USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 595 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 29 HIS : no HE2:sc= 0.93 K(o=0.83,f=-4.9!) USER MOD Set 1.2: A 61 THR OG1 : rot 73:sc= -0.0971 USER MOD Set 2.1: A 25 SER OG : rot 150:sc= 0.0498 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -117:sc= 0.0507 (180deg=0) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.96 (180deg=-2.97!) USER MOD Single : A 13 MET CE :methyl 165:sc= -0.296 (180deg=-0.651) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.333 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.0565 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.127 F(o=-0.92,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.09) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -16:sc= 0.974 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 150:sc= -0.632 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 42 ASN : amide:sc= 0.267 K(o=0.27,f=-0.27) USER MOD Single : A 43 LYS NZ :NH3+ -111:sc= 1.2 (180deg=-0.364!) USER MOD Single : A 45 HIS : no HE2:sc= -2.61! K(o=-2.6!,f=-3.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -148:sc= 1.32 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.913 -15.331 1.912 1.00 4.81 N ATOM 2 CA MET A 1 10.697 -15.745 3.083 1.00 4.11 C ATOM 3 C MET A 1 9.997 -15.296 4.368 1.00 3.56 C ATOM 4 O MET A 1 8.950 -15.846 4.693 1.00 4.60 O ATOM 5 CB MET A 1 12.169 -15.303 2.994 1.00 4.13 C ATOM 6 CG MET A 1 12.890 -15.898 1.776 1.00 5.28 C ATOM 7 SD MET A 1 14.672 -15.581 1.677 1.00 6.04 S ATOM 8 CE MET A 1 15.283 -16.554 3.072 1.00 6.80 C ATOM 0 H1 MET A 1 9.993 -16.053 1.168 1.00 4.81 H new ATOM 0 H2 MET A 1 8.915 -15.223 2.183 1.00 4.81 H new ATOM 0 H3 MET A 1 10.275 -14.424 1.555 1.00 4.81 H new ATOM 0 HA MET A 1 10.741 -16.834 3.103 1.00 4.11 H new ATOM 0 HB2 MET A 1 12.216 -14.215 2.944 1.00 4.13 H new ATOM 0 HB3 MET A 1 12.690 -15.603 3.903 1.00 4.13 H new ATOM 0 HG2 MET A 1 12.732 -16.976 1.776 1.00 5.28 H new ATOM 0 HG3 MET A 1 12.420 -15.507 0.873 1.00 5.28 H new ATOM 0 HE1 MET A 1 16.371 -16.602 3.033 1.00 6.80 H new ATOM 0 HE2 MET A 1 14.973 -16.085 4.006 1.00 6.80 H new ATOM 0 HE3 MET A 1 14.873 -17.563 3.019 1.00 6.80 H new ATOM 20 N GLY A 2 10.560 -14.334 5.108 1.00 3.06 N ATOM 21 CA GLY A 2 9.943 -13.814 6.321 1.00 3.61 C ATOM 22 C GLY A 2 8.908 -12.759 5.946 1.00 3.19 C ATOM 23 O GLY A 2 7.707 -13.013 5.988 1.00 4.30 O ATOM 0 H GLY A 2 11.454 -13.899 4.879 1.00 3.06 H new ATOM 0 HA2 GLY A 2 9.470 -14.623 6.878 1.00 3.61 H new ATOM 0 HA3 GLY A 2 10.702 -13.380 6.972 1.00 3.61 H new ATOM 27 N ASP A 3 9.401 -11.583 5.549 1.00 2.24 N ATOM 28 CA ASP A 3 8.640 -10.543 4.880 1.00 1.85 C ATOM 29 C ASP A 3 9.639 -9.665 4.131 1.00 1.35 C ATOM 30 O ASP A 3 10.848 -9.869 4.247 1.00 2.02 O ATOM 31 CB ASP A 3 7.755 -9.737 5.853 1.00 2.74 C ATOM 32 CG ASP A 3 8.504 -8.754 6.742 1.00 3.06 C ATOM 33 OD1 ASP A 3 9.221 -7.869 6.224 1.00 3.47 O ATOM 34 OD2 ASP A 3 8.287 -8.777 7.973 1.00 3.93 O ATOM 0 H ASP A 3 10.378 -11.327 5.693 1.00 2.24 H new ATOM 0 HA ASP A 3 7.934 -10.988 4.179 1.00 1.85 H new ATOM 0 HB2 ASP A 3 7.013 -9.187 5.274 1.00 2.74 H new ATOM 0 HB3 ASP A 3 7.210 -10.436 6.488 1.00 2.74 H new ATOM 39 N GLY A 4 9.119 -8.702 3.377 1.00 1.21 N ATOM 40 CA GLY A 4 9.828 -7.538 2.894 1.00 1.31 C ATOM 41 C GLY A 4 8.899 -6.343 3.086 1.00 1.20 C ATOM 42 O GLY A 4 7.728 -6.513 3.444 1.00 1.86 O ATOM 0 H GLY A 4 8.145 -8.720 3.076 1.00 1.21 H new ATOM 0 HA2 GLY A 4 10.758 -7.396 3.444 1.00 1.31 H new ATOM 0 HA3 GLY A 4 10.094 -7.656 1.843 1.00 1.31 H new ATOM 46 N VAL A 5 9.411 -5.132 2.843 1.00 1.03 N ATOM 47 CA VAL A 5 8.619 -3.911 2.898 1.00 1.03 C ATOM 48 C VAL A 5 8.665 -3.241 1.528 1.00 1.11 C ATOM 49 O VAL A 5 9.687 -3.317 0.846 1.00 1.70 O ATOM 50 CB VAL A 5 9.053 -2.976 4.051 1.00 1.19 C ATOM 51 CG1 VAL A 5 9.717 -3.737 5.205 1.00 2.06 C ATOM 52 CG2 VAL A 5 9.974 -1.829 3.618 1.00 2.55 C ATOM 0 H VAL A 5 10.390 -4.977 2.602 1.00 1.03 H new ATOM 0 HA VAL A 5 7.583 -4.160 3.129 1.00 1.03 H new ATOM 0 HB VAL A 5 8.116 -2.537 4.394 1.00 1.19 H new ATOM 0 HG11 VAL A 5 10.002 -3.034 5.988 1.00 2.06 H new ATOM 0 HG12 VAL A 5 9.016 -4.467 5.610 1.00 2.06 H new ATOM 0 HG13 VAL A 5 10.605 -4.252 4.838 1.00 2.06 H new ATOM 0 HG21 VAL A 5 10.231 -1.221 4.486 1.00 2.55 H new ATOM 0 HG22 VAL A 5 10.884 -2.239 3.179 1.00 2.55 H new ATOM 0 HG23 VAL A 5 9.463 -1.210 2.881 1.00 2.55 H new ATOM 62 N LEU A 6 7.579 -2.576 1.134 1.00 0.82 N ATOM 63 CA LEU A 6 7.544 -1.714 -0.036 1.00 0.86 C ATOM 64 C LEU A 6 6.831 -0.425 0.366 1.00 0.79 C ATOM 65 O LEU A 6 5.657 -0.450 0.734 1.00 1.02 O ATOM 66 CB LEU A 6 6.872 -2.446 -1.210 1.00 1.03 C ATOM 67 CG LEU A 6 7.243 -1.882 -2.594 1.00 1.14 C ATOM 68 CD1 LEU A 6 6.739 -2.842 -3.676 1.00 2.33 C ATOM 69 CD2 LEU A 6 6.658 -0.492 -2.853 1.00 2.41 C ATOM 0 H LEU A 6 6.689 -2.625 1.629 1.00 0.82 H new ATOM 0 HA LEU A 6 8.545 -1.458 -0.383 1.00 0.86 H new ATOM 0 HB2 LEU A 6 7.147 -3.500 -1.173 1.00 1.03 H new ATOM 0 HB3 LEU A 6 5.790 -2.394 -1.086 1.00 1.03 H new ATOM 0 HG LEU A 6 8.328 -1.786 -2.620 1.00 1.14 H new ATOM 0 HD11 LEU A 6 6.998 -2.450 -4.660 1.00 2.33 H new ATOM 0 HD12 LEU A 6 7.204 -3.819 -3.541 1.00 2.33 H new ATOM 0 HD13 LEU A 6 5.656 -2.942 -3.598 1.00 2.33 H new ATOM 0 HD21 LEU A 6 6.956 -0.151 -3.844 1.00 2.41 H new ATOM 0 HD22 LEU A 6 5.570 -0.539 -2.797 1.00 2.41 H new ATOM 0 HD23 LEU A 6 7.030 0.205 -2.102 1.00 2.41 H new ATOM 81 N GLU A 7 7.569 0.688 0.333 1.00 0.64 N ATOM 82 CA GLU A 7 7.066 2.029 0.565 1.00 0.66 C ATOM 83 C GLU A 7 6.615 2.622 -0.761 1.00 0.71 C ATOM 84 O GLU A 7 7.382 3.341 -1.408 1.00 1.39 O ATOM 85 CB GLU A 7 8.175 2.889 1.163 1.00 0.78 C ATOM 86 CG GLU A 7 8.552 2.437 2.572 1.00 0.77 C ATOM 87 CD GLU A 7 9.639 3.331 3.150 1.00 1.36 C ATOM 88 OE1 GLU A 7 9.344 4.538 3.297 1.00 1.96 O ATOM 89 OE2 GLU A 7 10.761 2.820 3.350 1.00 2.67 O ATOM 0 H GLU A 7 8.570 0.670 0.136 1.00 0.64 H new ATOM 0 HA GLU A 7 6.225 1.997 1.257 1.00 0.66 H new ATOM 0 HB2 GLU A 7 9.054 2.845 0.521 1.00 0.78 H new ATOM 0 HB3 GLU A 7 7.852 3.930 1.190 1.00 0.78 H new ATOM 0 HG2 GLU A 7 7.672 2.463 3.215 1.00 0.77 H new ATOM 0 HG3 GLU A 7 8.899 1.404 2.547 1.00 0.77 H new ATOM 96 N LEU A 8 5.379 2.326 -1.156 1.00 0.62 N ATOM 97 CA LEU A 8 4.808 2.926 -2.347 1.00 0.65 C ATOM 98 C LEU A 8 4.197 4.277 -1.950 1.00 0.62 C ATOM 99 O LEU A 8 3.521 4.388 -0.924 1.00 0.64 O ATOM 100 CB LEU A 8 3.880 1.954 -3.120 1.00 0.72 C ATOM 101 CG LEU A 8 3.098 0.914 -2.293 1.00 0.83 C ATOM 102 CD1 LEU A 8 1.903 1.540 -1.580 1.00 1.61 C ATOM 103 CD2 LEU A 8 2.573 -0.193 -3.214 1.00 1.65 C ATOM 0 H LEU A 8 4.761 1.677 -0.668 1.00 0.62 H new ATOM 0 HA LEU A 8 5.579 3.131 -3.090 1.00 0.65 H new ATOM 0 HB2 LEU A 8 3.160 2.550 -3.681 1.00 0.72 H new ATOM 0 HB3 LEU A 8 4.486 1.418 -3.850 1.00 0.72 H new ATOM 0 HG LEU A 8 3.785 0.511 -1.549 1.00 0.83 H new ATOM 0 HD11 LEU A 8 1.378 0.774 -1.008 1.00 1.61 H new ATOM 0 HD12 LEU A 8 2.251 2.322 -0.905 1.00 1.61 H new ATOM 0 HD13 LEU A 8 1.225 1.971 -2.316 1.00 1.61 H new ATOM 0 HD21 