 291 C GLU A 20 4.876 -9.898 22.290 1.00 32.20 C ATOM 292 O GLU A 20 5.838 -10.655 22.411 1.00 31.35 O ATOM 293 CB GLU A 20 4.618 -7.474 21.726 1.00 72.42 C ATOM 294 CG GLU A 20 3.883 -6.234 22.206 1.00 4.11 C ATOM 295 CD GLU A 20 3.165 -5.510 21.084 1.00 42.02 C ATOM 296 OE1 GLU A 20 2.558 -6.192 20.232 1.00 62.14 O ATOM 297 OE2 GLU A 20 3.210 -4.262 21.057 1.00 22.53 O ATOM 0 H GLU A 20 6.966 -8.836 23.157 1.00 33.12 H new ATOM 0 HA GLU A 20 4.169 -8.382 23.621 1.00 34.13 H new ATOM 0 HB2 GLU A 20 5.553 -7.172 21.254 1.00 72.42 H new ATOM 0 HB3 GLU A 20 4.019 -7.967 20.960 1.00 72.42 H new ATOM 0 HG2 GLU A 20 3.160 -6.518 22.971 1.00 4.11 H new ATOM 0 HG3 GLU A 20 4.594 -5.554 22.676 1.00 4.11 H new ATOM 304 N GLY A 21 3.747 -10.254 21.684 1.00 63.24 N ATOM 305 CA GLY A 21 3.594 -11.584 21.123 1.00 32.03 C ATOM 306 C GLY A 21 2.930 -11.566 19.761 1.00 71.03 C ATOM 307 O GLY A 21 2.604 -12.617 19.208 1.00 51.52 O ATOM 0 H GLY A 21 2.936 -9.645 21.572 1.00 63.24 H new ATOM 0 HA2 GLY A 21 4.574 -12.055 21.040 1.00 32.03 H new ATOM 0 HA3 GLY A 21 3.003 -12.196 21.804 1.00 32.03 H new ATOM 311 N ARG A 22 2.727 -10.370 19.219 1.00 44.44 N ATOM 312 CA ARG A 22 2.095 -10.219 17.914 1.00 61.24 C ATOM 313 C ARG A 22 3.103 -10.449 16.791 1.00 1.24 C ATOM 314 O ARG A 22 2.727 -10.738 15.655 1.00 23.32 O ATOM 315 CB ARG A 22 1.476 -8.827 17.781 1.00 50.34 C ATOM 316 CG ARG A 22 -0.037 -8.816 17.928 1.00 23.05 C ATOM 317 CD ARG A 22 -0.458 -9.100 19.362 1.00 54.33 C ATOM 318 NE ARG A 22 -1.510 -8.192 19.813 1.00 42.02 N ATOM 319 CZ ARG A 22 -2.763 -8.244 19.376 1.00 72.20 C ATOM 320 NH1 ARG A 22 -3.120 -9.156 18.482 1.00 64.11 N ATOM 321 NH2 ARG A 22 -3.663 -7.384 19.834 1.00 11.51 N ATOM 0 H ARG A 22 2.991 -9.491 19.664 1.00 44.44 H new ATOM 0 HA ARG A 22 1.308 -10.968 17.831 1.00 61.24 H new ATOM 0 HB2 ARG A 22 1.911 -8.172 18.536 1.00 50.34 H new ATOM 0 HB3 ARG A 22 1.741 -8.412 16.808 1.00 50.34 H new ATOM 0 HG2 ARG A 22 -0.427 -7.847 17.618 1.00 23.05 H new ATOM 0 HG3 ARG A 22 -0.474 -9.562 17.264 1.00 23.05 H new ATOM 0 HD2 ARG A 22 -0.809 -10.129 19.440 1.00 54.33 H new ATOM 0 HD3 ARG A 22 0.407 -9.008 20.019 1.00 54.33 H new ATOM 0 HE ARG A 22 -1.269 -7.479 20.501 1.00 42.02 H new ATOM 0 HH11 ARG A 22 -2.431 -9.820 18.128 1.00 64.11 H new ATOM 0 HH12 ARG A 22 -4.083 -9.193 18.148 1.00 64.11 H new ATOM 0 HH21 ARG A 22 -3.393 -6.682 20.523 1.00 11.51 H new ATOM 0 HH22 ARG A 22 -4.625 -7.425 19.498 1.00 11.51 H new ATOM 335 N TYR A 23 4.384 -10.317 17.118 1.00 50.12 N ATOM 336 CA TYR A 23 5.446 -10.507 16.137 1.00 1.10 C ATOM 337 C TYR A 23 5.238 -11.798 15.351 1.00 13.04 C ATOM 338 O TYR A 23 5.623 -11.898 14.186 1.00 14.23 O ATOM 339 CB TYR A 23 6.810 -10.533 16.830 1.00 53.45 C ATOM 340 CG TYR A 23 7.072 -11.805 17.603 1.00 63.24 C ATOM 341 CD1 TYR A 23 6.429 -12.053 18.809 1.00 25.24 C ATOM 342 CD2 TYR A 23 7.964 -12.759 17.127 1.00 34.13 C ATOM 343 CE1 TYR A 23 6.667 -13.214 19.520 1.00 73.13 C ATOM 344 CE2 TYR A 23 8.206 -13.923 17.830 1.00 32.40 C ATOM 345 CZ TYR A 23 7.555 -14.146 19.026 1.00 62.33 C ATOM 346 OH TYR A 23 7.795 -15.304 19.729 1.00 32.34 O ATOM 0 H TYR A 23 4.712 -10.079 18.054 1.00 50.12 H new ATOM 0 HA TYR A 23 5.415 -9.670 15.440 1.00 1.10 H new ATOM 0 HB2 TYR A 23 7.591 -10.406 16.081 1.00 53.45 H new ATOM 0 HB3 TYR A 23 6.879 -9.684 17.510 1.00 53.45 H new ATOM 0 HD1 TYR A 23 5.731 -11.326 19.198 1.00 25.24 H new ATOM 0 HD2 TYR A 23 8.476 -12.587 16.192 1.00 34.13 H new ATOM 0 HE1 TYR A 23 6.160 -13.390 20.457 1.00 73.13 H new ATOM 0 HE2 TYR A 23 8.901 -14.655 17.446 1.00 32.40 H new ATOM 0 HH TYR A 23 8.457 -15.846 19.251 1.00 32.34 H new ATOM 356 N ARG A 24 4.625 -12.784 15.998 1.00 31.12 N ATOM 357 CA ARG A 24 4.365 -14.070 15.362 1.00 50.32 C ATOM 358 C ARG A 24 3.446 -13.903 14.155 1.00 35.15 C ATOM 359 O ARG A 24 3.698 -14.463 13.089 1.00 1.22 O ATOM 360 CB ARG A 24 3.739 -15.041 16.364 1.00 75.44 C ATOM 361 CG ARG A 24 2.498 -14.493 17.050 1.00 3.11 C ATOM 362 CD ARG A 24 1.226 -15.057 16.437 1.00 65.41 C ATOM 363 NE ARG A 24 0.053 -14.258 16.777 1.00 11.52 N ATOM 364 CZ ARG A 24 -1.194 -14.708 16.691 1.00 43.01 C ATOM 365 NH1 ARG A 24 -1.428 -15.946 16.278 1.00 43.00 N ATOM 366 NH2 ARG A 24 -2.210 -13.920 17.019 1.00 45.44 N ATOM 0 H ARG A 24 4.299 -12.717 16.962 1.00 31.12 H new ATOM 0 HA ARG A 24 5.316 -14.477 15.019 1.00 50.32 H new ATOM 0 HB2 ARG A 24 3.480 -15.965 15.848 1.00 75.44 H new ATOM 0 HB3 ARG A 24 4.480 -15.296 17.122 1.00 75.44 H new ATOM 0 HG2 ARG A 24 2.530 -14.737 18.112 1.00 3.11 H new ATOM 0 HG3 ARG A 24 2.489 -13.406 16.973 1.00 3.11 H new ATOM 0 HD2 ARG A 24 1.334 -15.099 15.353 1.00 65.41 H new ATOM 0 HD3 ARG A 24 1.080 -16.080 16.783 1.00 65.41 H new ATOM 0 HE ARG A 24 0.199 -13.301 17.098 1.00 11.52 H new ATOM 0 HH11 ARG A 24 -0.650 -16.555 16.026 1.00 43.00 H new ATOM 0 HH12 ARG A 24 -2.386 -16.289 16.213 1.00 43.00 H new ATOM 0 HH21 ARG A 24 -2.034 -12.967 17.338 1.00 45.44 H new ATOM 0 HH22 ARG A 24 -3.167 -14.267 16.952 1.00 45.44 H new ATOM 380 N GLU A 25 2.378 -13.130 14.333 1.00 25.33 N ATOM 381 CA GLU A 25 1.421 -12.892 13.259 1.00 3.13 C ATOM 382 C GLU A 25 1.974 -11.889 12.250 1.00 22.44 C ATOM 383 O GLU A 25 1.598 -11.901 11.079 1.00 45.34 O ATOM 384 CB GLU A 25 0.097 -12.380 13.830 1.00 4.25 C ATOM 385 CG GLU A 25 0.035 -10.867 13.959 1.00 33.25 C ATOM 386 CD GLU A 25 -0.456 -10.194 12.693 1.00 54.52 C ATOM 387 OE1 GLU A 25 -1.532 -10.584 12.193 1.00 54.11 O ATOM 388 OE2 GLU A 25 0.235 -9.277 12.201 1.00 14.04 O ATOM 0 H GLU A 25 2.155 -12.659 15.210 1.00 25.33 H new ATOM 0 HA GLU A 25 1.246 -13.838 12.747 1.00 3.13 H new ATOM 0 HB2 GLU A 25 -0.719 -12.716 13.190 1.00 4.25 H new ATOM 0 HB3 GLU A 25 -0.063 -12.827 14.811 1.00 4.25 H new ATOM 0 HG2 GLU A 25 -0.625 -10.603 14.786 1.00 33.25 H new ATOM 0 HG3 GLU A 25 1.026 -10.486 14.208 1.00 33.25 H new ATOM 395 N ALA A 26 2.869 -11.023 12.715 1.00 34.22 N ATOM 396 CA ALA A 26 3.475 -10.015 11.854 1.00 14.04 C ATOM 397 C ALA A 26 4.520 -10.635 10.934 1.00 25.53 C ATOM 398 O ALA A 26 4.602 -10.297 9.753 1.00 45.41 O ATOM 399 CB ALA A 26 4.097 -8.909 12.694 1.00 72.11 C ATOM 0 H ALA A 26 3.190 -11.000 13.683 1.00 34.22 H new ATOM 0 HA ALA A 26 2.691 -9.586 11.231 1.00 14.04 H new ATOM 0 HB1 ALA A 26 4.546 -8.163 12.038 1.00 72.11 H new ATOM 0 HB2 ALA A 26 3.326 -8.439 13.305 1.00 72.11 H new ATOM 0 HB3 ALA A 26 4.865 -9.332 13.342 1.00 