LEU A 8 2.021 -0.925 -2.625 1.00 1.65 H new ATOM 0 HD22 LEU A 8 1.912 0.241 -3.965 1.00 1.65 H new ATOM 0 HD23 LEU A 8 3.412 -0.683 -3.709 1.00 1.65 H new ATOM 115 N VAL A 9 4.498 5.329 -2.715 1.00 0.66 N ATOM 116 CA VAL A 9 3.744 6.572 -2.642 1.00 0.72 C ATOM 117 C VAL A 9 2.413 6.299 -3.336 1.00 0.79 C ATOM 118 O VAL A 9 2.359 5.425 -4.191 1.00 1.17 O ATOM 119 CB VAL A 9 4.553 7.730 -3.251 1.00 0.89 C ATOM 120 CG1 VAL A 9 3.690 8.881 -3.773 1.00 1.09 C ATOM 121 CG2 VAL A 9 5.470 8.320 -2.173 1.00 0.95 C ATOM 0 H VAL A 9 5.261 5.340 -3.392 1.00 0.66 H new ATOM 0 HA VAL A 9 3.549 6.890 -1.618 1.00 0.72 H new ATOM 0 HB VAL A 9 5.099 7.304 -4.092 1.00 0.89 H new ATOM 0 HG11 VAL A 9 4.332 9.659 -4.187 1.00 1.09 H new ATOM 0 HG12 VAL A 9 3.021 8.511 -4.550 1.00 1.09 H new ATOM 0 HG13 VAL A 9 3.101 9.294 -2.954 1.00 1.09 H new ATOM 0 HG21 VAL A 9 6.047 9.142 -2.596 1.00 0.95 H new ATOM 0 HG22 VAL A 9 4.866 8.690 -1.344 1.00 0.95 H new ATOM 0 HG23 VAL A 9 6.149 7.548 -1.811 1.00 0.95 H new ATOM 131 N VAL A 10 1.347 6.975 -2.905 1.00 0.67 N ATOM 132 CA VAL A 10 -0.049 6.740 -3.264 1.00 0.71 C ATOM 133 C VAL A 10 -0.795 8.070 -3.127 1.00 0.83 C ATOM 134 O VAL A 10 -1.811 8.185 -2.442 1.00 1.65 O ATOM 135 CB VAL A 10 -0.665 5.626 -2.398 1.00 0.75 C ATOM 136 CG1 VAL A 10 -0.339 4.225 -2.909 1.00 1.29 C ATOM 137 CG2 VAL A 10 -0.137 5.703 -0.975 1.00 1.22 C ATOM 0 H VAL A 10 1.444 7.753 -2.252 1.00 0.67 H new ATOM 0 HA VAL A 10 -0.128 6.389 -4.293 1.00 0.71 H new ATOM 0 HB VAL A 10 -1.742 5.787 -2.442 1.00 0.75 H new ATOM 0 HG11 VAL A 10 -0.801 3.483 -2.257 1.00 1.29 H new ATOM 0 HG12 VAL A 10 -0.725 4.108 -3.922 1.00 1.29 H new ATOM 0 HG13 VAL A 10 0.742 4.082 -2.913 1.00 1.29 H new ATOM 0 HG21 VAL A 10 -0.583 4.908 -0.378 1.00 1.22 H new ATOM 0 HG22 VAL A 10 0.947 5.587 -0.982 1.00 1.22 H new ATOM 0 HG23 VAL A 10 -0.395 6.670 -0.543 1.00 1.22 H new ATOM 147 N ARG A 11 -0.283 9.095 -3.809 1.00 0.82 N ATOM 148 CA ARG A 11 -0.975 10.371 -3.924 1.00 0.91 C ATOM 149 C ARG A 11 -2.365 10.142 -4.529 1.00 0.84 C ATOM 150 O ARG A 11 -2.629 9.112 -5.161 1.00 0.96 O ATOM 151 CB ARG A 11 -0.165 11.355 -4.774 1.00 1.40 C ATOM 152 CG ARG A 11 1.229 11.662 -4.200 1.00 2.06 C ATOM 153 CD ARG A 11 2.201 11.762 -5.370 1.00 2.62 C ATOM 154 NE ARG A 11 3.586 12.062 -4.987 1.00 3.77 N ATOM 155 CZ ARG A 11 4.580 12.018 -5.887 1.00 4.55 C ATOM 156 NH1 ARG A 11 4.302 11.705 -7.163 1.00 4.64 N ATOM 157 NH2 ARG A 11 5.831 12.282 -5.507 1.00 5.79 N ATOM 0 H ARG A 11 0.615 9.062 -4.292 1.00 0.82 H new ATOM 0 HA ARG A 11 -1.086 10.808 -2.932 1.00 0.91 H new ATOM 0 HB2 ARG A 11 -0.053 10.948 -5.779 1.00 1.40 H new ATOM 0 HB3 ARG A 11 -0.723 12.286 -4.868 1.00 1.40 H new ATOM 0 HG2 ARG A 11 1.213 12.594 -3.635 1.00 2.06 H new ATOM 0 HG3 ARG A 11 1.540 10.877 -3.511 1.00 2.06 H new ATOM 0 HD2 ARG A 11 2.185 10.821 -5.920 1.00 2.62 H new ATOM 0 HD3 ARG A 11 1.850 12.536 -6.052 1.00 2.62 H new ATOM 0 HE ARG A 11 3.796 12.308 -4.020 1.00 3.77 H new ATOM 0 HH11 ARG A 11 3.342 11.503 -7.441 1.00 4.64 H new ATOM 0 HH12 ARG A 11 5.051 11.669 -7.854 1.00 4.64 H new ATOM 0 HH21 ARG A 11 6.030 12.517 -4.534 1.00 5.79 H new ATOM 0 HH22 ARG A 11 6.589 12.249 -6.189 1.00 5.79 H new ATOM 171 N GLY A 12 -3.267 11.089 -4.269 1.00 0.94 N ATOM 172 CA GLY A 12 -4.702 10.911 -4.426 1.00 1.00 C ATOM 173 C GLY A 12 -5.318 10.820 -3.031 1.00 0.97 C ATOM 174 O GLY A 12 -6.379 11.386 -2.778 1.00 1.24 O ATOM 0 H GLY A 12 -3.010 12.019 -3.937 1.00 0.94 H new ATOM 0 HA2 GLY A 12 -5.132 11.746 -4.979 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -4.914 10.007 -4.997 1.00 1.00 H new ATOM 178 N MET A 13 -4.617 10.157 -2.101 1.00 0.97 N ATOM 179 CA MET A 13 -4.816 10.389 -0.680 1.00 1.25 C ATOM 180 C MET A 13 -4.682 11.890 -0.414 1.00 1.87 C ATOM 181 O MET A 13 -3.880 12.566 -1.056 1.00 2.59 O ATOM 182 CB MET A 13 -3.757 9.617 0.111 1.00 1.41 C ATOM 183 CG MET A 13 -4.106 8.134 0.231 1.00 0.98 C ATOM 184 SD MET A 13 -2.721 7.035 0.580 1.00 1.69 S ATOM 185 CE MET A 13 -1.984 7.840 2.003 1.00 1.21 C ATOM 0 H MET A 13 -3.908 9.456 -2.317 1.00 0.97 H new ATOM 0 HA MET A 13 -5.804 10.047 -0.371 1.00 1.25 H new ATOM 0 HB2 MET A 13 -2.789 9.724 -0.378 1.00 1.41 H new ATOM 0 HB3 MET A 13 -3.661 10.049 1.107 1.00 1.41 H new ATOM 0 HG2 MET A 13 -4.848 8.016 1.021 1.00 0.98 H new ATOM 0 HG3 MET A 13 -4.576 7.813 -0.699 1.00 0.98 H new ATOM 0 HE1 MET A 13 -1.293 7.153 2.492 1.00 1.21 H new ATOM 0 HE2 MET A 13 -1.443 8.729 1.679 1.00 1.21 H new ATOM 0 HE3 MET A 13 -2.767 8.127 2.705 1.00 1.21 H new ATOM 195 N THR A 14 -5.488 12.409 0.512 1.00 2.21 N ATOM 196 CA THR A 14 -5.556 13.835 0.799 1.00 2.72 C ATOM 197 C THR A 14 -6.344 14.030 2.094 1.00 2.68 C ATOM 198 O THR A 14 -5.831 14.582 3.063 1.00 3.72 O ATOM 199 CB THR A 14 -6.130 14.605 -0.413 1.00 3.16 C ATOM 200 OG1 THR A 14 -6.254 15.979 -0.111 1.00 3.93 O ATOM 201 CG2 THR A 14 -7.489 14.097 -0.918 1.00 2.85 C ATOM 0 H THR A 14 -6.115 11.845 1.086 1.00 2.21 H new ATOM 0 HA THR A 14 -4.562 14.254 0.957 1.00 2.72 H new ATOM 0 HB THR A 14 -5.411 14.432 -1.213 1.00 3.16 H new ATOM 0 HG1 THR A 14 -6.617 16.453 -0.888 1.00 3.93 H new ATOM 0 HG21 THR A 14 -7.809 14.699 -1.769 1.00 2.85 H new ATOM 0 HG22 THR A 14 -7.397 13.055 -1.225 1.00 2.85 H new ATOM 0 HG23 THR A 14 -8.227 14.176 -0.119 1.00 2.85 H new ATOM 209 N CYS A 15 -7.573 13.514 2.124 1.00 1.89 N ATOM 210 CA CYS A 15 -8.400 13.459 3.320 1.00 1.90 C ATOM 211 C CYS A 15 -8.064 12.173 4.084 1.00 1.77 C ATOM 212 O CYS A 15 -7.363 11.305 3.557 1.00 2.29 O ATOM 213 CB CYS A 15 -9.872 13.487 2.886 1.00 2.15 C ATOM 214 SG CYS A 15 -10.938 13.894 4.290 1.00 2.80 S ATOM 0 H CYS A 15 -8.026 13.117 1.301 1.00 1.89 H new ATOM 0 HA CYS A 15 -8.214 14.308 3.978 1.00 1.90 H new ATOM 0 HB2 CYS A 15 -10.009 14.221 2.092 1.00 2.15 H new ATOM 0 HB3 CYS A 15 -10.155 12.518 2.476 1.00 2.15 H new ATOM 0 HG CYS A 15 -12.178 13.915 3.901 1.00 2.80 H new ATOM 220 N ALA A 16 -8.587 12.015 5.304 1.00 1.50 N ATOM 221 CA ALA A 16 -8.690 10.709 5.939 1.00 1.26 C ATOM 222 C ALA A 16 -9.675 9.833 5.151 1.00 1.30 C ATOM 223 O ALA A 16 -10.041 10.145 4.019 1.00 2.81 O ATOM 224 CB ALA A 16 -9.129 10.882 7.397 1.00 1.53 C ATOM 0 H ALA A 16 -8.946 12.784 5.870 1.00 1.50 H new ATOM 0 HA ALA A 16 -7.720 10.212 5.937 1.00 1.26 H new ATOM 0 HB1 ALA A 16 -9.206 9.904 7.872 1.00 1.53 H new ATOM 0 HB2 ALA A 16 -8.395 11.487 7.929 1.00 1.53 H new ATOM 0 HB3 ALA A 16 -10.099 11.378 7.428 1.00 1.53 H new ATOM 230 N SER A 17 -10.110 8.717 5.735 1.00 1.01 N ATOM 231 CA SER A 17 -10.900 7.689 5.065 1.00 0.78 C ATOM 232 C SER A 17 -10.019 6.923 4.077 1.00 0.65 C ATOM 233 O SER A 17 -9.823 5.727 4.263 1.00 0.66 O ATOM 234 CB SER A 17 -12.182 8.237 4.422 1.00 0.97 C ATOM 235 OG SER A 17 -12.833 9.120 5.314 1.00 1.80 O ATOM 0 H SER A 17 -9.917 8.499 6.712 1.00 1.01 H new ATOM 0 HA SER A 17 -11.253 6.989 5.822 1.00 0.78 H new ATOM 0 HB2 SER A 17 -11.940 8.757 3.495 1.00 0.97 H new ATOM 0 HB3 SER A 17 -12.848 7.414 4.161 1.00 0.97 H new ATOM 0 HG SER A 17 -13.649 9.466 4.895 1.00 1.80 H new ATOM 241 N CYS A 18 -9.442 7.612 3.081 1.00 0.63 N ATOM 242 CA CYS A 18 -8.466 7.092 2.127 1.00 0.63 C ATOM 243 C CYS A 18 -7.532 6.113 2.824 1.00 0.50 C ATOM 244 O CYS A 18 -7.433 4.966 2.407 1.00 0.43 O ATOM 245 CB CYS A 18 -7.660 8.237 1.496 1.00 0.79 C ATOM 246 SG CYS A 18 -8.709 9.432 0.629 1.00 1.21 S ATOM 0 H CYS A 18 -9.658 8.595 2.916 1.00 0.63 H new ATOM 0 HA CYS A 18 -9.000 6.572 1.332 1.00 0.63 H new ATOM 0 HB2 CYS A 18 -7.096 8.751 2.274 1.00 0.79 H new ATOM 0 HB3 CYS A 18 -6.933 7.823 0.797 1.00 0.79 H new ATOM 0 HG CYS A 18 -7.968 10.372 0.122 1.00 1.21 H new ATOM 252 N VAL A 19 -6.925 6.554 3.931 1.00 0.58 N ATOM 253 CA VAL A 19 -6.101 5.738 4.810 1.00 0.51 C ATOM 254 C VAL A 19 -6.649 4.308 4.921 1.00 0.53 C ATOM 255 O VAL A 19 -6.028 3.367 4.428 1.00 0.58 O ATOM 256 CB VAL A 19 -5.957 6.431 6.179 1.00 0.54 C ATOM 257 CG1 VAL A 19 -5.119 5.587 7.147 1.00 0.67 C ATOM 258 CG2 VAL A 19 -5.273 7.800 6.033 1.00 0.66 C ATOM 0 H VAL A 19 -7.000 7.522 4.244 1.00 0.58 H new ATOM 0 HA VAL A 19 -5.103 5.643 4.381 1.00 0.51 H new ATOM 0 HB VAL A 19 -6.965 6.554 6.574 1.00 0.54 H new ATOM 0 HG11 VAL A 19 -5.037 6.104 8.103 1.00 0.67 H new ATOM 0 HG12 VAL A 19 -5.600 4.621 7.297 1.00 0.67 H new ATOM 0 HG13 VAL A 19 -4.124 5.436 6.730 1.00 0.67 H new ATOM 0 HG21 VAL A 19 -5.183 8.268 7.013 1.00 0.66 H new ATOM 0 HG22 VAL A 19 -4.281 7.667 5.602 1.00 0.66 H new ATOM 0 HG23 VAL A 19 -5.869 8.437 5.380 1.00 0.66 H new ATOM 268 N HIS A 20 -7.833 4.143 5.518 1.00 0.60 N ATOM 269 CA HIS A 20 -8.406 2.829 5.761 1.00 0.71 C ATOM 270 C HIS A 20 -8.977 2.229 4.470 1.00 0.68 C ATOM 271 O HIS A 20 -9.033 1.010 4.339 1.00 0.84 O ATOM 272 CB HIS A 20 -9.381 2.889 6.953 1.00 0.77 C ATOM 273 CG HIS A 20 -10.833 2.596 6.667 1.00 0.72 C ATOM 274 ND1 HIS A 20 -11.623 3.192 5.721 1.00 1.04 N flip ATOM 275 CD2 HIS A 20 -11.627 1.727 7.380 1.00 0.55 C flip ATOM 276 CE1 HIS A 20 -12.908 2.662 5.837 1.00 1.03 C flip ATOM 277 NE2 HIS A 20 -12.861 1.789 6.855 1.00 0.75 N flip ATOM 0 H HIS A 20 -8.414 4.916 5.843 1.00 0.60 H new ATOM 0 HA HIS A 20 -7.628 2.127 6.061 1.00 0.71 H new ATOM 0 HB2 HIS A 20 -9.036 2.183 7.709 1.00 0.77 H new ATOM 0 HB3 HIS A 20 -9.317 3.884 7.393 1.00 0.77 H new ATOM 0 HD2 HIS A 20 -11.315 1.109 8.209 1.00 0.55 H new ATOM 0 HE1 HIS A 20 -13.767 2.905 5.230 1.00 1.03 H new ATOM 0 HE2 HIS A 20 -13.657 1.245 7.186 1.00 0.75 H new ATOM 285 N LYS A 21 -9.374 3.069 3.507 1.00 0.59 N ATOM 286 CA LYS A 21 -9.799 2.647 2.174 1.00 0.75 C ATOM 287 C LYS A 21 -8.731 1.739 1.584 1.00 0.81 C ATOM 288 O LYS A 21 -9.042 0.711 0.985 1.00 1.15 O ATOM 289 CB LYS A 21 -10.040 3.879 1.281 1.00 0.79 C ATOM 290 CG LYS A 21 -11.218 3.767 0.302 1.00 1.13 C ATOM 291 CD LYS A 21 -10.836 3.111 -1.033 1.00 1.71 C ATOM 292 CE LYS A 21 -12.017 3.215 -2.016 1.00 2.03 C ATOM 293 NZ LYS A 21 -11.680 2.747 -3.377 1.00 3.16 N ATOM 0 H LYS A 21 -9.408 4.080 3.638 1.00 0.59 H new ATOM 0 HA LYS A 21 -10.737 2.096 2.236 1.00 0.75 H new ATOM 0 HB2 LYS A 21 -10.205 4.744 1.923 1.00 0.79 H new ATOM 0 HB3 LYS A 21 -9.133 4.075 0.709 1.00 0.79 H new ATOM 0 HG2 LYS A 21 -12.016 3.189 0.768 1.00 1.13 H new ATOM 0 HG3 LYS A 21 -11.617 4.763 0.109 1.00 1.13 H new ATOM 0 HD2 LYS A 21 -9.957 3.601 -1.452 1.00 1.71 H new ATOM 0 HD3 LYS A 21 -10.573 2.065 -0.874 1.00 1.71 H new ATOM 0 HE2 LYS A 21 -12.853 2.630 -1.633 1.00 2.03 H new ATOM 0 HE3 LYS A 21 -12.350 4.252 -2.067 1.00 2.03 H new ATOM 0 HZ1 LYS A 21 -12.530 2.777 -3.975 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 -10.948 3.363 -3.785 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 -11.324 1.771 -3.330 1.00 3.16 H new ATOM 307 N ILE A 22 -7.472 2.127 1.793 1.00 0.51 N ATOM 308 CA ILE A 22 -6.336 1.307 1.444 1.00 0.42 C ATOM 309 C ILE A 22 -6.204 0.240 2.518 1.00 0.49 C ATOM 310 O ILE A 22 -6.486 -0.922 2.252 1.00 0.72 O ATOM 311 CB ILE A 22 -5.067 2.158 1.266 1.00 0.44 C ATOM 312 CG1 ILE A 22 -5.363 3.333 0.341 1.00 0.31 C ATOM 313 CG2 ILE A 22 -3.965 1.297 0.665 1.00 0.67 C ATOM 314 CD1 ILE A 22 -4.167 4.158 -0.111 1.00 0.74 C ATOM 0 H ILE A 22 -7.222 3.023 2.211 1.00 0.51 H new ATOM 0 HA ILE A 22 -6.481 0.821 0.479 1.00 0.42 H new ATOM 0 HB ILE A 22 -4.744 2.539 2.235 1.00 0.44 H new ATOM 0 HG12 ILE A 22 -5.869 2.950 -0.546 1.00 0.31 H new ATOM 0 HG13 ILE A 22 -6.064 3.997 0.846 1.00 0.31 H new ATOM 0 HG21 ILE A 22 -3.064 1.897 0.537 1.00 0.67 H new ATOM 0 HG22 ILE A 22 -3.753 0.460 1.331 1.00 0.67 H new ATOM 0 HG23 ILE A 22 -4.288 0.917 -0.304 1.00 0.67 H new ATOM 0 HD11 ILE A 22 -4.506 4.963 -0.764 1.00 0.74 H new ATOM 0 HD12 ILE A 22 -3.668 4.583 0.760 1.00 0.74 H new ATOM 0 HD13 ILE A 22 -3.469 3.520 -0.654 1.00 0.74 H new ATOM 326 N GLU A 23 -5.802 0.635 3.727 1.00 0.43 N ATOM 327 CA GLU A 23 -5.354 -0.259 4.786 1.00 0.46 C ATOM 328 C GLU A 23 -6.300 -1.446 4.978 1.00 0.37 C ATOM 329 O GLU A 23 -5.898 -2.605 4.875 1.00 0.42 O ATOM 330 CB GLU A 23 -5.187 0.555 6.081 1.00 0.57 C ATOM 331 CG GLU A 23 -3.862 0.260 6.779 1.00 0.92 C ATOM 332 CD GLU A 23 -3.486 1.380 7.731 1.00 1.92 C ATOM 333 OE1 GLU A 23 -4.333 1.707 8.589 1.00 2.60 O ATOM 334 OE2 GLU A 23 -2.372 1.912 7.536 1.00 3.29 O ATOM 0 H GLU A 23 -5.780 1.617 4.001 1.00 0.43 H new ATOM 0 HA GLU A 23 -4.394 -0.690 4.504 1.00 0.46 H new ATOM 0 HB2 GLU A 23 -5.245 1.619 5.850 1.00 0.57 H new ATOM 0 HB3 GLU A 23 -6.011 0.330 6.758 1.00 0.57 H new ATOM 0 HG2 GLU A 23 -3.938 -0.678 7.328 1.00 0.92 H new ATOM 0 HG3 GLU A 23 -3.076 0.131 6.035 1.00 0.92 H new ATOM 341 N SER A 24 -7.576 -1.143 5.221 1.00 0.36 N ATOM 342 CA SER A 24 -8.582 -2.152 5.515 1.00 0.46 C ATOM 343 C SER A 24 -8.651 -3.142 4.354 1.00 0.50 C ATOM 344 O SER A 24 -8.568 -4.357 4.537 1.00 0.66 O ATOM 345 CB SER A 24 -9.939 -1.481 5.774 1.00 0.55 C ATOM 346 OG SER A 24 -10.872 -2.421 6.265 1.00 1.30 O ATOM 0 H SER A 24 -7.937 -0.189 5.218 1.00 0.36 H new ATOM 0 HA SER A 24 -8.312 -2.700 6.418 1.00 0.46 H new ATOM 0 HB2 SER A 24 -9.819 -0.670 6.493 1.00 0.55 H new ATOM 0 HB3 SER A 24 -10.313 -1.037 4.852 1.00 0.55 H new ATOM 0 HG SER A 24 -11.730 -1.976 6.426 1.00 1.30 H new ATOM 352 N SER A 25 -8.749 -2.616 3.133 1.00 0.52 N ATOM 353 CA SER A 25 -8.824 -3.449 1.952 1.00 0.66 C ATOM 354 C SER A 25 -7.539 -4.276 1.807 1.00 0.64 C ATOM 355 O SER A 25 -7.590 -5.490 1.641 1.00 1.07 O ATOM 356 CB SER A 25 -9.145 -2.577 0.732 1.00 0.81 C ATOM 357 OG SER A 25 -9.489 -3.396 -0.377 1.00 1.03 O ATOM 0 H SER A 25 -8.778 -1.614 2.945 1.00 0.52 H new ATOM 0 HA SER A 25 -9.635 -4.172 2.040 1.00 0.66 H new ATOM 0 HB2 SER A 25 -9.968 -1.902 0.965 1.00 0.81 H new ATOM 0 HB3 SER A 25 -8.284 -1.956 0.482 1.00 0.81 H new ATOM 0 HG SER A 25 -10.121 -2.918 -0.953 1.00 1.03 H new ATOM 363 N LEU A 26 -6.368 -3.653 1.884 1.00 0.51 N ATOM 364 CA LEU A 26 -5.116 -4.360 1.679 1.00 0.62 C ATOM 365 C LEU A 26 -4.925 -5.469 2.706 1.00 0.54 C ATOM 366 O LEU A 26 -4.445 -6.538 2.339 1.00 0.60 O ATOM 367 CB LEU A 26 -3.926 -3.403 1.642 1.00 0.85 C ATOM 368 CG LEU A 26 -3.622 -2.871 0.237 1.00 1.11 C ATOM 369 CD1 LEU A 26 -3.047 -3.955 -0.684 1.00 2.16 C ATOM 