72.11 H new ATOM 405 N LEU A 27 5.319 -11.545 11.482 1.00 12.25 N ATOM 406 CA LEU A 27 6.361 -12.213 10.711 1.00 50.24 C ATOM 407 C LEU A 27 5.767 -12.943 9.510 1.00 15.15 C ATOM 408 O LEU A 27 6.424 -13.110 8.483 1.00 25.44 O ATOM 409 CB LEU A 27 7.125 -13.200 11.595 1.00 11.32 C ATOM 410 CG LEU A 27 8.248 -12.607 12.448 1.00 55.04 C ATOM 411 CD1 LEU A 27 8.886 -13.683 13.312 1.00 1.22 C ATOM 412 CD2 LEU A 27 9.292 -11.940 11.565 1.00 62.03 C ATOM 0 H LEU A 27 5.265 -11.837 12.458 1.00 12.25 H new ATOM 0 HA LEU A 27 7.051 -11.453 10.346 1.00 50.24 H new ATOM 0 HB2 LEU A 27 6.412 -13.690 12.258 1.00 11.32 H new ATOM 0 HB3 LEU A 27 7.551 -13.974 10.957 1.00 11.32 H new ATOM 0 HG LEU A 27 7.819 -11.850 13.105 1.00 55.04 H new ATOM 0 HD11 LEU A 27 9.683 -13.243 13.912 1.00 1.22 H new ATOM 0 HD12 LEU A 27 8.132 -14.115 13.970 1.00 1.22 H new ATOM 0 HD13 LEU A 27 9.301 -14.463 12.674 1.00 1.22 H new ATOM 0 HD21 LEU A 27 10.083 -11.524 12.188 1.00 62.03 H new ATOM 0 HD22 LEU A 27 9.717 -12.677 10.884 1.00 62.03 H new ATOM 0 HD23 LEU A 27 8.825 -11.141 10.990 1.00 62.03 H new ATOM 424 N LYS A 28 4.517 -13.374 9.646 1.00 1.13 N ATOM 425 CA LYS A 28 3.831 -14.083 8.573 1.00 71.02 C ATOM 426 C LYS A 28 3.915 -13.303 7.265 1.00 64.24 C ATOM 427 O LYS A 28 4.207 -13.869 6.211 1.00 61.35 O ATOM 428 CB LYS A 28 2.365 -14.319 8.945 1.00 42.43 C ATOM 429 CG LYS A 28 1.865 -15.710 8.596 1.00 43.21 C ATOM 430 CD LYS A 28 0.350 -15.792 8.669 1.00 72.21 C ATOM 431 CE LYS A 28 -0.305 -15.052 7.513 1.00 51.21 C ATOM 432 NZ LYS A 28 -1.791 -15.118 7.583 1.00 51.43 N ATOM 0 H LYS A 28 3.959 -13.244 10.490 1.00 1.13 H new ATOM 0 HA LYS A 28 4.324 -15.045 8.434 1.00 71.02 H new ATOM 0 HB2 LYS A 28 2.240 -14.155 10.015 1.00 42.43 H new ATOM 0 HB3 LYS A 28 1.746 -13.581 8.435 1.00 42.43 H new ATOM 0 HG2 LYS A 28 2.197 -15.976 7.592 1.00 43.21 H new ATOM 0 HG3 LYS A 28 2.303 -16.437 9.280 1.00 43.21 H new ATOM 0 HD2 LYS A 28 0.040 -16.837 8.656 1.00 72.21 H new ATOM 0 HD3 LYS A 28 0.007 -15.370 9.614 1.00 72.21 H new ATOM 0 HE2 LYS A 28 0.013 -14.009 7.522 1.00 51.21 H new ATOM 0 HE3 LYS A 28 0.033 -15.480 6.569 1.00 51.21 H new ATOM 0 HZ1 LYS A 28 -2.200 -14.602 6.778 1.00 51.43 H new ATOM 0 HZ2 LYS A 28 -2.096 -16.112 7.548 1.00 51.43 H new ATOM 0 HZ3 LYS A 28 -2.116 -14.687 8.472 1.00 51.43 H new ATOM 446 N HIS A 29 3.660 -12.001 7.340 1.00 50.14 N ATOM 447 CA HIS A 29 3.709 -11.143 6.161 1.00 4.10 C ATOM 448 C HIS A 29 5.104 -11.150 5.542 1.00 1.44 C ATOM 449 O HIS A 29 5.261 -10.955 4.337 1.00 55.42 O ATOM 450 CB HIS A 29 3.308 -9.714 6.527 1.00 1.23 C ATOM 451 CG HIS A 29 3.096 -8.828 5.338 1.00 14.04 C ATOM 452 ND1 HIS A 29 3.680 -7.585 5.212 1.00 73.43 N ATOM 453 CD2 HIS A 29 2.359 -9.012 4.218 1.00 41.13 C ATOM 454 CE1 HIS A 29 3.310 -7.042 4.065 1.00 23.54 C ATOM 455 NE2 HIS A 29 2.509 -7.888 3.443 1.00 61.11 N ATOM 0 H HIS A 29 3.417 -11.517 8.204 1.00 50.14 H new ATOM 0 HA HIS A 29 3.003 -11.534 5.428 1.00 4.10 H new ATOM 0 HB2 HIS A 29 2.392 -9.742 7.117 1.00 1.23 H new ATOM 0 HB3 HIS A 29 4.081 -9.279 7.160 1.00 1.23 H new ATOM 0 HD2 HIS A 29 1.764 -9.881 3.978 1.00 41.13 H new ATOM 0 HE1 HIS A 29 3.611 -6.072 3.699 1.00 23.54 H new ATOM 0 HE2 HIS A 29 2.073 -7.732 2.534 1.00 61.11 H new ATOM 463 N PHE A 30 6.115 -11.374 6.376 1.00 73.44 N ATOM 464 CA PHE A 30 7.497 -11.405 5.911 1.00 55.43 C ATOM 465 C PHE A 30 7.811 -12.731 5.225 1.00 52.11 C ATOM 466 O PHE A 30 8.493 -12.767 4.200 1.00 4.22 O ATOM 467 CB PHE A 30 8.456 -11.183 7.082 1.00 32.30 C ATOM 468 CG PHE A 30 9.835 -10.767 6.657 1.00 52.41 C ATOM 469 CD1 PHE A 30 10.767 -11.712 6.261 1.00 43.22 C ATOM 470 CD2 PHE A 30 10.199 -9.430 6.654 1.00 51.31 C ATOM 471 CE1 PHE A 30 12.037 -11.332 5.869 1.00 41.24 C ATOM 472 CE2 PHE A 30 11.467 -9.044 6.262 1.00 11.34 C ATOM 473 CZ PHE A 30 12.387 -9.996 5.871 1.00 45.15 C ATOM 0 H PHE A 30 6.003 -11.537 7.377 1.00 73.44 H new ATOM 0 HA PHE A 30 7.628 -10.602 5.186 1.00 55.43 H new ATOM 0 HB2 PHE A 30 8.042 -10.420 7.741 1.00 32.30 H new ATOM 0 HB3 PHE A 30 8.526 -12.102 7.664 1.00 32.30 H new ATOM 0 HD1 PHE A 30 10.498 -12.758 6.258 1.00 43.22 H new ATOM 0 HD2 PHE A 30 9.484 -8.681 6.961 1.00 51.31 H new ATOM 0 HE1 PHE A 30 12.754 -12.079 5.562 1.00 41.24 H new ATOM 0 HE2 PHE A 30 11.738 -7.998 6.262 1.00 11.34 H new ATOM 0 HZ PHE A 30 13.379 -9.696 5.567 1.00 45.15 H new ATOM 483 N LEU A 31 7.309 -13.819 5.797 1.00 33.44 N ATOM 484 CA LEU A 31 7.535 -15.149 5.243 1.00 64.54 C ATOM 485 C LEU A 31 6.987 -15.248 3.823 1.00 42.14 C ATOM 486 O LEU A 31 7.509 -15.996 2.996 1.00 74.42 O ATOM 487 CB LEU A 31 6.882 -16.211 6.129 1.00 73.43 C ATOM 488 CG LEU A 31 7.799 -16.898 7.141 1.00 31.12 C ATOM 489 CD1 LEU A 31 8.849 -17.736 6.428 1.00 73.10 C ATOM 490 CD2 LEU A 31 8.460 -15.869 8.046 1.00 41.51 C ATOM 0 H LEU A 31 6.742 -13.807 6.645 1.00 33.44 H new ATOM 0 HA LEU A 31 8.610 -15.323 5.211 1.00 64.54 H new ATOM 0 HB2 LEU A 31 6.059 -15.746 6.672 1.00 73.43 H new ATOM 0 HB3 LEU A 31 6.448 -16.976 5.485 1.00 73.43 H new ATOM 0 HG LEU A 31 7.194 -17.561 7.759 1.00 31.12 H new ATOM 0 HD11 LEU A 31 9.492 -18.217 7.165 1.00 73.10 H new ATOM 0 HD12 LEU A 31 8.357 -18.498 5.823 1.00 73.10 H new ATOM 0 HD13 LEU A 31 9.451 -17.094 5.785 1.00 73.10 H new ATOM 0 HD21 LEU A 31 9.109 -16.376 8.760 1.00 41.51 H new ATOM 0 HD22 LEU A 31 9.052 -15.181 7.443 1.00 41.51 H new ATOM 0 HD23 LEU A 31 7.693 -15.312 8.585 1.00 41.51 H new ATOM 502 N ASP A 32 5.934 -14.486 3.546 1.00 25.34 N ATOM 503 CA ASP A 32 5.317 -14.485 2.225 1.00 3.02 C ATOM 504 C ASP A 32 6.216 -13.790 1.207 1.00 75.14 C ATOM 505 O ASP A 32 6.134 -14.057 0.008 1.00 4.33 O ATOM 506 CB ASP A 32 3.954 -13.794 2.276 1.00 32.05 C ATOM 507 CG ASP A 32 2.845 -14.658 1.708 1.00 21.25 C ATOM 508 OD1 ASP A 32 2.634 -14.618 0.479 1.00 74.54 O ATOM 509 OD2 ASP A 32 2.188 -15.374 2.494 1.00 4.40 O ATOM 0 H ASP A 32 5.490 -13.861 4.219 1.00 25.34 H new ATOM 0 HA ASP A 32 5.179 -15.521 1.914 1.00 3.02 H new ATOM 0 HB2 ASP A 32 3.718 -13.538 3.309 1.00 32.05 H new ATOM 0 HB3 ASP A 32 4.003 -12.858 1.719 1.00 32.05 H new ATOM 514 N GLY A 33 7.072 -12.896 1.692 1.00 33.13 N ATOM 515 CA GLY A 33 7.972 -12.176 0.811 1.00 52.22 C ATOM 516 C GLY A 33 9.142 -13.026 0.356 1.00 14.13 C ATOM 517 O GLY A 33 9.421 -13.122 -0.838 1.00 32.50 O ATOM 0 H GLY A 33 7.158 -12.658 2.680 1.00 33.13 H new ATOM 0 HA2 GLY A 33 7.419 -11.827 -0.061 1.00 52.22 