370 CD2 LEU A 26 -4.831 -2.210 -0.433 1.00 2.52 C ATOM 0 H LEU A 26 -6.263 -2.659 2.087 1.00 0.51 H new ATOM 0 HA LEU A 26 -5.168 -4.837 0.700 1.00 0.62 H new ATOM 0 HB2 LEU A 26 -4.124 -2.562 2.307 1.00 0.85 H new ATOM 0 HB3 LEU A 26 -3.044 -3.915 2.028 1.00 0.85 H new ATOM 0 HG LEU A 26 -2.864 -2.102 0.387 1.00 1.11 H new ATOM 0 HD11 LEU A 26 -2.848 -3.529 -1.667 1.00 2.16 H new ATOM 0 HD12 LEU A 26 -2.119 -4.338 -0.260 1.00 2.16 H new ATOM 0 HD13 LEU A 26 -3.765 -4.769 -0.780 1.00 2.16 H new ATOM 0 HD21 LEU A 26 -4.549 -1.855 -1.424 1.00 2.52 H new ATOM 0 HD22 LEU A 26 -5.639 -2.936 -0.524 1.00 2.52 H new ATOM 0 HD23 LEU A 26 -5.167 -1.368 0.172 1.00 2.52 H new ATOM 382 N THR A 27 -5.340 -5.271 3.961 1.00 0.52 N ATOM 383 CA THR A 27 -5.233 -6.343 4.947 1.00 0.62 C ATOM 384 C THR A 27 -5.974 -7.631 4.539 1.00 0.82 C ATOM 385 O THR A 27 -5.676 -8.695 5.078 1.00 1.87 O ATOM 386 CB THR A 27 -5.594 -5.870 6.364 1.00 0.66 C ATOM 387 OG1 THR A 27 -6.886 -5.305 6.440 1.00 0.80 O ATOM 388 CG2 THR A 27 -4.557 -4.879 6.905 1.00 0.71 C ATOM 0 H THR A 27 -5.743 -4.401 4.309 1.00 0.52 H new ATOM 0 HA THR A 27 -4.179 -6.618 4.971 1.00 0.62 H new ATOM 0 HB THR A 27 -5.590 -6.764 6.988 1.00 0.66 H new ATOM 0 HG1 THR A 27 -7.201 -5.086 5.538 1.00 0.80 H new ATOM 0 HG21 THR A 27 -4.843 -4.565 7.909 1.00 0.71 H new ATOM 0 HG22 THR A 27 -3.579 -5.359 6.940 1.00 0.71 H new ATOM 0 HG23 THR A 27 -4.511 -4.008 6.252 1.00 0.71 H new ATOM 396 N LYS A 28 -6.900 -7.576 3.569 1.00 1.03 N ATOM 397 CA LYS A 28 -7.515 -8.779 3.013 1.00 0.96 C ATOM 398 C LYS A 28 -6.477 -9.683 2.333 1.00 0.77 C ATOM 399 O LYS A 28 -6.636 -10.905 2.315 1.00 0.95 O ATOM 400 CB LYS A 28 -8.588 -8.399 1.983 1.00 1.26 C ATOM 401 CG LYS A 28 -9.711 -7.542 2.589 1.00 1.51 C ATOM 402 CD LYS A 28 -10.852 -7.264 1.596 1.00 2.22 C ATOM 403 CE LYS A 28 -10.342 -6.670 0.270 1.00 2.23 C ATOM 404 NZ LYS A 28 -11.392 -5.969 -0.494 1.00 3.76 N ATOM 0 H LYS A 28 -7.236 -6.706 3.156 1.00 1.03 H new ATOM 0 HA LYS A 28 -7.965 -9.324 3.842 1.00 0.96 H new ATOM 0 HB2 LYS A 28 -8.122 -7.853 1.163 1.00 1.26 H new ATOM 0 HB3 LYS A 28 -9.017 -9.307 1.559 1.00 1.26 H new ATOM 0 HG2 LYS A 28 -10.114 -8.048 3.466 1.00 1.51 H new ATOM 0 HG3 LYS A 28 -9.294 -6.595 2.931 1.00 1.51 H new ATOM 0 HD2 LYS A 28 -11.388 -8.191 1.394 1.00 2.22 H new ATOM 0 HD3 LYS A 28 -11.565 -6.576 2.049 1.00 2.22 H new ATOM 0 HE2 LYS A 28 -9.529 -5.975 0.479 1.00 2.23 H new ATOM 0 HE3 LYS A 28 -9.928 -7.470 -0.344 1.00 2.23 H new ATOM 0 HZ1 LYS A 28 -11.542 -6.453 -1.402 1.00 3.76 H new ATOM 0 HZ2 LYS A 28 -12.278 -5.972 0.051 1.00 3.76 H new ATOM 0 HZ3 LYS A 28 -11.097 -4.987 -0.669 1.00 3.76 H new ATOM 418 N HIS A 29 -5.448 -9.093 1.716 1.00 0.65 N ATOM 419 CA HIS A 29 -4.474 -9.823 0.920 1.00 0.81 C ATOM 420 C HIS A 29 -3.534 -10.629 1.815 1.00 1.02 C ATOM 421 O HIS A 29 -2.380 -10.255 1.987 1.00 1.96 O ATOM 422 CB HIS A 29 -3.684 -8.852 0.032 1.00 0.92 C ATOM 423 CG HIS A 29 -4.448 -8.339 -1.157 1.00 0.80 C ATOM 424 ND1 HIS A 29 -4.288 -8.754 -2.458 1.00 1.48 N ATOM 425 CD2 HIS A 29 -5.380 -7.337 -1.155 1.00 0.90 C ATOM 426 CE1 HIS A 29 -5.120 -8.031 -3.218 1.00 2.03 C ATOM 427 NE2 HIS A 29 -5.797 -7.133 -2.476 1.00 1.75 N ATOM 0 H HIS A 29 -5.272 -8.089 1.759 1.00 0.65 H new ATOM 0 HA HIS A 29 -5.006 -10.525 0.279 1.00 0.81 H new ATOM 0 HB2 HIS A 29 -3.364 -8.004 0.637 1.00 0.92 H new ATOM 0 HB3 HIS A 29 -2.781 -9.352 -0.319 1.00 0.92 H new ATOM 0 HD1 HIS A 29 -3.651 -9.481 -2.785 1.00 1.48 H new ATOM 0 HD2 HIS A 29 -5.732 -6.799 -0.287 1.00 0.90 H new ATOM 0 HE1 HIS A 29 -5.234 -8.152 -4.285 1.00 2.03 H new ATOM 435 N ARG A 30 -4.011 -11.754 2.350 1.00 1.24 N ATOM 436 CA ARG A 30 -3.210 -12.756 3.051 1.00 1.37 C ATOM 437 C ARG A 30 -1.886 -13.008 2.310 1.00 1.20 C ATOM 438 O ARG A 30 -1.875 -13.737 1.321 1.00 2.54 O ATOM 439 CB ARG A 30 -4.004 -14.068 3.105 1.00 2.11 C ATOM 440 CG ARG A 30 -5.288 -13.981 3.940 1.00 3.29 C ATOM 441 CD ARG A 30 -6.125 -15.262 3.818 1.00 3.92 C ATOM 442 NE ARG A 30 -6.663 -15.442 2.454 1.00 4.14 N ATOM 443 CZ ARG A 30 -6.135 -16.194 1.471 1.00 4.35 C ATOM 444 NH1 ARG A 30 -4.993 -16.865 1.665 1.00 4.17 N ATOM 445 NH2 ARG A 30 -6.748 -16.262 0.283 1.00 5.64 N ATOM 0 H ARG A 30 -5.000 -12.000 2.305 1.00 1.24 H new ATOM 0 HA ARG A 30 -2.988 -12.395 4.055 1.00 1.37 H new ATOM 0 HB2 ARG A 30 -4.262 -14.368 2.089 1.00 2.11 H new ATOM 0 HB3 ARG A 30 -3.367 -14.851 3.516 1.00 2.11 H new ATOM 0 HG2 ARG A 30 -5.033 -13.810 4.986 1.00 3.29 H new ATOM 0 HG3 ARG A 30 -5.879 -13.126 3.612 1.00 3.29 H new ATOM 0 HD2 ARG A 30 -5.511 -16.123 4.082 1.00 3.92 H new ATOM 0 HD3 ARG A 30 -6.949 -15.227 4.531 1.00 3.92 H new ATOM 0 HE ARG A 30 -7.525 -14.944 2.234 1.00 4.14 H new ATOM 0 HH11 ARG A 30 -4.515 -16.809 2.564 1.00 4.17 H new ATOM 0 HH12 ARG A 30 -4.601 -17.432 0.914 1.00 4.17 H new ATOM 0 HH21 ARG A 30 -7.613 -15.745 0.125 1.00 5.64 H new ATOM 0 HH22 ARG A 30 -6.350 -16.831 -0.464 1.00 5.64 H new ATOM 459 N GLY A 31 -0.785 -12.406 2.769 1.00 0.74 N ATOM 460 CA GLY A 31 0.469 -12.367 2.025 1.00 0.81 C ATOM 461 C GLY A 31 1.153 -11.034 2.304 1.00 1.00 C ATOM 462 O GLY A 31 2.337 -10.984 2.627 1.00 1.34 O ATOM 0 H GLY A 31 -0.742 -11.931 3.671 1.00 0.74 H new ATOM 0 HA2 GLY A 31 1.113 -13.194 2.324 1.00 0.81 H new ATOM 0 HA3 GLY A 31 0.280 -12.480 0.957 1.00 0.81 H new ATOM 466 N ILE A 32 0.365 -9.958 2.263 1.00 1.14 N ATOM 467 CA ILE A 32 0.525 -8.846 3.174 1.00 0.96 C ATOM 468 C ILE A 32 0.516 -9.444 4.591 1.00 1.11 C ATOM 469 O ILE A 32 -0.213 -10.406 4.852 1.00 1.61 O ATOM 470 CB ILE A 32 -0.630 -7.842 2.917 1.00 0.97 C ATOM 471 CG1 ILE A 32 -0.197 -6.395 2.645 1.00 1.21 C ATOM 472 CG2 ILE A 32 -1.662 -7.842 4.047 1.00 1.60 C ATOM 473 CD1 ILE A 32 0.369 -5.743 3.892 1.00 1.68 C ATOM 0 H ILE A 32 -0.397 -9.842 1.595 1.00 1.14 H new ATOM 0 HA ILE A 32 1.455 -8.294 3.038 1.00 0.96 H new ATOM 0 HB ILE A 32 -1.076 -8.217 1.996 1.00 0.97 H new ATOM 0 HG12 ILE A 32 0.552 -6.380 1.853 1.00 1.21 H new ATOM 0 HG13 ILE A 32 -1.051 -5.819 2.287 1.00 1.21 H new ATOM 0 HG21 ILE A 32 -2.450 -7.123 3.820 1.00 1.60 H new ATOM 0 HG22 ILE A 32 -2.096 -8.837 4.144 1.00 1.60 H new ATOM 0 HG23 ILE A 32 -1.177 -7.565 4.983 1.00 1.60 H new ATOM 0 HD11 ILE A 32 0.666 -4.719 3.664 1.00 1.68 H new ATOM 0 HD12 ILE A 32 -0.389 -5.735 4.675 1.00 1.68 H new ATOM 0 HD13 ILE A 32 1.238 -6.305 4.234 1.00 1.68 H new ATOM 485 N LEU A 33 1.307 -8.862 5.490 1.00 0.89 N ATOM 486 CA LEU A 33 1.199 -9.033 6.930 1.00 1.04 C ATOM 487 C LEU A 33 0.578 -7.757 7.500 1.00 1.06 C ATOM 488 O LEU A 33 -0.456 -7.812 8.160 1.00 1.42 O ATOM 489 CB LEU A 33 2.576 -9.258 7.582 1.00 1.15 C ATOM 490 CG LEU A 33 3.308 -10.569 7.255 1.00 1.82 C ATOM 491 CD1 LEU A 33 2.443 -11.806 7.517 1.00 3.31 C ATOM 492 CD2 LEU A 33 3.893 -10.615 5.841 1.00 2.72 C ATOM 0 H LEU A 33 2.067 -8.237 5.222 1.00 0.89 H new ATOM 0 HA LEU A 33 0.587 -9.910 7.141 1.00 1.04 H new ATOM 0 HB2 LEU A 33 3.224 -8.430 7.295 1.00 1.15 H new ATOM 0 HB3 LEU A 33 2.450 -9.204 8.663 1.00 1.15 H new ATOM 0 HG LEU A 33 4.151 -10.589 7.946 1.00 1.82 H new ATOM 0 HD11 LEU A 33 3.008 -12.704 7.269 1.00 3.31 H new ATOM 0 HD12 LEU A 33 2.158 -11.835 8.569 1.00 3.31 H new ATOM 0 HD13 LEU A 33 1.546 -11.760 6.899 1.00 3.31 H new ATOM 0 HD21 LEU A 33 4.394 -11.571 5.685 1.00 2.72 H new ATOM 0 HD22 LEU A 33 3.091 -10.502 5.112 1.00 2.72 H new ATOM 0 HD23 LEU A 33 4.612 -9.805 5.718 1.00 2.72 H new ATOM 504 N TYR A 34 1.226 -6.612 7.255 1.00 0.79 N ATOM 505 CA TYR A 34 0.866 -5.330 7.855 1.00 0.76 C ATOM 506 C TYR A 34 0.907 -4.210 6.814 1.00 0.67 C ATOM 507 O TYR A 34 1.749 -4.222 5.919 1.00 0.79 O ATOM 508 CB TYR A 34 1.825 -5.048 9.018 1.00 0.83 C ATOM 509 CG TYR A 34 1.578 -3.740 9.744 1.00 0.87 C ATOM 510 CD1 TYR A 34 0.415 -3.575 10.518 1.00 1.79 C ATOM 511 CD2 TYR A 34 2.517 -2.695 9.661 1.00 1.84 C ATOM 512 CE1 TYR A 34 0.186 -2.366 11.197 1.00 1.85 C ATOM 513 CE2 TYR A 34 2.297 -1.494 10.359 1.00 1.87 C ATOM 514 CZ TYR A 34 1.113 -1.316 11.094 1.00 1.05 C ATOM 515 OH TYR A 34 0.890 -0.150 11.763 1.00 1.21 O ATOM 0 H TYR A 34 2.026 -6.553 6.625 1.00 0.79 H new ATOM 0 HA TYR A 34 -0.155 -5.374 8.233 1.00 0.76 H new ATOM 0 HB2 TYR A 34 1.753 -5.865 9.736 1.00 0.83 H new ATOM 0 HB3 TYR A 34 2.846 -5.048 8.637 1.00 0.83 H new ATOM 0 HD1 TYR A 34 -0.303 -4.379 10.591 1.00 1.79 H new ATOM 0 HD2 TYR A 34 3.407 -2.815 9.061 1.00 1.84 H new ATOM 0 HE1 TYR A 34 -0.703 -2.244 11.798 1.00 1.85 H new ATOM 0 HE2 TYR A 34 3.038 -0.709 10.330 1.00 1.87 H new ATOM 0 HH TYR A 34 1.625 0.474 11.588 1.00 1.21 H new ATOM 525 N CYS A 35 -0.005 -3.240 6.935 1.00 0.63 N ATOM 526 CA CYS A 35 -0.038 -2.030 6.119 1.00 0.58 C ATOM 527 C CYS A 35 0.224 -0.840 7.031 1.00 0.68 C ATOM 528 O CYS A 35 0.007 -0.934 8.237 1.00 1.01 O ATOM 529 CB CYS A 35 -1.412 -1.825 5.479 1.00 0.58 C ATOM 530 SG CYS A 35 -1.854 -3.162 4.369 1.00 1.97 S ATOM 0 H CYS A 35 -0.758 -3.279 7.622 1.00 0.63 H new ATOM 0 HA CYS A 35 0.710 -2.123 5.332 1.00 0.58 H new ATOM 0 HB2 CYS A 35 -2.166 -1.742 6.262 1.00 0.58 H new ATOM 0 HB3 CYS A 35 -1.417 -0.883 4.930 1.00 0.58 H new ATOM 0 HG CYS A 35 -3.146 -3.308 4.358 1.00 1.97 H new ATOM 536 N SER A 36 0.674 0.272 6.456 1.00 0.60 N ATOM 537 CA SER A 36 0.908 1.511 7.177 1.00 0.88 C ATOM 538 C SER A 36 0.705 2.681 6.218 1.00 0.58 C ATOM 539 O SER A 36 1.691 3.255 5.746 1.00 0.74 O ATOM 540 CB SER A 36 2.340 1.463 7.716 1.00 1.58 C ATOM 541 OG SER A 36 2.744 2.679 8.312 1.00 2.41 O ATOM 0 H SER A 36 0.888 0.334 5.461 1.00 0.60 H new ATOM 0 HA SER A 36 0.217 1.638 8.010 1.00 0.88 H new ATOM 0 HB2 SER A 36 2.420 0.661 8.449 1.00 1.58 H new ATOM 0 HB3 SER A 36 3.022 1.219 6.901 1.00 1.58 H new ATOM 0 HG SER A 36 3.664 2.593 8.640 1.00 2.41 H new ATOM 547 N VAL A 37 -0.550 3.014 5.912 1.00 0.54 N ATOM 548 CA VAL A 37 -0.938 4.115 5.057 1.00 0.49 C ATOM 549 C VAL A 37 -0.915 5.428 5.858 1.00 0.52 C ATOM 550 O VAL A 37 -1.408 5.471 6.982 1.00 0.68 O ATOM 551 CB VAL A 37 -2.342 3.803 4.513 1.00 0.86 C ATOM 552 CG1 VAL A 37 -2.738 4.835 3.456 1.00 1.87 C ATOM 553 CG2 VAL A 37 -2.449 2.395 3.898 1.00 2.40 C ATOM 0 H VAL A 37 -1.351 2.496 6.273 1.00 0.54 H new ATOM 0 HA VAL A 37 -0.246 4.236 4.224 1.00 0.49 H new ATOM 0 HB VAL A 37 -3.019 3.845 5.366 1.00 0.86 H new ATOM 0 HG11 VAL A 37 -3.734 4.604 3.078 1.00 1.87 H new ATOM 0 HG12 VAL A 37 -2.740 5.830 3.902 1.00 1.87 H new ATOM 0 HG13 VAL A 37 -2.022 4.807 2.634 1.00 1.87 H new ATOM 0 HG21 VAL A 37 -3.463 2.234 3.532 1.00 2.40 H new ATOM 0 HG22 VAL A 37 -1.746 2.305 3.070 1.00 2.40 H new ATOM 0 HG23 VAL A 37 -2.214 1.648 4.656 1.00 2.40 H new ATOM 563 N ALA A 38 -0.372 6.513 5.290 1.00 0.57 N ATOM 564 CA ALA A 38 -0.401 7.842 5.890 1.00 0.66 C ATOM 565 C ALA A 38 -0.605 8.924 4.834 1.00 0.58 C ATOM 566 O ALA A 38 0.100 8.970 3.822 1.00 0.51 O ATOM 567 CB ALA A 38 0.879 8.131 6.661 1.00 0.82 C ATOM 0 H ALA A 38 0.105 6.486 4.389 1.00 0.57 H new ATOM 0 HA ALA A 38 -1.243 7.856 6.582 1.00 0.66 H new ATOM 0 HB1 ALA A 38 0.825 9.129 7.095 1.00 0.82 H new ATOM 0 HB2 ALA A 38 0.999 7.395 7.456 1.00 0.82 H new ATOM 0 HB3 ALA A 38 1.732 8.076 5.984 1.00 0.82 H new ATOM 573 N LEU A 39 -1.571 9.806 5.104 1.00 0.66 N ATOM 574 CA LEU A 39 -2.051 10.809 4.162 1.00 0.69 C ATOM 575 C LEU A 39 -0.999 11.886 3.915 1.00 0.70 C ATOM 576 O LEU A 39 -0.645 12.142 2.769 1.00 0.83 O ATOM 577 CB LEU A 39 -3.439 11.342 4.565 1.00 0.91 C ATOM 578 CG LEU A 39 -3.506 12.116 5.895 1.00 0.99 C ATOM 579 CD1 LEU A 39 -3.449 13.633 5.667 1.00 1.42 C ATOM 580 CD2 LEU A 39 -4.822 11.797 6.613 1.00 1.56 C ATOM 0 H LEU A 39 -2.049 9.840 6.005 1.00 0.66 H new ATOM 0 HA LEU A 39 -2.204 10.336 3.192 1.00 0.69 H new ATOM 0 HB2 LEU A 39 -3.801 11.994 3.770 1.00 0.91 H new ATOM 0 HB3 LEU A 39 -4.127 10.499 4.623 1.00 0.91 H new ATOM 0 HG LEU A 39 -2.648 11.810 6.494 1.00 0.99 H new ATOM 0 HD11 LEU A 39 -3.499 14.147 6.627 1.00 1.42 H new ATOM 0 HD12 LEU A 39 -2.516 13.891 5.165 1.00 1.42 H new ATOM 0 HD13 LEU A 39 -4.291 13.940 5.047 1.00 1.42 H new ATOM 0 HD21 LEU A 39 -4.866 12.346 7.553 1.00 1.56 H new ATOM 0 HD22 LEU A 39 -5.661 12.090 5.982 1.00 1.56 H new ATOM 0 HD23 LEU A 39 -4.876 10.727 6.815 1.00 1.56 H new ATOM 592 N ALA A 40 -0.451 12.480 4.979 1.00 0.73 N ATOM 593 CA ALA A 40 0.542 13.542 4.861 1.00 0.91 C ATOM 594 C ALA A 40 1.759 13.047 4.081 1.00 0.93 C ATOM 595 O ALA A 40 2.254 13.711 3.172 1.00 1.19 O ATOM 596 CB ALA A 40 0.941 14.030 6.256 1.00 1.05 C ATOM 0 H ALA A 40 -0.685 12.237 5.942 1.00 0.73 H new ATOM 0 HA ALA A 40 0.112 14.379 4.311 1.00 0.91 H new ATOM 0 HB1 ALA A 40 1.683 14.823 6.166 1.00 1.05 H new ATOM 0 HB2 ALA A 40 0.061 14.413 6.773 1.00 1.05 H new ATOM 0 HB3 ALA A 40 1.363 13.201 6.824 1.00 1.05 H new ATOM 602 N THR A 41 2.223 11.842 4.411 1.00 0.77 N ATOM 603 CA THR A 41 3.349 11.213 3.759 1.00 0.83 C ATOM 604 C THR A 41 2.993 10.804 2.326 1.00 0.71 C ATOM 605 O THR A 41 3.881 10.452 1.561 1.00 0.78 O ATOM 606 CB THR A 41 3.745 9.997 4.606 1.00 1.04 C ATOM 607 OG1 THR A 41 3.475 10.254 5.973 1.00 1.99 O ATOM 608 CG2 THR A 41 5.227 9.653 4.447 1.00 1.64 C ATOM 0 H THR A 41 1.813 11.274 5.153 1.00 0.77 H new ATOM 0 HA THR A 41 4.186 11.907 3.683 1.00 0.83 H new ATOM 0 HB THR A 41 3.156 9.149 4.257 1.00 1.04 H new ATOM 0 HG1 THR A 41 3.728 9.474 6.509 1.00 1.99 H new ATOM 0 HG21 THR A 41 5.467 8.786 5.063 1.00 1.64 H new ATOM 0 HG22 THR A 41 5.438 9.425 3.402 1.00 1.64 H new ATOM 0 HG23 THR A 41 5.833 10.502 4.763 1.00 1.64 H new ATOM 616 N ASN A 42 1.698 10.808 1.974 1.00 0.65 N ATOM 617 CA ASN A 42 1.182 10.324 0.701 1.00 0.68 C ATOM 618 C ASN A 42 1.680 8.903 0.455 1.00 0.63 C ATOM 619 O ASN A 42 1.950 8.539 -0.685 1.00 0.75 O ATOM 620 CB ASN A 42 1.596 11.235 -0.466 1.00 0.89 C ATOM 621 CG ASN A 42 1.000 12.633 -0.424 1.00 1.41 C ATOM 622 OD1 ASN A 42 0.155 12.971 -1.248 1.00 2.05 O ATOM 623 ND2 ASN A 42 1.452 13.485 0.488 1.00 2.68 N ATOM 0 H ASN A 42 0.966 11.160 2.591 1.00 0.65 H new ATOM 0 HA ASN A 42 0.093 10.331 0.754 1.00 0.68 H new ATOM 0 HB2 ASN A 42 2.683 11.318 -0.476 1.00 0.89 H new ATOM 0 HB3 ASN A 42 1.304 10.759 -1.402 1.00 0.89 H new ATOM 0 HD21 ASN A 42 1.097 