H new ATOM 0 HA3 GLY A 33 8.348 -11.291 1.325 1.00 52.22 H new ATOM 521 N GLY A 34 9.829 -13.643 1.312 1.00 25.41 N ATOM 522 CA GLY A 34 10.969 -14.480 0.984 1.00 51.13 C ATOM 523 C GLY A 34 10.621 -15.569 -0.012 1.00 11.22 C ATOM 524 O GLY A 34 11.456 -15.966 -0.823 1.00 43.03 O ATOM 0 H GLY A 34 9.617 -13.579 2.308 1.00 25.41 H new ATOM 0 HA2 GLY A 34 11.766 -13.859 0.575 1.00 51.13 H new ATOM 0 HA3 GLY A 34 11.356 -14.936 1.896 1.00 51.13 H new ATOM 528 N GLU A 35 9.385 -16.054 0.052 1.00 53.54 N ATOM 529 CA GLU A 35 8.930 -17.105 -0.850 1.00 61.23 C ATOM 530 C GLU A 35 8.602 -16.536 -2.228 1.00 32.43 C ATOM 531 O GLU A 35 8.614 -17.255 -3.227 1.00 25.14 O ATOM 532 CB GLU A 35 7.701 -17.809 -0.271 1.00 0.22 C ATOM 533 CG GLU A 35 7.974 -18.531 1.038 1.00 52.10 C ATOM 534 CD GLU A 35 7.557 -19.988 0.998 1.00 64.53 C ATOM 535 OE1 GLU A 35 6.411 -20.268 0.589 1.00 11.45 O ATOM 536 OE2 GLU A 35 8.379 -20.850 1.375 1.00 63.13 O ATOM 0 H GLU A 35 8.681 -15.736 0.719 1.00 53.54 H new ATOM 0 HA GLU A 35 9.737 -17.829 -0.958 1.00 61.23 H new ATOM 0 HB2 GLU A 35 6.912 -17.074 -0.113 1.00 0.22 H new ATOM 0 HB3 GLU A 35 7.326 -18.527 -1.001 1.00 0.22 H new ATOM 0 HG2 GLU A 35 9.037 -18.467 1.269 1.00 52.10 H new ATOM 0 HG3 GLU A 35 7.442 -18.027 1.845 1.00 52.10 H new ATOM 543 N MET A 36 8.308 -15.241 -2.272 1.00 34.13 N ATOM 544 CA MET A 36 7.976 -14.575 -3.526 1.00 64.31 C ATOM 545 C MET A 36 9.223 -14.380 -4.384 1.00 12.15 C ATOM 546 O MET A 36 9.144 -14.353 -5.612 1.00 41.11 O ATOM 547 CB MET A 36 7.315 -13.223 -3.252 1.00 30.34 C ATOM 548 CG MET A 36 5.872 -13.336 -2.788 1.00 53.11 C ATOM 549 SD MET A 36 4.700 -12.706 -4.005 1.00 42.15 S ATOM 550 CE MET A 36 4.912 -10.940 -3.797 1.00 43.31 C ATOM 0 H MET A 36 8.293 -14.632 -1.454 1.00 34.13 H new ATOM 0 HA MET A 36 7.276 -15.209 -4.071 1.00 64.31 H new ATOM 0 HB2 MET A 36 7.891 -12.693 -2.494 1.00 30.34 H new ATOM 0 HB3 MET A 36 7.350 -12.620 -4.159 1.00 30.34 H new ATOM 0 HG2 MET A 36 5.643 -14.380 -2.576 1.00 53.11 H new ATOM 0 HG3 MET A 36 5.751 -12.787 -1.854 1.00 53.11 H new ATOM 0 HE1 MET A 36 4.252 -10.411 -4.484 1.00 43.31 H new ATOM 0 HE2 MET A 36 4.667 -10.662 -2.772 1.00 43.31 H new ATOM 0 HE3 MET A 36 5.947 -10.670 -4.008 1.00 43.31 H new ATOM 560 N ILE A 37 10.371 -14.244 -3.728 1.00 53.04 N ATOM 561 CA ILE A 37 11.633 -14.052 -4.432 1.00 10.14 C ATOM 562 C ILE A 37 12.183 -15.378 -4.946 1.00 0.02 C ATOM 563 O ILE A 37 12.926 -15.416 -5.927 1.00 1.24 O ATOM 564 CB ILE A 37 12.687 -13.389 -3.526 1.00 10.44 C ATOM 565 CG1 ILE A 37 13.459 -12.320 -4.302 1.00 64.54 C ATOM 566 CG2 ILE A 37 13.638 -14.435 -2.965 1.00 61.53 C ATOM 567 CD1 ILE A 37 14.119 -12.845 -5.559 1.00 35.33 C ATOM 0 H ILE A 37 10.453 -14.263 -2.711 1.00 53.04 H new ATOM 0 HA ILE A 37 11.426 -13.395 -5.277 1.00 10.14 H new ATOM 0 HB ILE A 37 12.176 -12.908 -2.692 1.00 10.44 H new ATOM 0 HG12 ILE A 37 12.777 -11.513 -4.569 1.00 64.54 H new ATOM 0 HG13 ILE A 37 14.222 -11.891 -3.653 1.00 64.54 H new ATOM 0 HG21 ILE A 37 14.377 -13.950 -2.327 1.00 61.53 H new ATOM 0 HG22 ILE A 37 13.075 -15.162 -2.380 1.00 61.53 H new ATOM 0 HG23 ILE A 37 14.145 -14.943 -3.785 1.00 61.53 H new ATOM 0 HD11 ILE A 37 14.648 -12.033 -6.058 1.00 35.33 H new ATOM 0 HD12 ILE A 37 14.826 -13.632 -5.297 1.00 35.33 H new ATOM 0 HD13 ILE A 37 13.359 -13.248 -6.228 1.00 35.33 H new ATOM 579 N VAL A 38 11.811 -16.465 -4.278 1.00 24.53 N ATOM 580 CA VAL A 38 12.265 -17.795 -4.668 1.00 51.05 C ATOM 581 C VAL A 38 11.692 -18.195 -6.023 1.00 54.03 C ATOM 582 O VAL A 38 12.373 -18.815 -6.841 1.00 3.44 O ATOM 583 CB VAL A 38 11.868 -18.853 -3.622 1.00 74.44 C ATOM 584 CG1 VAL A 38 12.306 -20.239 -4.071 1.00 43.04 C ATOM 585 CG2 VAL A 38 12.463 -18.510 -2.265 1.00 60.33 C ATOM 0 H VAL A 38 11.196 -16.451 -3.464 1.00 24.53 H new ATOM 0 HA VAL A 38 13.352 -17.752 -4.735 1.00 51.05 H new ATOM 0 HB VAL A 38 10.782 -18.855 -3.527 1.00 74.44 H new ATOM 0 HG11 VAL A 38 12.017 -20.973 -3.319 1.00 43.04 H new ATOM 0 HG12 VAL A 38 11.827 -20.483 -5.019 1.00 43.04 H new ATOM 0 HG13 VAL A 38 13.389 -20.256 -4.197 1.00 43.04 H new ATOM 0 HG21 VAL A 38 12.172 -19.268 -1.538 1.00 60.33 H new ATOM 0 HG22 VAL A 38 13.550 -18.479 -2.342 1.00 60.33 H new ATOM 0 HG23 VAL A 38 12.094 -17.537 -1.941 1.00 60.33 H new ATOM 595 N THR A 39 10.433 -17.836 -6.256 1.00 72.24 N ATOM 596 CA THR A 39 9.766 -18.158 -7.512 1.00 44.00 C ATOM 597 C THR A 39 10.607 -17.724 -8.707 1.00 52.24 C ATOM 598 O THR A 39 10.542 -18.330 -9.777 1.00 12.34 O ATOM 599 CB THR A 39 8.382 -17.488 -7.601 1.00 44.33 C ATOM 600 OG1 THR A 39 7.606 -18.103 -8.635 1.00 40.24 O ATOM 601 CG2 THR A 39 8.519 -15.999 -7.881 1.00 4.44 C ATOM 0 H THR A 39 9.855 -17.322 -5.591 1.00 72.24 H new ATOM 0 HA THR A 39 9.639 -19.240 -7.535 1.00 44.00 H new ATOM 0 HB THR A 39 7.878 -17.617 -6.643 1.00 44.33 H new ATOM 0 HG1 THR A 39 6.727 -17.673 -8.684 1.00 40.24 H new ATOM 0 HG21 THR A 39 7.529 -15.547 -7.940 1.00 4.44 H new ATOM 0 HG22 THR A 39 9.086 -15.528 -7.078 1.00 4.44 H new ATOM 0 HG23 THR A 39 9.041 -15.853 -8.827 1.00 4.44 H new ATOM 609 N ALA A 40 11.396 -16.671 -8.519 1.00 60.31 N ATOM 610 CA ALA A 40 12.252 -16.158 -9.582 1.00 34.03 C ATOM 611 C ALA A 40 13.434 -17.088 -9.832 1.00 11.00 C ATOM 612 O ALA A 40 13.853 -17.281 -10.973 1.00 21.23 O ATOM 613 CB ALA A 40 12.741 -14.760 -9.236 1.00 4.31 C ATOM 0 H ALA A 40 11.460 -16.157 -7.641 1.00 60.31 H new ATOM 0 HA ALA A 40 11.663 -16.109 -10.498 1.00 34.03 H new ATOM 0 HB1 ALA A 40 13.379 -14.389 -10.038 1.00 4.31 H new ATOM 0 HB2 ALA A 40 11.886 -14.095 -9.115 1.00 4.31 H new ATOM 0 HB3 ALA A 40 13.309 -14.793 -8.306 1.00 4.31 H new ATOM 619 N ALA A 41 13.968 -17.661 -8.758 1.00 52.12 N ATOM 620 CA ALA A 41 15.101 -18.572 -8.862 1.00 42.51 C ATOM 621 C ALA A 41 14.667 -19.928 -9.407 1.00 43.01 C ATOM 622 O ALA A 41 15.321 -20.492 -10.284 1.00 53.12 O ATOM 623 CB ALA A 41 15.772 -18.735 -7.507 1.00 25.45 C ATOM 0 H ALA A 41 13.634 -17.510 -7.806 1.00 52.12 H new ATOM 0 HA ALA A 41 15.819 -18.142 -9.561 1.00 42.51 H new ATOM 0 HB1 ALA A 41 16.617 -19.418 -7.599 1.00 25.45 H new ATOM 0 HB2 ALA A 41 16.126 -17.765 -7.157 1.00 25.45 H new ATOM 0 HB3 ALA A 41 15.055 -19.139 -6.792 1.00 25.45 H new ATOM 629 N GLU A 42 13.562 -20.446 -8.881 1.00 72.00 N ATOM 630 CA GLU A 42 13.043 -21.738 -9.315 1.00 52.30 C ATOM 631 C GLU A 42 12.769 -21.737 -10.816 1.00 73.42 C ATOM 632 O GLU A 42 13.282 -22.579 -11.553 1.00 64.32 O ATOM 633 CB GLU A 42 11.762 -22.080 -8.552 1.00 33.24 C ATOM 634 CG GLU A 42 12.004 -22.491 -7.109 1.00 62.11 C ATOM 635 CD GLU A 42 11.684 -23.952 -6.857 1.00 3.31 C ATOM 636 OE1 GLU A 42 10.634 -24.421 -7.343 1.00 51.11 O ATOM 637 OE2 GLU A 42 12.483 -24.625 -6.174 1.00 25.32 O ATOM 0 H GLU A 42 13.009 -19.991 -8.154 1.00 72.00 H new ATOM 0 HA GLU A 42 13.798 -22.495 -9.101 1.00 52.30 H new ATOM 0 HB2 GLU A 42 11.098 -21.216 -8.568 1.00 33.24 H new ATOM 0 HB3 GLU A 42 11.246 -22.889 -9.070 1.00 33.24 H new ATOM 0 HG2 GLU A 42 13.046 -22.301 -6.851 1.00 62.11 H new ATOM 0 HG3 GLU A 42 11.395 -21.871 -6.451 1.00 62.11 H new ATOM 644 N LYS A 43 11.955 -20.787 -11.263 1.00 14.13 N ATOM 645 CA LYS A 43 11.611 -20.674 -12.675 1.00 61.43 C ATOM 646 C LYS A 43 12.856 -20.424 -13.520 1.00 4.43 C ATOM 647 O LYS A 43 12.870 -20.701 -14.718 1.00 60.24 O ATOM 648 CB LYS A 43 10.602 -19.544 -12.887 1.00 52.24 C ATOM 649 CG LYS A 43 9.201 -20.032 -13.215 1.00 24.11 C ATOM 650 CD LYS A 43 8.147 -19.265 -12.435 1.00 53.44 C ATOM 651 CE LYS A 43 6.751 -19.807 -12.703 1.00 61.02 C ATOM 652 NZ LYS A 43 5.859 -18.773 -13.296 1.00 74.03 N ATOM 0 H LYS A 43 11.521 -20.083 -10.666 1.00 14.13 H new ATOM 0 HA LYS A 43 11.163 -21.616 -12.990 1.00 61.43 H new ATOM 0 HB2 LYS A 43 10.562 -18.930 -11.987 1.00 52.24 H new ATOM 0 HB3 LYS A 43 10.953 -18.902 -13.695 1.00 52.24 H new ATOM 0 HG2 LYS A 43 9.017 -19.921 -14.284 1.00 24.11 H new ATOM 0 HG3 LYS A 43 9.122 -21.095 -12.987 1.00 24.11 H new ATOM 0 HD2 LYS A 43 8.364 -19.328 -11.369 1.00 53.44 H new ATOM 0 HD3 LYS A 43 8.187 -18.210 -12.707 1.00 53.44 H new ATOM 0 HE2 LYS A 43 6.816 -20.661 -13.378 1.00 61.02 H new ATOM 0 HE3 LYS A 43 6.317 -20.170 -11.771 1.00 61.02 H new ATOM 0 HZ1 LYS A 43 4.917 -19.182 -13.464 1.00 74.03 H new ATOM 0 HZ2 LYS A 43 5.776 -17.969 -12.641 1.00 74.03 H new ATOM 0 HZ3 LYS A 43 6.260 -18.445 -14.198 1.00 74.03 H new ATOM 666 N GLU A 44 13.900 -19.898 -12.886 1.00 21.44 N ATOM 667 CA GLU A 44 15.150 -19.612 -13.580 1.00 52.51 C ATOM 668 C GLU A 44 16.099 -20.804 -13.507 1.00 71.34 C ATOM 669 O GLU A 44 15.764 -21.843 -12.939 1.00 64.32 O ATOM 670 CB GLU A 44 15.821 -18.375 -12.979 1.00 53.42 C ATOM 671 CG GLU A 44 15.256 -17.063 -13.499 1.00 64.11 C ATOM 672 CD GLU A 44 15.466 -16.888 -14.991 1.00 31.42 C ATOM 673 OE1 GLU A 44 16.399 -17.515 -15.535 1.00 43.44 O ATOM 674 OE2 GLU A 44 14.698 -16.126 -15.613 1.00 55.01 O ATOM 0 H GLU A 44 13.905 -19.662 -11.894 1.00 21.44 H new ATOM 0 HA GLU A 44 14.918 -19.419 -14.627 1.00 52.51 H new ATOM 0 HB2 GLU A 44 15.712 -18.404 -11.895 1.00 53.42 H new ATOM 0 HB3 GLU A 44 16.889 -18.411 -13.193 1.00 53.42 H new ATOM 0 HG2 GLU A 44 14.190 -17.018 -13.278 1.00 64.11 H new ATOM 0 HG3 GLU A 44 15.726 -16.234 -12.970 1.00 64.11 H new ATOM 681 N ALA A 45 17.284 -20.646 -14.088 1.00 20.14 N ATOM 682 CA ALA A 45 18.282 -21.708 -14.088 1.00 23.22 C ATOM 683 C ALA A 45 19.641 -21.184 -14.540 1.00 21.31 C ATOM 684 O ALA A 45 20.655 -21.412 -13.881 1.00 4.55 O ATOM 685 CB ALA A 45 17.833 -22.855 -14.981 1.00 53.10 C ATOM 0 H ALA A 45 17.576 -19.793 -14.565 1.00 20.14 H new ATOM 0 HA ALA A 45 18.385 -22.076 -13.067 1.00 23.22 H new ATOM 0 HB1 ALA A 45 18.588 -23.641 -14.971 1.00 53.10 H new ATOM 0 HB2 ALA A 45 16.888 -23.255 -14.612 1.00 53.10 H new ATOM 0 HB3 ALA A 45 17.700 -22.492 -16.000 1.00 53.10 H new ATOM 691 N SER A 46 19.654 -20.483 -15.669 1.00 10.32 N ATOM 692 CA SER A 46 20.890 -19.930 -16.212 1.00 34.44 C ATOM 693 C SER A 46 21.141 -18.526 -15.670 1.00 73.24 C ATOM 694 O SER A 46 21.431 -17.601 -16.428 1.00 53.11 O ATOM 695 CB SER A 46 20.830 -19.897 -17.740 1.00 21.11 C ATOM 696 OG SER A 46 20.078 -20.987 -18.245 1.00 3.01 O ATOM 0 H SER A 46 18.823 -20.284 -16.226 1.00 10.32 H new ATOM 0 HA SER A 46 21.714 -20.572 -15.902 1.00 34.44 H new ATOM 0 HB2 SER A 46 20.383 -18.959 -18.069 1.00 21.11 H new ATOM 0 HB3 SER A 46 21.840 -19.929 -18.147 1.00 21.11 H new ATOM 0 HG SER A 46 20.053 -20.942 -19.224 1.00 3.01 H new ATOM 702 N GLN A 47 21.027 -18.377 -14.355 1.00 14.24 N ATOM 703 CA GLN A 47 21.240 -17.086 -13.712 1.00 4.25 C ATOM 704 C GLN A 47 22.286 -17.195 -12.606 1.00 53.53 C ATOM 705 O GLN A 47 22.232 -18.099 -11.773 1.00 31.12 O ATOM 706 CB GLN A 47 19.926 -16.555 -13.136 1.00 41.03 C ATOM 707 CG GLN A 47 19.837 -15.037 -13.122 1.00 71.55 C ATOM 708 CD GLN A 47 19.150 -14.482 -14.355 1.00 1.05 C ATOM 709 OE1 GLN A 47 19.451 -14.881 -15.480 1.00 34.00 O ATOM 710 NE2 GLN A 47 18.221 -13.556 -14.148 1.00 4.41 N ATOM 0 H GLN A 47 20.788 -19.134 -13.714 1.00 14.24 H new ATOM 0 HA GLN A 47 21.605 -16.389 -14.466 1.00 4.25 H new ATOM 0 HB2 GLN A 47 19.096 -16.954 -13.719 1.00 41.03 H new ATOM 0 HB3 GLN A 47 19.808 -16.927 -12.118 1.00 41.03 H new ATOM 0 HG2 GLN A 47 19.294 -14.717 -12.233 1.00 71.55 H new ATOM 0 HG3 GLN A 47 20.841 -14.618 -13.050 1.00 71.55 H new ATOM 0 HE21 GLN A 47 18.004 -13.255 -13.198 1.00 4.41 H new ATOM 0 HE22 GLN A 47 17.725 -13.146 -14.939 1.00 4.41 H new ATOM 719 N LYS A 48 23.237 -16.267 -12.605 1.00 60.03 N ATOM 720 CA LYS A 48 24.295 -16.257 -11.602 1.00 44.04 C ATOM 721 C LYS A 48 23.791 -15.678 -10.284 1.00 74.44 C ATOM 722 O LYS A 48 24.271 -16.042 -9.211 1.00 2.32 O ATOM 723 CB LYS A 48 25.493 -15.445 -12.103 1.00 35.44 C ATOM 724 CG LYS A 48 26.077 -15.964 -13.405 1.00 42.31 C ATOM 725 CD LYS A 48 27.523 -16.399 -13.233 1.00 51.45 C ATOM 726 CE LYS A 48 28.232 -16.517 -14.574 1.00 3.13 C ATOM 727 NZ LYS A 48 29.713 -16.516 -14.419 1.00 44.33 N ATOM 0 H LYS A 48 23.297 -15.512 -13.288 1.00 60.03 H new ATOM 0 HA LYS A 48 24.607 -17.287 -11.430 1.00 44.04 H new ATOM 0 HB2 LYS A 48 25.187 -14.408 -12.240 1.00 35.44 H new ATOM 0 HB3 LYS A 48 26.270 -15.450 -11.338 1.00 35.44 H new ATOM 0 HG2 LYS A 48 25.483 -16.805 -13.762 1.00 42.31 H new ATOM 0 HG3 LYS A 48 26.018 -15.187 -14.167 1.00 42.31 H new ATOM 0 HD2 LYS A 48 28.048 -15.680 -12.604 1.00 51.45 H new ATOM 0 HD3 LYS A 48 27.557 -17.358 -12.717 1.00 51.45 H new ATOM 0 HE2 LYS A 48 27.919 -17.435 -15.071 1.00 3.13 H new ATOM 0 HE3 LYS A 48 27.933 -15.689 -15.217 1.00 3.13 H new ATOM 0 HZ1 LYS A 48 30.160 -16.598 -15.354 1.00 44.33 H new ATOM 0 HZ2 LYS A 48 30.014 -15.629 -13.968 1.00 44.33 H new ATOM 0 HZ3 LYS A 48 30.001 -17.321 -13.826 1.00 44.33 H new ATOM 741 N VAL A 49 22.818 -14.777 -10.373 1.00 53.10 N ATOM 742 CA VAL A 49 