14.441 0.513 1.00 2.68 H new ATOM 0 HD22 ASN A 42 2.154 13.184 1.164 1.00 2.68 H new ATOM 630 N LYS A 43 1.841 8.112 1.519 1.00 0.58 N ATOM 631 CA LYS A 43 2.615 6.882 1.464 1.00 0.59 C ATOM 632 C LYS A 43 1.797 5.739 2.029 1.00 0.52 C ATOM 633 O LYS A 43 1.003 5.953 2.941 1.00 0.58 O ATOM 634 CB LYS A 43 3.944 7.053 2.221 1.00 0.73 C ATOM 635 CG LYS A 43 4.855 5.820 2.107 1.00 1.18 C ATOM 636 CD LYS A 43 6.191 5.992 2.841 1.00 0.91 C ATOM 637 CE LYS A 43 7.104 7.041 2.178 1.00 1.04 C ATOM 638 NZ LYS A 43 8.490 6.552 2.052 1.00 1.56 N ATOM 0 H LYS A 43 1.439 8.310 2.435 1.00 0.58 H new ATOM 0 HA LYS A 43 2.855 6.649 0.426 1.00 0.59 H new ATOM 0 HB2 LYS A 43 4.469 7.925 1.832 1.00 0.73 H new ATOM 0 HB3 LYS A 43 3.736 7.250 3.273 1.00 0.73 H new ATOM 0 HG2 LYS A 43 4.334 4.952 2.511 1.00 1.18 H new ATOM 0 HG3 LYS A 43 5.049 5.614 1.054 1.00 1.18 H new ATOM 0 HD2 LYS A 43 5.999 6.285 3.873 1.00 0.91 H new ATOM 0 HD3 LYS A 43 6.709 5.034 2.873 1.00 0.91 H new ATOM 0 HE2 LYS A 43 6.715 7.291 1.191 1.00 1.04 H new ATOM 0 HE3 LYS A 43 7.093 7.958 2.767 1.00 1.04 H new ATOM 0 HZ1 LYS A 43 9.107 7.088 2.695 1.00 1.56 H new ATOM 0 HZ2 LYS A 43 8.526 5.543 2.300 1.00 1.56 H new ATOM 0 HZ3 LYS A 43 8.816 6.680 1.073 1.00 1.56 H new ATOM 652 N ALA A 44 2.044 4.522 1.545 1.00 0.52 N ATOM 653 CA ALA A 44 1.791 3.336 2.335 1.00 0.60 C ATOM 654 C ALA A 44 3.060 2.500 2.364 1.00 0.54 C ATOM 655 O ALA A 44 3.580 2.144 1.305 1.00 0.58 O ATOM 656 CB ALA A 44 0.584 2.569 1.797 1.00 0.90 C ATOM 0 H ALA A 44 2.417 4.341 0.613 1.00 0.52 H new ATOM 0 HA ALA A 44 1.535 3.607 3.359 1.00 0.60 H new ATOM 0 HB1 ALA A 44 0.415 1.682 2.408 1.00 0.90 H new ATOM 0 HB2 ALA A 44 -0.298 3.208 1.833 1.00 0.90 H new ATOM 0 HB3 ALA A 44 0.773 2.269 0.766 1.00 0.90 H new ATOM 662 N HIS A 45 3.571 2.199 3.566 1.00 0.72 N ATOM 663 CA HIS A 45 4.477 1.074 3.678 1.00 0.74 C ATOM 664 C HIS A 45 3.569 -0.140 3.728 1.00 0.64 C ATOM 665 O HIS A 45 2.610 -0.161 4.504 1.00 0.70 O ATOM 666 CB HIS A 45 5.491 1.211 4.833 1.00 0.96 C ATOM 667 CG HIS A 45 5.298 0.380 6.082 1.00 1.01 C ATOM 668 ND1 HIS A 45 5.481 0.837 7.370 1.00 1.22 N ATOM 669 CD2 HIS A 45 5.108 -0.978 6.158 1.00 1.06 C ATOM 670 CE1 HIS A 45 5.367 -0.215 8.198 1.00 1.34 C ATOM 671 NE2 HIS A 45 5.139 -1.342 7.506 1.00 1.23 N ATOM 0 H HIS A 45 3.377 2.700 4.433 1.00 0.72 H new ATOM 0 HA HIS A 45 5.159 0.996 2.831 1.00 0.74 H new ATOM 0 HB2 HIS A 45 6.478 0.979 4.433 1.00 0.96 H new ATOM 0 HB3 HIS A 45 5.507 2.258 5.134 1.00 0.96 H new ATOM 0 HD1 HIS A 45 5.669 1.801 7.645 1.00 1.22 H new ATOM 0 HD2 HIS A 45 4.961 -1.647 5.323 1.00 1.06 H new ATOM 0 HE1 HIS A 45 5.448 -0.161 9.274 1.00 1.34 H new ATOM 679 N ILE A 46 3.860 -1.125 2.888 1.00 0.62 N ATOM 680 CA ILE A 46 3.253 -2.434 2.967 1.00 0.57 C ATOM 681 C ILE A 46 4.347 -3.421 3.328 1.00 0.69 C ATOM 682 O ILE A 46 5.453 -3.343 2.802 1.00 0.75 O ATOM 683 CB ILE A 46 2.507 -2.732 1.664 1.00 0.62 C ATOM 684 CG1 ILE A 46 1.120 -2.076 1.796 1.00 0.77 C ATOM 685 CG2 ILE A 46 2.466 -4.225 1.324 1.00 1.03 C ATOM 686 CD1 ILE A 46 0.301 -2.087 0.509 1.00 2.05 C ATOM 0 H ILE A 46 4.532 -1.030 2.127 1.00 0.62 H new ATOM 0 HA ILE A 46 2.492 -2.504 3.744 1.00 0.57 H new ATOM 0 HB ILE A 46 3.033 -2.308 0.809 1.00 0.62 H new ATOM 0 HG12 ILE A 46 0.559 -2.591 2.576 1.00 0.77 H new ATOM 0 HG13 ILE A 46 1.248 -1.044 2.124 1.00 0.77 H new ATOM 0 HG21 ILE A 46 1.924 -4.371 0.390 1.00 1.03 H new ATOM 0 HG22 ILE A 46 3.483 -4.602 1.216 1.00 1.03 H new ATOM 0 HG23 ILE A 46 1.962 -4.767 2.124 1.00 1.03 H new ATOM 0 HD11 ILE A 46 -0.661 -1.607 0.686 1.00 2.05 H new ATOM 0 HD12 ILE A 46 0.839 -1.546 -0.269 1.00 2.05 H new ATOM 0 HD13 ILE A 46 0.140 -3.116 0.189 1.00 2.05 H new ATOM 698 N LYS A 47 4.018 -4.277 4.290 1.00 0.74 N ATOM 699 CA LYS A 47 4.870 -5.214 5.002 1.00 0.62 C ATOM 700 C LYS A 47 4.300 -6.597 4.687 1.00 0.52 C ATOM 701 O LYS A 47 3.276 -6.973 5.249 1.00 0.70 O ATOM 702 CB LYS A 47 4.801 -4.879 6.506 1.00 0.84 C ATOM 703 CG LYS A 47 6.130 -4.404 7.093 1.00 1.08 C ATOM 704 CD LYS A 47 7.070 -5.602 7.291 1.00 2.15 C ATOM 705 CE LYS A 47 8.241 -5.261 8.223 1.00 2.76 C ATOM 706 NZ LYS A 47 9.188 -6.389 8.316 1.00 4.26 N ATOM 0 H LYS A 47 3.055 -4.335 4.620 1.00 0.74 H new ATOM 0 HA LYS A 47 5.919 -5.169 4.710 1.00 0.62 H new ATOM 0 HB2 LYS A 47 4.048 -4.106 6.663 1.00 0.84 H new ATOM 0 HB3 LYS A 47 4.469 -5.763 7.051 1.00 0.84 H new ATOM 0 HG2 LYS A 47 6.592 -3.674 6.428 1.00 1.08 H new ATOM 0 HG3 LYS A 47 5.959 -3.903 8.046 1.00 1.08 H new ATOM 0 HD2 LYS A 47 6.509 -6.440 7.705 1.00 2.15 H new ATOM 0 HD3 LYS A 47 7.457 -5.924 6.324 1.00 2.15 H new ATOM 0 HE2 LYS A 47 8.759 -4.376 7.853 1.00 2.76 H new ATOM 0 HE3 LYS A 47 7.862 -5.017 9.215 1.00 2.76 H new ATOM 0 HZ1 LYS A 47 9.971 -6.134 8.952 1.00 4.26 H new ATOM 0 HZ2 LYS A 47 8.696 -7.225 8.691 1.00 4.26 H new ATOM 0 HZ3 LYS A 47 9.566 -6.604 7.371 1.00 4.26 H new ATOM 720 N TYR A 48 4.905 -7.302 3.733 1.00 0.57 N ATOM 721 CA TYR A 48 4.323 -8.383 2.950 1.00 0.52 C ATOM 722 C TYR A 48 5.424 -9.347 2.519 1.00 0.56 C ATOM 723 O TYR A 48 6.574 -8.929 2.428 1.00 0.70 O ATOM 724 CB TYR A 48 3.650 -7.785 1.701 1.00 0.60 C ATOM 725 CG TYR A 48 4.590 -7.287 0.610 1.00 0.67 C ATOM 726 CD1 TYR A 48 5.575 -6.316 0.877 1.00 1.98 C ATOM 727 CD2 TYR A 48 4.509 -7.843 -0.680 1.00 1.67 C ATOM 728 CE1 TYR A 48 6.548 -6.010 -0.088 1.00 2.10 C ATOM 729 CE2 TYR A 48 5.415 -7.452 -1.677 1.00 1.72 C ATOM 730 CZ TYR A 48 6.463 -6.573 -1.370 1.00 1.07 C ATOM 731 OH TYR A 48 7.394 -6.272 -2.319 1.00 1.38 O ATOM 0 H TYR A 48 5.874 -7.120 3.472 1.00 0.57 H new ATOM 0 HA TYR A 48 3.587 -8.920 3.548 1.00 0.52 H new ATOM 0 HB2 TYR A 48 2.993 -8.540 1.270 1.00 0.60 H new ATOM 0 HB3 TYR A 48 3.018 -6.954 2.016 1.00 0.60 H new ATOM 0 HD1 TYR A 48 5.582 -5.805 1.828 1.00 1.98 H new ATOM 0 HD2 TYR A 48 3.746 -8.574 -0.904 1.00 1.67 H new ATOM 0 HE1 TYR A 48 7.361 -5.342 0.156 1.00 2.10 H new ATOM 0 HE2 TYR A 48 5.305 -7.829 -2.683 1.00 1.72 H new ATOM 0 HH TYR A 48 7.183 -6.750 -3.148 1.00 1.38 H new ATOM 741 N ASP A 49 5.107 -10.604 2.206 1.00 0.60 N ATOM 742 CA ASP A 49 6.092 -11.496 1.611 1.00 0.68 C ATOM 743 C ASP A 49 6.150 -11.222 0.099 1.00 0.68 C ATOM 744 O ASP A 49 5.120 -11.279 -0.574 1.00 0.84 O ATOM 745 CB ASP A 49 5.738 -12.943 1.941 1.00 0.87 C ATOM 746 CG ASP A 49 6.651 -13.919 1.213 1.00 2.46 C ATOM 747 OD1 ASP A 49 6.574 -13.963 -0.034 1.00 3.85 O ATOM 748 OD2 ASP A 49 7.437 -14.594 1.908 1.00 3.15 O ATOM 0 H ASP A 49 4.187 -11.020 2.354 1.00 0.60 H new ATOM 0 HA ASP A 49 7.086 -11.316 2.020 1.00 0.68 H new ATOM 0 HB2 ASP A 49 5.817 -13.102 3.016 1.00 0.87 H new ATOM 0 HB3 ASP A 49 4.702 -13.137 1.665 1.00 0.87 H new ATOM 753 N PRO A 50 7.323 -10.884 -0.460 1.00 0.71 N ATOM 754 CA PRO A 50 7.440 -10.477 -1.850 1.00 0.78 C ATOM 755 C PRO A 50 7.455 -11.650 -2.833 1.00 0.93 C ATOM 756 O PRO A 50 7.507 -11.407 -4.038 1.00 1.44 O ATOM 757 CB PRO A 50 8.751 -9.686 -1.913 1.00 0.83 C ATOM 758 CG PRO A 50 9.611 -10.382 -0.859 1.00 0.91 C ATOM 759 CD PRO A 50 8.594 -10.725 0.228 1.00 0.87 