22.246 -14.150 -9.187 1.00 72.23 C ATOM 743 C VAL A 49 21.273 -15.090 -8.484 1.00 24.13 C ATOM 744 O VAL A 49 21.135 -15.055 -7.261 1.00 11.21 O ATOM 745 CB VAL A 49 21.513 -12.843 -9.542 1.00 2.53 C ATOM 746 CG1 VAL A 49 22.507 -11.771 -9.965 1.00 32.40 C ATOM 747 CG2 VAL A 49 20.484 -13.088 -10.634 1.00 72.34 C ATOM 0 H VAL A 49 22.409 -14.465 -11.254 1.00 53.10 H new ATOM 0 HA VAL A 49 23.076 -13.923 -8.517 1.00 72.23 H new ATOM 0 HB VAL A 49 20.989 -12.489 -8.654 1.00 2.53 H new ATOM 0 HG11 VAL A 49 21.971 -10.855 -10.212 1.00 32.40 H new ATOM 0 HG12 VAL A 49 23.201 -11.576 -9.148 1.00 32.40 H new ATOM 0 HG13 VAL A 49 23.062 -12.113 -10.839 1.00 32.40 H new ATOM 0 HG21 VAL A 49 19.976 -12.153 -10.872 1.00 72.34 H new ATOM 0 HG22 VAL A 49 20.983 -13.467 -11.526 1.00 72.34 H new ATOM 0 HG23 VAL A 49 19.754 -13.820 -10.288 1.00 72.34 H new ATOM 757 N ARG A 50 20.602 -15.931 -9.264 1.00 50.42 N ATOM 758 CA ARG A 50 19.641 -16.880 -8.716 1.00 63.30 C ATOM 759 C ARG A 50 20.192 -17.546 -7.458 1.00 60.03 C ATOM 760 O ARG A 50 19.498 -17.657 -6.449 1.00 22.34 O ATOM 761 CB ARG A 50 19.293 -17.944 -9.758 1.00 75.52 C ATOM 762 CG ARG A 50 18.465 -19.092 -9.203 1.00 63.52 C ATOM 763 CD ARG A 50 19.194 -20.420 -9.337 1.00 65.20 C ATOM 764 NE ARG A 50 19.866 -20.803 -8.098 1.00 32.31 N ATOM 765 CZ ARG A 50 20.383 -22.008 -7.884 1.00 72.13 C ATOM 766 NH1 ARG A 50 20.306 -22.942 -8.822 1.00 41.25 N ATOM 767 NH2 ARG A 50 20.978 -22.281 -6.730 1.00 44.24 N ATOM 0 H ARG A 50 20.706 -15.974 -10.278 1.00 50.42 H new ATOM 0 HA ARG A 50 18.737 -16.332 -8.450 1.00 63.30 H new ATOM 0 HB2 ARG A 50 18.746 -17.475 -10.576 1.00 75.52 H new ATOM 0 HB3 ARG A 50 20.216 -18.343 -10.180 1.00 75.52 H new ATOM 0 HG2 ARG A 50 18.238 -18.904 -8.153 1.00 63.52 H new ATOM 0 HG3 ARG A 50 17.513 -19.144 -9.731 1.00 63.52 H new ATOM 0 HD2 ARG A 50 18.483 -21.197 -9.619 1.00 65.20 H new ATOM 0 HD3 ARG A 50 19.927 -20.352 -10.141 1.00 65.20 H new ATOM 0 HE ARG A 50 19.943 -20.107 -7.356 1.00 32.31 H new ATOM 0 HH11 ARG A 50 19.849 -22.736 -9.710 1.00 41.25 H new ATOM 0 HH12 ARG A 50 20.704 -23.866 -8.655 1.00 41.25 H new ATOM 0 HH21 ARG A 50 21.039 -21.565 -6.006 1.00 44.24 H new ATOM 0 HH22 ARG A 50 21.374 -23.207 -6.567 1.00 44.24 H new ATOM 781 N ASN A 51 21.444 -17.987 -7.528 1.00 72.33 N ATOM 782 CA ASN A 51 22.087 -18.643 -6.396 1.00 24.22 C ATOM 783 C ASN A 51 21.977 -17.788 -5.137 1.00 74.11 C ATOM 784 O ASN A 51 21.597 -18.277 -4.072 1.00 70.33 O ATOM 785 CB ASN A 51 23.559 -18.921 -6.709 1.00 40.35 C ATOM 786 CG ASN A 51 24.243 -19.716 -5.615 1.00 24.33 C ATOM 787 OD1 ASN A 51 23.850 -20.843 -5.313 1.00 24.21 O ATOM 788 ND2 ASN A 51 25.273 -19.131 -5.014 1.00 62.31 N ATOM 0 H ASN A 51 22.033 -17.902 -8.356 1.00 72.33 H new ATOM 0 HA ASN A 51 21.575 -19.589 -6.218 1.00 24.22 H new ATOM 0 HB2 ASN A 51 23.631 -19.467 -7.650 1.00 40.35 H new ATOM 0 HB3 ASN A 51 24.083 -17.975 -6.849 1.00 40.35 H new ATOM 0 HD21 ASN A 51 25.773 -19.617 -4.270 1.00 62.31 H new ATOM 0 HD22 ASN A 51 25.564 -18.195 -5.297 1.00 62.31 H new ATOM 795 N LEU A 52 22.310 -16.509 -5.267 1.00 12.34 N ATOM 796 CA LEU A 52 22.247 -15.584 -4.140 1.00 63.01 C ATOM 797 C LEU A 52 20.802 -15.225 -3.810 1.00 21.13 C ATOM 798 O LEU A 52 20.469 -14.940 -2.658 1.00 63.54 O ATOM 799 CB LEU A 52 23.041 -14.314 -4.452 1.00 64.43 C ATOM 800 CG LEU A 52 23.442 -13.460 -3.249 1.00 34.11 C ATOM 801 CD1 LEU A 52 24.471 -14.186 -2.397 1.00 64.35 C ATOM 802 CD2 LEU A 52 23.980 -12.113 -3.707 1.00 2.40 C ATOM 0 H LEU A 52 22.626 -16.088 -6.141 1.00 12.34 H new ATOM 0 HA LEU A 52 22.687 -16.077 -3.273 1.00 63.01 H new ATOM 0 HB2 LEU A 52 23.946 -14.598 -4.988 1.00 64.43 H new ATOM 0 HB3 LEU A 52 22.450 -13.697 -5.129 1.00 64.43 H new ATOM 0 HG LEU A 52 22.555 -13.286 -2.640 1.00 34.11 H new ATOM 0 HD11 LEU A 52 24.744 -13.562 -1.546 1.00 64.35 H new ATOM 0 HD12 LEU A 52 24.049 -15.125 -2.038 1.00 64.35 H new ATOM 0 HD13 LEU A 52 25.359 -14.392 -2.995 1.00 64.35 H new ATOM 0 HD21 LEU A 52 24.260 -11.518 -2.837 1.00 2.40 H new ATOM 0 HD22 LEU A 52 24.855 -12.266 -4.339 1.00 2.40 H new ATOM 0 HD23 LEU A 52 23.211 -11.587 -4.273 1.00 2.40 H new ATOM 814 N LEU A 53 19.947 -15.243 -4.826 1.00 14.51 N ATOM 815 CA LEU A 53 18.535 -14.921 -4.644 1.00 24.25 C ATOM 816 C LEU A 53 17.889 -15.863 -3.633 1.00 75.22 C ATOM 817 O LEU A 53 17.112 -15.435 -2.778 1.00 20.40 O ATOM 818 CB LEU A 53 17.796 -15.003 -5.980 1.00 65.44 C ATOM 819 CG LEU A 53 17.657 -13.691 -6.752 1.00 40.31 C ATOM 820 CD1 LEU A 53 18.892 -12.824 -6.559 1.00 71.31 C ATOM 821 CD2 LEU A 53 17.420 -13.964 -8.230 1.00 45.34 C ATOM 0 H LEU A 53 20.206 -15.477 -5.784 1.00 14.51 H new ATOM 0 HA LEU A 53 18.466 -13.903 -4.261 1.00 24.25 H new ATOM 0 HB2 LEU A 53 18.314 -15.722 -6.615 1.00 65.44 H new ATOM 0 HB3 LEU A 53 16.798 -15.401 -5.796 1.00 65.44 H new ATOM 0 HG LEU A 53 16.795 -13.151 -6.360 1.00 40.31 H new ATOM 0 HD11 LEU A 53 18.775 -11.894 -7.116 1.00 71.31 H new ATOM 0 HD12 LEU A 53 19.017 -12.599 -5.500 1.00 71.31 H new ATOM 0 HD13 LEU A 53 19.771 -13.356 -6.923 1.00 71.31 H new ATOM 0 HD21 LEU A 53 17.323 -13.019 -8.764 1.00 45.34 H new ATOM 0 HD22 LEU A 53 18.262 -14.526 -8.636 1.00 45.34 H new ATOM 0 HD23 LEU A 53 16.505 -14.544 -8.351 1.00 45.34 H new ATOM 833 N LEU A 54 18.215 -17.147 -3.736 1.00 12.21 N ATOM 834 CA LEU A 54 17.667 -18.150 -2.829 1.00 65.35 C ATOM 835 C LEU A 54 18.353 -18.087 -1.469 1.00 4.34 C ATOM 836 O LEU A 54 17.693 -18.014 -0.432 1.00 22.25 O ATOM 837 CB LEU A 54 17.827 -19.549 -3.429 1.00 12.42 C ATOM 838 CG LEU A 54 17.211 -19.760 -4.813 1.00 4.24 C ATOM 839 CD1 LEU A 54 18.044 -20.741 -5.623 1.00 31.32 C ATOM 840 CD2 LEU A 54 15.776 -20.250 -4.689 1.00 22.13 C ATOM 0 H LEU A 54 18.855 -17.518 -4.438 1.00 12.21 H new ATOM 0 HA LEU A 54 16.607 -17.939 -2.690 1.00 65.35 H new ATOM 0 HB2 LEU A 54 18.891 -19.778 -3.488 1.00 12.42 H new ATOM 0 HB3 LEU A 54 17.384 -20.270 -2.742 1.00 12.42 H new ATOM 0 HG LEU A 54 17.203 -18.804 -5.336 1.00 4.24 H new ATOM 0 HD11 LEU A 54 17.591 -20.879 -6.605 1.00 31.32 H new ATOM 0 HD12 LEU A 54 19.054 -20.349 -5.741 1.00 31.32 H new ATOM 0 HD13 LEU A 54 18.085 -21.699 -5.104 1.00 31.32 H new ATOM 0 HD21 LEU A 54 15.354 -20.395 -5.683 1.00 22.13 H new ATOM 0 HD22 LEU A 54 15.760 -21.195 -4.147 1.00 22.13 H new ATOM 0 HD23 LEU A 54 15.185 -19.511 -4.148 1.00 22.13 H new ATOM 852 N HIS A 55 19.682 -18.112 -1.480 1.00 24.34 N ATOM 853 CA HIS A 55 20.458 -18.055 -0.246 1.00 5.30 C ATOM 854 C HIS A 55 20.074 -16.832 0.581 1.00 13.23 C ATOM 855 O HIS A 55 19.978 -16.903 1.807 1.00 52.13 O ATOM 856 CB HIS A 55 21.954 -18.022 -0.561 1.00 3.13 C ATOM 857 CG HIS A 55 22.822 -18.338 0.619 1.00 74.33 C ATOM 858 ND1 HIS A 55 22.844 -17.571 1.764 1.00 13.30 N ATOM 859 CD2 HIS A 55 23.699 -19.347 0.827 1.00 65.32 C ATOM 860 CE1 HIS A 55 23.699 -18.093 2.625 1.00 40.21 C ATOM 861 NE2 HIS A 55 24.232 -19.172 2.081 1.00 75.14 N ATOM 0 H HIS A 55 20.244 -18.171 -2.329 1.00 24.34 H new ATOM 0 HA HIS A 55 20.236 -18.950 0.336 1.00 5.30 H new ATOM 0 HB2 HIS A 55 22.165 -18.735 -1.358 1.00 3.13 H new ATOM 0 HB3 HIS A 55 22.215 -17.034 -0.940 1.00 3.13 H new ATOM 0 HD2 HIS A 55 23.936 -20.142 0.136 1.00 65.32 H new ATOM 0 HE1 HIS A 55 23.924 -17.704 3.607 1.00 40.21 H new ATOM 0 HE2 HIS A 55 24.926 -19.777 2.520 1.00 75.14 H new ATOM 869 N LYS A 56 19.855 -15.710 -0.096 1.00 61.04 N ATOM 870 CA LYS A 56 19.480 -14.471 0.574 1.00 4.15 C ATOM 871 C LYS A 56 18.073 -14.571 1.155 1.00 4.42 C ATOM 872 O LYS A 56 17.776 -13.978 2.192 1.00 72.34 O ATOM 873 CB LYS A 56 19.559 -13.295 -0.401 1.00 54.44 C ATOM 874 CG LYS A 56 20.973 -12.798 -0.644 1.00 25.35 C ATOM 875 CD LYS A 56 21.517 -12.053 0.564 1.00 42.12 C ATOM 876 CE LYS A 56 22.958 -12.442 0.857 1.00 42.15 C ATOM 877 NZ LYS A 56 23.356 -12.090 2.248 1.00 42.44 N ATOM 0 H LYS A 56 19.931 -15.634 -1.110 1.00 61.04 H new ATOM 0 HA LYS A 56 20.181 -14.303 1.392 1.00 4.15 H new ATOM 0 HB2 LYS A 56 19.120 -13.593 -1.353 1.00 54.44 H new ATOM 0 HB3 LYS A 56 18.956 -12.473 -0.015 1.00 54.44 H new ATOM 0 HG2 LYS A 56 21.622 -13.643 -0.874 1.00 25.35 H new ATOM 0 HG3 LYS A 56 20.984 -12.141 -1.514 1.00 25.35 H new ATOM 0 HD2 LYS A 56 21.458 -10.979 0.387 1.00 42.12 H new ATOM 0 HD3 LYS A 56 20.897 -12.267 1.434 1.00 42.12 H new ATOM 0 HE2 LYS A 56 23.083 -13.514 0.704 1.00 42.15 H new ATOM 0 HE3 LYS A 56 23.620 -11.940 0.152 1.00 42.15 H new ATOM 0 HZ1 LYS A 56 24.344 -12.371 2.408 1.00 42.44 H new ATOM 0 HZ2 LYS A 56 23.261 -11.064 2.387 1.00 42.44 H new ATOM 0 HZ3 LYS A 56 22.741 -12.589 2.922 1.00 42.44 H new ATOM 891 N GLY A 57 17.211 -15.325 0.481 1.00 64.45 N ATOM 892 CA GLY A 57 15.847 -15.490 0.946 1.00 53.20 C ATOM 893 C GLY A 57 15.764 -16.293 2.229 1.00 65.23 C ATOM 894 O GLY A 57 15.153 -15.858 3.205 1.00 62.21 O ATOM 0 H GLY A 57 17.433 -15.825 -0.380 1.00 64.45 H new ATOM 0 HA2 GLY A 57 15.400 -14.509 1.106 1.00 53.20 H new ATOM 0 HA3 GLY A 57 15.260 -15.986 0.172 1.00 53.20 H new ATOM 898 N LYS A 58 16.380 -17.471 2.228 1.00 41.31 N ATOM 899 CA LYS A 58 16.374 -18.338 3.400 1.00 63.43 C ATOM 900 C LYS A 58 17.081 -17.671 4.575 1.00 41.52 C ATOM 901 O LYS A 58 16.820 -17.995 5.733 1.00 52.53 O ATOM 902 CB LYS A 58 17.051 -19.672 3.075 1.00 33.33 C ATOM 903 CG LYS A 58 18.457 -19.522 2.521 1.00 30.44 C ATOM 904 CD LYS A 58 19.479 -19.352 3.633 1.00 52.41 C ATOM 905 CE LYS A 58 20.599 -20.374 3.522 1.00 21.42 C ATOM 906 NZ LYS A 58 21.584 -20.241 4.632 1.00 75.14 N ATOM 0 H LYS A 58 16.890 -17.847 1.428 1.00 41.31 H new ATOM 0 HA LYS A 58 15.337 -18.521 3.680 1.00 63.43 H new ATOM 0 HB2 LYS A 58 17.089 -20.280 3.979 1.00 33.33 H new ATOM 0 HB3 LYS A 58 16.441 -20.213 2.352 1.00 33.33 H new ATOM 0 HG2 LYS A 58 18.709 -20.399 1.924 1.00 30.44 H new ATOM 0 HG3 LYS A 58 18.496 -18.661 1.854 1.00 30.44 H new ATOM 0 HD2 LYS A 58 19.898 -18.346 3.593 1.00 52.41 H new ATOM 0 HD3 LYS A 58 18.986 -19.454 4.600 1.00 52.41 H new ATOM 0 HE2 LYS A 58 20.176 -21.379 3.530 1.00 21.42 H new ATOM 0 HE3 LYS A 58 21.109 -20.251 2.567 1.00 21.42 H new ATOM 0 HZ1 LYS A 58 22.332 -20.955 4.520 1.00 75.14 H new ATOM 0 HZ2 LYS A 58 22.007 -19.291 4.609 1.00 75.14 H new ATOM 0 HZ3 LYS A 58 21.102 -20.384 5.543 1.00 75.14 H new ATOM 920 N GLU A 59 17.976 -16.736 4.268 1.00 32.21 N ATOM 921 CA GLU A 59 18.719 -16.023 5.300 1.00 11.03 C ATOM 922 C GLU A 59 17.866 -14.921 5.921 1.00 12.52 C ATOM 923 O GLU A 59 17.595 -14.931 7.122 1.00 23.32 O ATOM 924 CB GLU A 59 20.000 -15.424 4.716 1.00 52.21 C ATOM 925 CG GLU A 59 20.791 -14.590 5.710 1.00 33.42 C ATOM 926 CD GLU A 59 21.060 -15.329 7.007 1.00 72.22 C ATOM 927 OE1 GLU A 59 21.173 -16.572 6.968 1.00 33.40 O ATOM 928 OE2 GLU A 59 21.157 -14.665 8.060 1.00 42.14 O ATOM 0 H GLU A 59 18.203 -16.455 3.314 1.00 32.21 H new ATOM 0 HA GLU A 59 18.984 -16.737 6.080 1.00 11.03 H new ATOM 0 HB2 GLU A 59 20.633 -16.231 4.347 1.00 52.21 H new ATOM 0 HB3 GLU A 59 19.742 -14.803 3.858 1.00 52.21 H new ATOM 0 HG2 GLU A 59 21.739 -14.297 5.260 1.00 33.42 H new ATOM 0 HG3 GLU A 59 20.244 -13.672 5.926 1.00 33.42 H new ATOM 935 N VAL A 60 17.445 -13.969 5.094 1.00 43.12 N ATOM 936 CA VAL A 60 16.623 -12.859 5.560 1.00 32.01 C ATOM 937 C VAL A 60 15.419 -13.361 6.350 1.00 42.11 C ATOM 938 O VAL A 60 14.934 -12.686 7.259 1.00 54.24 O ATOM 939 CB VAL A 60 16.128 -11.995 4.385 1.00 13.11 C ATOM 940 CG1 VAL A 60 17.303 -11.476 3.572 1.00 44.54 C ATOM 941 CG2 VAL A 60 15.170 -12.787 3.508 1.00 64.32 C ATOM 0 H VAL A 60 17.660 -13.945 4.097 1.00 43.12 H new ATOM 0 HA VAL A 60 17.252 -12.250 6.209 1.00 32.01 H new ATOM 0 HB VAL A 60 15.590 -11.137 4.789 1.00 13.11 H new ATOM 0 HG11 VAL A 60 16.934 -10.868 2.746 1.00 44.54 H new ATOM 0 HG12 VAL A 60 17.947 -10.870 4.209 1.00 44.54 H new ATOM 0 HG13 VAL A 60 17.872 -12.318 3.177 1.00 44.54 H new ATOM 0 HG21 VAL A 60 14.830 -12.161 2.683 1.00 64.32 H new ATOM 0 HG22 VAL A 60 15.681 -13.664 3.111 1.00 64.32 H new ATOM 0 HG23 VAL A 60 14.312 -13.104 4.100 1.00 64.32 H new ATOM 951 N LEU A 61 14.942 -14.550 5.998 1.00 1.24 N ATOM 952 CA LEU A 61 13.794 -15.144 6.675 1.00 63.11 C ATOM 953 C LEU A 61 14.180 -15.646 8.063 1.00 40.41 C ATOM 954 O LEU A 61 13.400 -15.543 9.009 1.00 73.13 O ATOM 955 CB LEU A 61 13.227 -16.296 5.843 1.00 4.03 C ATOM 956 CG LEU A 61 12.537 -15.904 4.537 1.00 54.03 C ATOM 957 CD1 LEU A 61 12.418 -17.107 3.614 1.00 51.11 C ATOM 958 CD2 LEU A 61 11.165 -15.307 4.817 1.00 42.13 C ATOM 0 H LEU A 61 15.332 -15.121 5.248 1.00 1.24 H new ATOM 0 HA LEU A 61 13.031 -14.374 6.787 1.00 63.11 H new ATOM 0 HB2 LEU A 61 14.040 -16.983 5.609 1.00 4.03 H new ATOM 0 HB3 LEU A 61 12.513 -16.844 6.457 1.00 4.03 H new ATOM 0 HG LEU A 61 13.146 -15.149 4.040 1.00 54.03 H new ATOM 0 HD11 LEU A 61 11.924 -16.809 2.689 1.00 51.11 H new ATOM 0 HD12 LEU A 61 13.412 -17.491 3.387 1.00 51.11 