C ATOM 0 HA PRO A 50 6.572 -9.891 -2.152 1.00 0.78 H new ATOM 0 HB2 PRO A 50 9.206 -9.733 -2.903 1.00 0.83 H new ATOM 0 HB3 PRO A 50 8.600 -8.632 -1.681 1.00 0.83 H new ATOM 0 HG2 PRO A 50 10.096 -11.274 -1.256 1.00 0.91 H new ATOM 0 HG3 PRO A 50 10.400 -9.730 -0.485 1.00 0.91 H new ATOM 0 HD2 PRO A 50 8.873 -11.640 0.751 1.00 0.87 H new ATOM 0 HD3 PRO A 50 8.538 -9.934 0.976 1.00 0.87 H new ATOM 767 N GLU A 51 7.424 -12.898 -2.358 1.00 0.88 N ATOM 768 CA GLU A 51 7.514 -14.079 -3.198 1.00 1.05 C ATOM 769 C GLU A 51 6.112 -14.652 -3.412 1.00 1.07 C ATOM 770 O GLU A 51 5.717 -14.918 -4.544 1.00 1.75 O ATOM 771 CB GLU A 51 8.440 -15.102 -2.529 1.00 1.22 C ATOM 772 CG GLU A 51 9.863 -14.552 -2.313 1.00 1.89 C ATOM 773 CD GLU A 51 10.338 -14.832 -0.898 1.00 2.25 C ATOM 774 OE1 GLU A 51 10.416 -16.026 -0.530 1.00 2.79 O ATOM 775 OE2 GLU A 51 10.545 -13.873 -0.118 1.00 3.11 O ATOM 0 H GLU A 51 7.334 -13.111 -1.365 1.00 0.88 H new ATOM 0 HA GLU A 51 7.931 -13.825 -4.172 1.00 1.05 H new ATOM 0 HB2 GLU A 51 8.018 -15.397 -1.568 1.00 1.22 H new ATOM 0 HB3 GLU A 51 8.490 -16.000 -3.145 1.00 1.22 H new ATOM 0 HG2 GLU A 51 10.547 -15.008 -3.028 1.00 1.89 H new ATOM 0 HG3 GLU A 51 9.876 -13.478 -2.500 1.00 1.89 H new ATOM 782 N ILE A 52 5.364 -14.862 -2.324 1.00 0.77 N ATOM 783 CA ILE A 52 4.080 -15.552 -2.385 1.00 0.84 C ATOM 784 C ILE A 52 3.023 -14.716 -3.105 1.00 0.87 C ATOM 785 O ILE A 52 2.386 -15.183 -4.047 1.00 1.18 O ATOM 786 CB ILE A 52 3.625 -16.010 -0.986 1.00 0.84 C ATOM 787 CG1 ILE A 52 3.328 -14.865 -0.008 1.00 0.65 C ATOM 788 CG2 ILE A 52 4.645 -17.022 -0.438 1.00 1.14 C ATOM 789 CD1 ILE A 52 3.225 -15.339 1.446 1.00 0.95 C ATOM 0 H ILE A 52 5.632 -14.560 -1.387 1.00 0.77 H new ATOM 0 HA ILE A 52 4.214 -16.454 -2.982 1.00 0.84 H new ATOM 0 HB ILE A 52 2.656 -16.498 -1.094 1.00 0.84 H new ATOM 0 HG12 ILE A 52 4.114 -14.114 -0.086 1.00 0.65 H new ATOM 0 HG13 ILE A 52 2.394 -14.381 -0.295 1.00 0.65 H new ATOM 0 HG21 ILE A 52 4.333 -17.353 0.552 1.00 1.14 H new ATOM 0 HG22 ILE A 52 4.701 -17.881 -1.107 1.00 1.14 H new ATOM 0 HG23 ILE A 52 5.625 -16.550 -0.371 1.00 1.14 H new ATOM 0 HD11 ILE A 52 3.014 -14.487 2.092 1.00 0.95 H new ATOM 0 HD12 ILE A 52 2.421 -16.070 1.534 1.00 0.95 H new ATOM 0 HD13 ILE A 52 4.167 -15.798 1.747 1.00 0.95 H new ATOM 801 N ILE A 53 2.824 -13.486 -2.635 1.00 0.72 N ATOM 802 CA ILE A 53 1.847 -12.550 -3.177 1.00 0.71 C ATOM 803 C ILE A 53 2.500 -11.692 -4.261 1.00 0.67 C ATOM 804 O ILE A 53 1.978 -11.565 -5.367 1.00 0.79 O ATOM 805 CB ILE A 53 1.176 -11.740 -2.046 1.00 0.75 C ATOM 806 CG1 ILE A 53 0.311 -10.618 -2.638 1.00 0.88 C ATOM 807 CG2 ILE A 53 2.169 -11.153 -1.034 1.00 0.83 C ATOM 808 CD1 ILE A 53 -0.706 -10.075 -1.634 1.00 1.10 C ATOM 0 H ILE A 53 3.351 -13.106 -1.849 1.00 0.72 H new ATOM 0 HA ILE A 53 1.035 -13.093 -3.661 1.00 0.71 H new ATOM 0 HB ILE A 53 0.554 -12.446 -1.496 1.00 0.75 H new ATOM 0 HG12 ILE A 53 0.955 -9.805 -2.974 1.00 0.88 H new ATOM 0 HG13 ILE A 53 -0.214 -10.993 -3.516 1.00 0.88 H new ATOM 0 HG21 ILE A 53 1.625 -10.598 -0.270 1.00 0.83 H new ATOM 0 HG22 ILE A 53 2.731 -11.961 -0.565 1.00 0.83 H new ATOM 0 HG23 ILE A 53 2.858 -10.483 -1.547 1.00 0.83 H new ATOM 0 HD11 ILE A 53 -1.292 -9.284 -2.102 1.00 1.10 H new ATOM 0 HD12 ILE A 53 -1.370 -10.880 -1.317 1.00 1.10 H new ATOM 0 HD13 ILE A 53 -0.182 -9.674 -0.766 1.00 1.10 H new ATOM 820 N GLY A 54 3.659 -11.114 -3.946 1.00 0.76 N ATOM 821 CA GLY A 54 4.369 -10.230 -4.849 1.00 0.71 C ATOM 822 C GLY A 54 3.726 -8.840 -4.902 1.00 0.66 C ATOM 823 O GLY A 54 2.540 -8.672 -4.627 1.00 0.75 O ATOM 0 H GLY A 54 4.128 -11.251 -3.051 1.00 0.76 H new ATOM 0 HA2 GLY A 54 5.407 -10.139 -4.528 1.00 0.71 H new ATOM 0 HA3 GLY A 54 4.381 -10.664 -5.849 1.00 0.71 H new ATOM 827 N PRO A 55 4.511 -7.810 -5.244 1.00 0.61 N ATOM 828 CA PRO A 55 4.066 -6.427 -5.174 1.00 0.69 C ATOM 829 C PRO A 55 3.008 -6.088 -6.229 1.00 0.69 C ATOM 830 O PRO A 55 2.227 -5.162 -6.028 1.00 0.67 O ATOM 831 CB PRO A 55 5.338 -5.592 -5.335 1.00 0.76 C ATOM 832 CG PRO A 55 6.285 -6.503 -6.117 1.00 0.67 C ATOM 833 CD PRO A 55 5.916 -7.894 -5.602 1.00 0.59 C ATOM 0 HA PRO A 55 3.564 -6.221 -4.229 1.00 0.69 H new ATOM 0 HB2 PRO A 55 5.141 -4.665 -5.874 1.00 0.76 H new ATOM 0 HB3 PRO A 55 5.759 -5.316 -4.368 1.00 0.76 H new ATOM 0 HG2 PRO A 55 6.133 -6.416 -7.193 1.00 0.67 H new ATOM 0 HG3 PRO A 55 7.330 -6.263 -5.922 1.00 0.67 H new ATOM 0 HD2 PRO A 55 6.082 -8.653 -6.366 1.00 0.59 H new ATOM 0 HD3 PRO A 55 6.525 -8.169 -4.741 1.00 0.59 H new ATOM 841 N ARG A 56 2.976 -6.813 -7.355 1.00 0.76 N ATOM 842 CA ARG A 56 2.035 -6.544 -8.438 1.00 0.82 C ATOM 843 C ARG A 56 0.594 -6.552 -7.930 1.00 0.79 C ATOM 844 O ARG A 56 -0.160 -5.633 -8.236 1.00 0.82 O ATOM 845 CB ARG A 56 2.195 -7.558 -9.583 1.00 0.92 C ATOM 846 CG ARG A 56 3.320 -7.217 -10.571 1.00 1.47 C ATOM 847 CD ARG A 56 4.727 -7.290 -9.969 1.00 2.73 C ATOM 848 NE ARG A 56 5.745 -7.033 -11.000 1.00 3.54 N ATOM 849 CZ ARG A 56 7.073 -7.134 -10.825 1.00 4.98 C ATOM 850 NH1 ARG A 56 7.562 -7.531 -9.645 1.00 5.96 N ATOM 851 NH2 ARG A 56 7.904 -6.838 -11.830 1.00 5.94 N ATOM 0 H ARG A 56 3.601 -7.598 -7.536 1.00 0.76 H new ATOM 0 HA ARG A 56 2.263 -5.550 -8.824 1.00 0.82 H new ATOM 0 HB2 ARG A 56 2.386 -8.543 -9.157 1.00 0.92 H new ATOM 0 HB3 ARG A 56 1.254 -7.624 -10.129 1.00 0.92 H new ATOM 0 HG2 ARG A 56 3.264 -7.900 -11.419 1.00 1.47 H new ATOM 0 HG3 ARG A 56 3.155 -6.212 -10.960 1.00 1.47 H new ATOM 0 HD2 ARG A 56 4.823 -6.560 -9.165 1.00 2.73 H new ATOM 0 HD3 ARG A 56 4.889 -8.273 -9.527 1.00 2.73 H new ATOM 0 HE ARG A 56 5.415 -6.755 -11.924 1.00 3.54 H new ATOM 0 HH11 ARG A 56 6.927 -7.757 -8.880 1.00 5.96 H new ATOM 0 HH12 ARG A 56 8.570 -7.608 -9.511 1.00 5.96 H new ATOM 0 HH21 ARG A 56 7.529 -6.536 -12.729 1.00 5.94 H new ATOM 0 HH22 ARG A 56 8.912 -6.915 -11.697 1.00 5.94 H new ATOM 865 N ASP A 57 0.220 -7.589 -7.176 1.00 0.76 N ATOM 866 CA ASP A 57 -1.133 -7.767 -6.662 1.00 0.76 C ATOM 867 C ASP A 57 -1.559 -6.517 -5.884 1.00 0.71 C ATOM 868 O ASP A 57 -2.501 -5.812 -6.234 1.00 0.63 O ATOM 869 CB ASP A 57 -1.146 -9.026 -5.780 1.00 0.78 C ATOM 870 CG ASP A 57 -2.539 -9.356 -5.264 1.00 1.72 C ATOM 871 OD1 ASP A 57 -3.509 -9.057 -5.987 1.00 2.70 O ATOM 872 OD2 ASP A 57 -2.619 -9.906 -4.143 1.00 2.78 O ATOM 0 H ASP A 57 0.859 -8.336 -6.904 1.00 0.76 H new ATOM 0 HA ASP A 57 -1.848 -7.899 -7.474 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -0.763 -9.871 -6.352 1.00 0.78 H new ATOM 0 HB3 ASP A 57 -0.473 -8.882 -4.935 1.00 0.78 H new ATOM 877 N ILE A 58 -0.772 -6.205 -4.857 1.00 0.74 N ATOM 878 CA ILE A 58 -0.892 -5.020 -4.020 1.00 0.67 C ATOM 879 C ILE A 58 -1.026 -3.746 -4.858 1.00 0.67 C ATOM 880 O ILE A 58 -1.987 -2.989 -4.696 1.00 0.65 O ATOM 881 CB ILE A 58 0.325 -5.010 -3.079 1.00 0.64 C ATOM 882 CG1 ILE A 58 0.139 -6.095 -2.005 1.00 0.65 C ATOM 883 CG2 ILE A 58 0.564 -3.640 -2.438 1.00 0.59 C ATOM 884 CD1 ILE A 58 1.471 -6.698 -1.562 1.00 0.91 C ATOM 0 H ILE A 58 0.004 -6.803 -4.574 1.00 0.74 H new ATOM 0 HA ILE A 58 -1.806 -5.049 -3.426 