H new ATOM 0 HD13 LEU A 61 11.832 -17.885 4.104 1.00 51.11 H new ATOM 0 HD21 LEU A 61 10.688 -15.034 3.876 1.00 42.13 H new ATOM 0 HD22 LEU A 61 10.548 -16.040 5.337 1.00 42.13 H new ATOM 0 HD23 LEU A 61 11.275 -14.419 5.439 1.00 42.13 H new ATOM 970 N GLU A 62 15.389 -16.186 8.176 1.00 4.14 N ATOM 971 CA GLU A 62 15.878 -16.702 9.450 1.00 43.43 C ATOM 972 C GLU A 62 16.356 -15.566 10.349 1.00 5.44 C ATOM 973 O GLU A 62 16.253 -15.644 11.574 1.00 64.15 O ATOM 974 CB GLU A 62 17.017 -17.697 9.218 1.00 31.45 C ATOM 975 CG GLU A 62 16.541 -19.117 8.960 1.00 32.12 C ATOM 976 CD GLU A 62 17.361 -20.152 9.706 1.00 35.01 C ATOM 977 OE1 GLU A 62 17.130 -20.328 10.921 1.00 55.22 O ATOM 978 OE2 GLU A 62 18.233 -20.786 9.076 1.00 54.41 O ATOM 0 H GLU A 62 16.047 -16.278 7.402 1.00 4.14 H new ATOM 0 HA GLU A 62 15.054 -17.213 9.947 1.00 43.43 H new ATOM 0 HB2 GLU A 62 17.613 -17.363 8.369 1.00 31.45 H new ATOM 0 HB3 GLU A 62 17.673 -17.695 10.089 1.00 31.45 H new ATOM 0 HG2 GLU A 62 15.496 -19.205 9.256 1.00 32.12 H new ATOM 0 HG3 GLU A 62 16.588 -19.323 7.891 1.00 32.12 H new ATOM 985 N TRP A 63 16.880 -14.512 9.733 1.00 14.35 N ATOM 986 CA TRP A 63 17.374 -13.359 10.478 1.00 25.41 C ATOM 987 C TRP A 63 16.220 -12.505 10.989 1.00 51.40 C ATOM 988 O TRP A 63 16.243 -12.028 12.123 1.00 2.22 O ATOM 989 CB TRP A 63 18.299 -12.516 9.598 1.00 30.42 C ATOM 990 CG TRP A 63 18.806 -11.282 10.281 1.00 64.40 C ATOM 991 CD1 TRP A 63 18.313 -10.015 10.156 1.00 21.00 C ATOM 992 CD2 TRP A 63 19.907 -11.199 11.193 1.00 51.31 C ATOM 993 NE1 TRP A 63 19.041 -9.148 10.935 1.00 32.45 N ATOM 994 CE2 TRP A 63 20.024 -9.850 11.582 1.00 14.12 C ATOM 995 CE3 TRP A 63 20.804 -12.132 11.720 1.00 13.31 C ATOM 996 CZ2 TRP A 63 21.002 -9.414 12.472 1.00 34.44 C ATOM 997 CZ3 TRP A 63 21.774 -11.698 12.603 1.00 11.23 C ATOM 998 CH2 TRP A 63 21.866 -10.349 12.973 1.00 63.41 C ATOM 0 H TRP A 63 16.974 -14.432 8.720 1.00 14.35 H new ATOM 0 HA TRP A 63 17.936 -13.726 11.337 1.00 25.41 H new ATOM 0 HB2 TRP A 63 19.148 -13.125 9.287 1.00 30.42 H new ATOM 0 HB3 TRP A 63 17.765 -12.228 8.693 1.00 30.42 H new ATOM 0 HD1 TRP A 63 17.474 -9.735 9.536 1.00 21.00 H new ATOM 0 HE1 TRP A 63 18.876 -8.145 11.018 1.00 32.45 H new ATOM 0 HE3 TRP A 63 20.740 -13.174 11.442 1.00 13.31 H new ATOM 0 HZ2 TRP A 63 21.076 -8.375 12.757 1.00 34.44 H new ATOM 0 HZ3 TRP A 63 22.473 -12.410 13.015 1.00 11.23 H new ATOM 0 HH2 TRP A 63 22.634 -10.042 13.667 1.00 63.41 H new ATOM 1009 N ALA A 64 15.211 -12.315 10.145 1.00 40.01 N ATOM 1010 CA ALA A 64 14.046 -11.519 10.513 1.00 65.31 C ATOM 1011 C ALA A 64 13.422 -12.026 11.808 1.00 22.44 C ATOM 1012 O ALA A 64 12.895 -11.246 12.601 1.00 63.15 O ATOM 1013 CB ALA A 64 13.021 -11.534 9.389 1.00 33.32 C ATOM 0 H ALA A 64 15.177 -12.701 9.202 1.00 40.01 H new ATOM 0 HA ALA A 64 14.374 -10.493 10.677 1.00 65.31 H new ATOM 0 HB1 ALA A 64 12.156 -10.936 9.677 1.00 33.32 H new ATOM 0 HB2 ALA A 64 13.466 -11.117 8.485 1.00 33.32 H new ATOM 0 HB3 ALA A 64 12.705 -12.560 9.198 1.00 33.32 H new ATOM 1019 N GLU A 65 13.485 -13.338 12.017 1.00 51.15 N ATOM 1020 CA GLU A 65 12.924 -13.948 13.216 1.00 34.01 C ATOM 1021 C GLU A 65 13.825 -13.704 14.423 1.00 13.23 C ATOM 1022 O GLU A 65 13.367 -13.719 15.567 1.00 44.34 O ATOM 1023 CB GLU A 65 12.729 -15.451 13.007 1.00 33.23 C ATOM 1024 CG GLU A 65 11.715 -15.789 11.927 1.00 61.21 C ATOM 1025 CD GLU A 65 10.751 -16.880 12.352 1.00 63.12 C ATOM 1026 OE1 GLU A 65 9.891 -16.609 13.215 1.00 74.02 O ATOM 1027 OE2 GLU A 65 10.858 -18.005 11.820 1.00 22.34 O ATOM 0 H GLU A 65 13.919 -13.998 11.371 1.00 51.15 H new ATOM 0 HA GLU A 65 11.955 -13.487 13.408 1.00 34.01 H new ATOM 0 HB2 GLU A 65 13.687 -15.900 12.747 1.00 33.23 H new ATOM 0 HB3 GLU A 65 12.410 -15.902 13.947 1.00 33.23 H new ATOM 0 HG2 GLU A 65 11.152 -14.892 11.669 1.00 61.21 H new ATOM 0 HG3 GLU A 65 12.241 -16.105 11.026 1.00 61.21 H new ATOM 1034 N HIS A 66 15.108 -13.480 14.160 1.00 3.45 N ATOM 1035 CA HIS A 66 16.075 -13.232 15.225 1.00 74.14 C ATOM 1036 C HIS A 66 15.795 -11.900 15.914 1.00 54.03 C ATOM 1037 O HIS A 66 15.648 -11.840 17.135 1.00 5.43 O ATOM 1038 CB HIS A 66 17.497 -13.240 14.663 1.00 33.00 C ATOM 1039 CG HIS A 66 18.396 -14.239 15.323 1.00 31.24 C ATOM 1040 ND1 HIS A 66 19.234 -13.921 16.371 1.00 42.41 N ATOM 1041 CD2 HIS A 66 18.584 -15.558 15.081 1.00 53.41 C ATOM 1042 CE1 HIS A 66 19.900 -14.999 16.743 1.00 61.22 C ATOM 1043 NE2 HIS A 66 19.523 -16.007 15.976 1.00 3.50 N ATOM 0 H HIS A 66 15.503 -13.465 13.220 1.00 3.45 H new ATOM 0 HA HIS A 66 15.979 -14.029 15.962 1.00 74.14 H new ATOM 0 HB2 HIS A 66 17.455 -13.451 13.594 1.00 33.00 H new ATOM 0 HB3 HIS A 66 17.929 -12.245 14.775 1.00 33.00 H new ATOM 0 HD2 HIS A 66 18.087 -16.147 14.324 1.00 53.41 H new ATOM 0 HE1 HIS A 66 20.629 -15.048 17.539 1.00 61.22 H new ATOM 0 HE2 HIS A 66 19.873 -16.963 16.039 1.00 3.50 H new ATOM 1051 N LEU A 67 15.722 -10.835 15.124 1.00 53.44 N ATOM 1052 CA LEU A 67 15.460 -9.503 15.657 1.00 11.55 C ATOM 1053 C LEU A 67 14.022 -9.388 16.154 1.00 3.13 C ATOM 1054 O LEU A 67 13.743 -8.676 17.119 1.00 64.42 O ATOM 1055 CB LEU A 67 15.728 -8.441 14.589 1.00 63.41 C ATOM 1056 CG LEU A 67 14.649 -8.279 13.518 1.00 71.20 C ATOM 1057 CD1 LEU A 67 13.670 -7.183 13.908 1.00 2.35 C ATOM 1058 CD2 LEU A 67 15.280 -7.977 12.166 1.00 33.25 C ATOM 0 H LEU A 67 15.841 -10.868 14.111 1.00 53.44 H new ATOM 0 HA LEU A 67 16.131 -9.339 16.500 1.00 11.55 H new ATOM 0 HB2 LEU A 67 15.865 -7.481 15.086 1.00 63.41 H new ATOM 0 HB3 LEU A 67 16.669 -8.681 14.095 1.00 63.41 H new ATOM 0 HG LEU A 67 14.100 -9.217 13.439 1.00 71.20 H new ATOM 0 HD11 LEU A 67 12.909 -7.082 13.134 1.00 2.35 H new ATOM 0 HD12 LEU A 67 13.193 -7.441 14.854 1.00 2.35 H new ATOM 0 HD13 LEU A 67 14.205 -6.239 14.016 1.00 2.35 H new ATOM 0 HD21 LEU A 67 14.497 -7.865 11.416 1.00 33.25 H new ATOM 0 HD22 LEU A 67 15.855 -7.053 12.231 1.00 33.25 H new ATOM 0 HD23 LEU A 67 15.940 -8.796 11.882 1.00 33.25 H new ATOM 1070 N ALA A 68 13.114 -10.095 15.490 1.00 51.10 N ATOM 1071 CA ALA A 68 11.706 -10.076 15.867 1.00 50.14 C ATOM 1072 C ALA A 68 11.502 -10.668 17.257 1.00 75.32 C ATOM 1073 O ALA A 68 10.631 -10.228 18.006 1.00 33.25 O ATOM 1074 CB ALA A 68 10.875 -10.832 14.841 1.00 70.50 C ATOM 0 H ALA A 68 13.328 -10.688 14.688 1.00 51.10 H new ATOM 0 HA ALA A 68 11.376 -9.038 15.892 1.00 50.14 H new ATOM 0 HB1 ALA A 68 9.826 -10.810 15.135 1.00 70.50 H new ATOM 0 HB2 ALA A 68 10.988 -10.362 13.864 1.00 70.50 H new ATOM 0 HB3 ALA A 68 11.215 -11.866 14.788 1.00 70.50 H new ATOM 1080 N GLU A 69 12.309 -11.669 17.593 1.00 4.04 N ATOM 1081 CA GLU A 69 12.215 -12.322 18.894 1.00 73.03 C ATOM 1082 C GLU A 69 12.933 -11.507 19.965 1.00 21.24 C ATOM 1083 O GLU A 69 12.655 -11.646 21.156 1.00 32.54 O ATOM 1084 CB GLU A 69 12.807 -13.731 18.826 1.00 63.10 C ATOM 1085 CG GLU A 69 11.922 -14.730 18.100 1.00 52.43 C ATOM 1086 CD GLU A 69 11.260 -15.716 19.042 1.00 14.32 C ATOM 1087 OE1 GLU A 69 11.910 -16.122 20.028 1.00 3.51 O ATOM 1088 OE2 GLU A 69 10.092 -16.082 18.794 1.00 11.34 O ATOM 0 H GLU A 69 13.035 -12.046 16.983 1.00 4.04 H new ATOM 0 HA GLU A 69 11.161 -12.392 19.162 1.00 73.03 H new ATOM 0 HB2 GLU A 69 13.775 -13.685 18.326 1.00 63.10 H new ATOM 0 HB3 GLU A 69 12.988 -14.089 19.839 1.00 63.10 H new ATOM 0 HG2 GLU A 69 11.154 -14.192 17.544 1.00 52.43 H new ATOM 0 HG3 GLU A 69 12.520 -15.276 17.370 1.00 52.43 H new ATOM 1095 N TRP A 70 13.858 -10.658 19.533 1.00 1.12 N ATOM 1096 CA TRP A 70 14.617 -9.821 20.455 1.00 4.11 C ATOM 1097 C TRP A 70 13.701 -9.189 21.497 1.00 22.13 C ATOM 1098 O TRP A 70 14.078 -9.042 22.660 1.00 31.44 O ATOM 1099 CB TRP A 70 15.366 -8.730 19.687 1.00 12.15 C ATOM 1100 CG TRP A 70 16.755 -8.491 20.198 1.00 54.23 C ATOM 1101 CD1 TRP A 70 17.122 -7.656 21.214 1.00 11.21 C ATOM 1102 CD2 TRP A 70 17.961 -9.092 19.714 1.00 54.10 C ATOM 1103 NE1 TRP A 70 18.484 -7.702 21.391 1.00 13.43 N ATOM 1104 CE2 TRP A 70 19.021 -8.576 20.484 1.00 3.21 C ATOM 1105 CE3 TRP A 70 18.248 -10.017 18.707 1.00 73.20 C ATOM 1106 CZ2 TRP A 70 20.345 -8.954 20.276 1.00 72.51 C ATOM 1107 CZ3 TRP A 70 19.562 -10.392 18.501 1.00 11.25 C ATOM 1108 CH2 TRP A 70 20.597 -9.862 19.283 1.00 0.12 C ATOM 0 H TRP A 70 14.101 -10.531 18.550 1.00 1.12 H new ATOM 0 HA TRP A 70 15.339 -10.454 20.970 1.00 4.11 H new ATOM 0 HB2 TRP A 70 15.417 -9.006 18.634 1.00 12.15 H new ATOM 0 HB3 TRP A 70 14.800 -7.800 19.746 1.00 12.15 H new ATOM 0 HD1 TRP A 70 16.442 -7.049 21.793 1.00 11.21 H new ATOM 0 HE1 TRP A 70 19.010 -7.171 22.085 1.00 13.43 H new ATOM 0 HE3 TRP A 70 17.457 -10.432 18.100 1.00 73.20 H new ATOM 0 HZ2 TRP A 70 21.144 -8.545 20.877 1.00 72.51 H new ATOM 0 HZ3 TRP A 70 19.795 -11.105 17.724 1.00 11.25 H new ATOM 0 HH2 TRP A 70 21.614 -10.176 19.099 1.00 0.12 H new ATOM 1119 N ILE A 71 12.498 -8.817 21.073 1.00 21.34 N ATOM 1120 CA ILE A 71 11.529 -8.203 21.972 1.00 54.53 C ATOM 1121 C ILE A 71 11.361 -9.024 23.245 1.00 20.23 C ATOM 1122 O ILE A 71 11.326 -8.479 24.349 1.00 4.22 O ATOM 1123 CB ILE A 71 10.155 -8.042 21.293 1.00 23.22 C ATOM 1124 CG1 ILE A 71 9.674 -9.386 20.743 1.00 70.22 C ATOM 1125 CG2 ILE A 71 10.231 -7.005 20.182 1.00 21.35 C ATOM 1126 CD1 ILE A 71 8.471 -9.271 19.833 1.00 43.34 C ATOM 0 H ILE A 71 12.171 -8.930 20.113 1.00 21.34 H new ATOM 0 HA ILE A 71 11.917 -7.217 22.228 1.00 54.53 H new ATOM 0 HB ILE A 71 9.437 -7.697 22.036 1.00 23.22 H new ATOM 0 HG12 ILE A 71 10.490 -9.858 20.196 1.00 70.22 H new ATOM 0 HG13 ILE A 71 9.427 -10.043 21.577 1.00 70.22 H new ATOM 0 HG21 ILE A 71 9.253 -6.903 19.712 1.00 21.35 H new ATOM 0 HG22 ILE A 71 10.535 -6.045 20.600 1.00 21.35 H new ATOM 0 HG23 ILE A 71 10.960 -7.323 19.437 1.00 21.35 H new ATOM 0 HD11 ILE A 71 8.185 -10.262 19.481 1.00 43.34 H new ATOM 0 HD12 ILE A 71 7.640 -8.828 20.382 1.00 43.34 H new ATOM 0 HD13 ILE A 71 8.719 -8.640 18.980 1.00 43.34 H new ATOM 1138 N LEU A 72 11.259 -10.339 23.085 1.00 2.02 N ATOM 1139 CA LEU A 72 11.097 -11.238 24.223 1.00 43.13 C ATOM 1140 C LEU A 72 12.400 -11.366 25.006 1.00 41.43 C ATOM 1141 O LEU A 72 12.396 -11.384 26.236 1.00 42.50 O ATOM 1142 CB LEU A 72 10.638 -12.617 23.747 1.00 71.14 C ATOM 1143 CG LEU A 72 9.415 -12.637 22.829 1.00 70.41 C ATOM 1144 CD1 LEU A 72 9.766 -13.258 21.486 1.00 72.43 C ATOM 1145 CD2 LEU A 72 8.269 -13.393 23.485 1.00 75.22 C ATOM 0 H LEU A 72 11.286 -10.806 22.179 1.00 2.02 H new ATOM 0 HA LEU A 72 10.338 -10.816 24.882 1.00 43.13 H new ATOM 0 HB2 LEU A 72 11.467 -13.094 23.225 1.00 71.14 H new ATOM 0 HB3 LEU A 72 10.420 -13.228 24.623 1.00 71.14 H new ATOM 0 HG LEU A 72 9.095 -11.609 22.658 1.00 70.41 H new ATOM 0 HD11 LEU A 72 8.884 -13.264 20.846 1.00 72.43 H new ATOM 0 HD12 LEU A 72 10.555 -12.675 21.011 1.00 72.43 H new ATOM 0 HD13 LEU A 72 10.111 -14.281 21.637 1.00 72.43 H new ATOM 0 HD21 LEU A 72 7.407 -13.397 22.818 1.00 75.22 H new ATOM 0 HD22 LEU A 72 8.578 -14.419 23.686 1.00 75.22 H new ATOM 0 HD23 LEU A 72 8.000 -12.905 24.422 1.00 75.22 H new ATOM 1157 N GLU A 73 13.513 -11.452 24.283 1.00 12.23 N ATOM 1158 CA GLU A 73 14.823 -11.576 24.911 1.00 32.14 C ATOM 1159 C GLU A 73 15.084 -10.410 25.861 1.00 33.41 C ATOM 1160 O GLU A 73 15.789 -10.555 26.860 1.00 44.30 O ATOM 1161 CB GLU A 73 15.920 -11.636 23.847 1.00 60.04 C ATOM 1162 CG GLU A 73 17.129 -12.457 24.264 1.00 53.14 C ATOM 1163 CD GLU A 73 17.301 -13.709 23.426 1.00 73.11 C ATOM 1164 OE1 GLU A 73 17.952 -13.627 22.364 1.00 44.53 O ATOM 1165 OE2 GLU A 73 16.784 -14.771 23.832 1.00 50.21 O ATOM 0 H GLU A 73 13.533 -11.438 23.263 1.00 12.23 H new ATOM 0 HA GLU A 73 14.835 -12.501 25.487 1.00 32.14 H new ATOM 0 HB2 GLU A 73 15.504 -12.057 22.932 1.00 60.04 H new ATOM 0 HB3 GLU A 73 16.243 -10.622 23.613 1.00 60.04 H new ATOM 0 HG2 GLU A 73 18.026 -11.843 24.182 1.00 53.14 H new ATOM 0 HG3 GLU A 73 17.029 -12.737 25.313 1.00 53.14 H new ATOM 1172 N HIS A 74 14.510 -9.255 25.542 1.00 54.22 N ATOM 1173 CA HIS A 74 14.679 -8.063 26.366 1.00 65.31 C ATOM 1174 C HIS A 74 13.713 -8.077 27.546 1.00 14.31 C ATOM 1175 O HIS A 74 12.866 -8.965 27.657 1.00 4.43 O ATOM 1176 CB HIS A 74 14.463 -6.803 25.528 1.00 14.22 C ATOM 1177 CG HIS A 74 15.595 -5.827 25.611 1.00 45.35 C ATOM 1178 ND1 HIS A 74 15.550 -4.684 26.381 1.00 52.11 N ATOM 1179 CD2 HIS A 74 16.811 -5.829 25.015 1.00 52.55 C ATOM 1180 CE1 HIS A 74 16.687 -4.024 26.254 1.00 63.22 C ATOM 1181 NE2 HIS A 74 17.470 -4.698 25.430 1.00 10.14 N ATOM 0 H HIS A 74 13.924 -9.119 24.719 1.00 54.22 H new ATOM 0 HA HIS A 74 15.698 -8.061 26.754 1.00 65.31 H new ATOM 0 HB2 HIS A 74 14.317 -7.090 24.487 1.00 14.22 H new ATOM 0 HB3 HIS A 74 13.546 -6.312 25.855 1.00 14.22 H new ATOM 0 HD2 HIS A 74 17.192 -6.580 24.339 1.00 52.55 H new ATOM 0 HE1 HIS A 74 16.935 -3.092 26.741 1.00 63.22 H new ATOM 0 HE2 HIS A 74 18.411 -4.423 25.148 1.00 10.14 H new