1.00 0.67 H new ATOM 0 HB ILE A 58 1.213 -5.225 -3.673 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -0.370 -5.667 -1.141 1.00 0.65 H new ATOM 0 HG13 ILE A 58 -0.504 -6.884 -2.395 1.00 0.65 H new ATOM 0 HG21 ILE A 58 1.435 -3.691 -1.784 1.00 0.59 H new ATOM 0 HG22 ILE A 58 0.739 -2.899 -3.218 1.00 0.59 H new ATOM 0 HG23 ILE A 58 -0.311 -3.353 -1.855 1.00 0.59 H new ATOM 0 HD11 ILE A 58 1.291 -7.459 -0.803 1.00 0.91 H new ATOM 0 HD12 ILE A 58 1.969 -7.151 -2.420 1.00 0.91 H new ATOM 0 HD13 ILE A 58 2.105 -5.914 -1.147 1.00 0.91 H new ATOM 896 N ILE A 59 -0.060 -3.493 -5.741 1.00 0.73 N ATOM 897 CA ILE A 59 -0.058 -2.304 -6.579 1.00 0.75 C ATOM 898 C ILE A 59 -1.366 -2.226 -7.376 1.00 0.77 C ATOM 899 O ILE A 59 -2.050 -1.204 -7.346 1.00 0.79 O ATOM 900 CB ILE A 59 1.224 -2.297 -7.440 1.00 0.85 C ATOM 901 CG1 ILE A 59 2.430 -1.909 -6.563 1.00 0.96 C ATOM 902 CG2 ILE A 59 1.112 -1.393 -8.676 1.00 1.10 C ATOM 903 CD1 ILE A 59 3.777 -2.190 -7.237 1.00 1.35 C ATOM 0 H ILE A 59 0.740 -4.108 -5.892 1.00 0.73 H new ATOM 0 HA ILE A 59 -0.029 -1.394 -5.980 1.00 0.75 H new ATOM 0 HB ILE A 59 1.369 -3.305 -7.828 1.00 0.85 H new ATOM 0 HG12 ILE A 59 2.367 -0.849 -6.317 1.00 0.96 H new ATOM 0 HG13 ILE A 59 2.379 -2.458 -5.622 1.00 0.96 H new ATOM 0 HG21 ILE A 59 2.044 -1.431 -9.240 1.00 1.10 H new ATOM 0 HG22 ILE A 59 0.292 -1.738 -9.306 1.00 1.10 H new ATOM 0 HG23 ILE A 59 0.920 -0.367 -8.361 1.00 1.10 H new ATOM 0 HD11 ILE A 59 4.586 -1.895 -6.569 1.00 1.35 H new ATOM 0 HD12 ILE A 59 3.858 -3.254 -7.458 1.00 1.35 H new ATOM 0 HD13 ILE A 59 3.846 -1.621 -8.164 1.00 1.35 H new ATOM 915 N HIS A 60 -1.734 -3.309 -8.057 1.00 0.79 N ATOM 916 CA HIS A 60 -2.951 -3.374 -8.850 1.00 0.86 C ATOM 917 C HIS A 60 -4.186 -3.112 -7.980 1.00 0.77 C ATOM 918 O HIS A 60 -5.101 -2.399 -8.394 1.00 0.75 O ATOM 919 CB HIS A 60 -3.009 -4.732 -9.549 1.00 1.04 C ATOM 920 CG HIS A 60 -4.075 -4.864 -10.603 1.00 2.67 C ATOM 921 ND1 HIS A 60 -4.892 -3.873 -11.110 1.00 3.72 N ATOM 922 CD2 HIS A 60 -4.313 -6.003 -11.321 1.00 3.91 C ATOM 923 CE1 HIS A 60 -5.620 -4.422 -12.096 1.00 5.25 C ATOM 924 NE2 HIS A 60 -5.303 -5.718 -12.266 1.00 5.43 N ATOM 0 H HIS A 60 -1.189 -4.171 -8.072 1.00 0.79 H new ATOM 0 HA HIS A 60 -2.944 -2.593 -9.611 1.00 0.86 H new ATOM 0 HB2 HIS A 60 -2.040 -4.928 -10.008 1.00 1.04 H new ATOM 0 HB3 HIS A 60 -3.167 -5.504 -8.796 1.00 1.04 H new ATOM 0 HD1 HIS A 60 -4.935 -2.904 -10.794 1.00 3.72 H new ATOM 0 HD2 HIS A 60 -3.823 -6.955 -11.182 1.00 3.91 H new ATOM 0 HE1 HIS A 60 -6.362 -3.893 -12.676 1.00 5.25 H new ATOM 932 N THR A 61 -4.213 -3.642 -6.754 1.00 0.73 N ATOM 933 CA THR A 61 -5.290 -3.325 -5.831 1.00 0.67 C ATOM 934 C THR A 61 -5.337 -1.819 -5.599 1.00 0.53 C ATOM 935 O THR A 61 -6.377 -1.209 -5.815 1.00 0.52 O ATOM 936 CB THR A 61 -5.174 -4.113 -4.517 1.00 0.73 C ATOM 937 OG1 THR A 61 -5.391 -5.472 -4.798 1.00 1.02 O ATOM 938 CG2 THR A 61 -6.237 -3.686 -3.499 1.00 0.81 C ATOM 0 H THR A 61 -3.509 -4.283 -6.387 1.00 0.73 H new ATOM 0 HA THR A 61 -6.235 -3.634 -6.279 1.00 0.67 H new ATOM 0 HB THR A 61 -4.185 -3.925 -4.099 1.00 0.73 H new ATOM 0 HG1 THR A 61 -4.611 -5.838 -5.264 1.00 1.02 H new ATOM 0 HG21 THR A 61 -6.119 -4.268 -2.585 1.00 0.81 H new ATOM 0 HG22 THR A 61 -6.119 -2.626 -3.273 1.00 0.81 H new ATOM 0 HG23 THR A 61 -7.230 -3.860 -3.915 1.00 0.81 H new ATOM 946 N ILE A 62 -4.247 -1.200 -5.145 1.00 0.49 N ATOM 947 CA ILE A 62 -4.310 0.204 -4.757 1.00 0.50 C ATOM 948 C ILE A 62 -4.646 1.098 -5.950 1.00 0.51 C ATOM 949 O ILE A 62 -5.442 2.026 -5.810 1.00 0.54 O ATOM 950 CB ILE A 62 -3.021 0.668 -4.085 1.00 0.56 C ATOM 951 CG1 ILE A 62 -2.630 -0.221 -2.899 1.00 0.59 C ATOM 952 CG2 ILE A 62 -3.233 2.104 -3.590 1.00 0.78 C ATOM 953 CD1 ILE A 62 -1.125 -0.110 -2.715 1.00 2.29 C ATOM 0 H ILE A 62 -3.332 -1.638 -5.039 1.00 0.49 H new ATOM 0 HA ILE A 62 -5.114 0.293 -4.027 1.00 0.50 H new ATOM 0 HB ILE A 62 -2.212 0.610 -4.814 1.00 0.56 H new ATOM 0 HG12 ILE A 62 -3.150 0.096 -1.995 1.00 0.59 H new ATOM 0 HG13 ILE A 62 -2.917 -1.256 -3.086 1.00 0.59 H new ATOM 0 HG21 ILE A 62 -2.324 2.460 -3.105 1.00 0.78 H new ATOM 0 HG22 ILE A 62 -3.469 2.749 -4.436 1.00 0.78 H new ATOM 0 HG23 ILE A 62 -4.057 2.125 -2.877 1.00 0.78 H new ATOM 0 HD11 ILE A 62 -0.814 -0.733 -1.876 1.00 2.29 H new ATOM 0 HD12 ILE A 62 -0.622 -0.445 -3.622 1.00 2.29 H new ATOM 0 HD13 ILE A 62 -0.858 0.928 -2.515 1.00 2.29 H new ATOM 965 N GLU A 63 -4.055 0.813 -7.113 1.00 0.53 N ATOM 966 CA GLU A 63 -4.438 1.389 -8.384 1.00 0.61 C ATOM 967 C GLU A 63 -5.961 1.344 -8.508 1.00 0.61 C ATOM 968 O GLU A 63 -6.617 2.381 -8.584 1.00 0.65 O ATOM 969 CB GLU A 63 -3.701 0.563 -9.443 1.00 0.74 C ATOM 970 CG GLU A 63 -4.092 0.859 -10.885 1.00 1.11 C ATOM 971 CD GLU A 63 -5.272 0.009 -11.346 1.00 2.46 C ATOM 972 OE1 GLU A 63 -5.131 -1.232 -11.275 1.00 3.33 O ATOM 973 OE2 GLU A 63 -6.292 0.610 -11.739 1.00 3.51 O ATOM 0 H GLU A 63 -3.278 0.157 -7.188 1.00 0.53 H new ATOM 0 HA GLU A 63 -4.166 2.438 -8.499 1.00 0.61 H new ATOM 0 HB2 GLU A 63 -2.630 0.732 -9.332 1.00 0.74 H new ATOM 0 HB3 GLU A 63 -3.879 -0.494 -9.245 1.00 0.74 H new ATOM 0 HG2 GLU A 63 -4.346 1.914 -10.982 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -3.238 0.676 -11.537 1.00 1.11 H new ATOM 980 N SER A 64 -6.517 0.136 -8.425 1.00 0.65 N ATOM 981 CA SER A 64 -7.957 -0.070 -8.505 1.00 0.73 C ATOM 982 C SER A 64 -8.726 0.636 -7.374 1.00 0.68 C ATOM 983 O SER A 64 -9.890 0.985 -7.565 1.00 0.82 O ATOM 984 CB SER A 64 -8.273 -1.566 -8.558 1.00 0.82 C ATOM 985 OG SER A 64 -9.658 -1.779 -8.782 1.00 1.29 O ATOM 0 H SER A 64 -5.981 -0.723 -8.301 1.00 0.65 H new ATOM 0 HA SER A 64 -8.303 0.392 -9.430 1.00 0.73 H new ATOM 0 HB2 SER A 64 -7.694 -2.037 -9.353 1.00 0.82 H new ATOM 0 HB3 SER A 64 -7.974 -2.039 -7.623 1.00 0.82 H new ATOM 0 HG SER A 64 -9.840 -2.741 -8.814 1.00 1.29 H new ATOM 991 N LEU A 65 -8.135 0.807 -6.186 1.00 0.58 N ATOM 992 CA LEU A 65 -8.763 1.532 -5.084 1.00 0.61 C ATOM 993 C LEU A 65 -8.795 3.029 -5.372 1.00 0.62 C ATOM 994 O LEU A 65 -9.769 3.678 -4.981 1.00 0.66 O ATOM 995 CB LEU A 65 -8.096 1.241 -3.736 1.00 0.68 C ATOM 996 CG LEU A 65 -8.267 -0.210 -3.253 1.00 0.91 C ATOM 997 CD1 LEU A 65 -7.459 -0.393 -1.969 1.00 1.89 C ATOM 998 CD2 LEU A 65 -9.729 -0.582 -2.968 1.00 1.57 C ATOM 0 H LEU A 65 -7.207 0.445 -5.965 1.00 0.58 H new ATOM 0 HA LEU A 65 -9.789 1.173 -5.007 1.00 0.61 H new ATOM 0 HB2 LEU A 65 -7.032 1.464 -3.813 1.00 0.68 H new ATOM 0 HB3 LEU A 65 -8.509 1.914 -2.985 1.00 0.68 H new ATOM 0 HG LEU A 65 -7.916 -0.862 -4.053 1.00 0.91 H new ATOM 0 HD11 LEU A 65 -7.569 -1.417 -1.613 1.00 1.89 H new ATOM 0 HD12 LEU A 65 -6.407 -0.190 -2.169 1.00 1.89 H new ATOM 0 HD13 LEU A 65 -7.824 0.297 -1.208 1.00 1.89 H new ATOM 0 HD21 LEU A 65 -9.782 -1.617 -2.631 1.00 1.57 H new ATOM 0 HD22 LEU A 65 -10.126 0.073 -2.192 1.00 1.57 H new ATOM 0 HD23 LEU A 65 -10.318 -0.466 -3.878 1.00 1.57 H new ATOM 1010 N GLY A 66 -7.772 3.557 -6.046 1.00 0.82 N ATOM 1011 CA GLY A 66 -7.858 4.842 -6.734 1.00 0.75 C ATOM 1012 C GLY A 66 -6.858 5.850 -6.189 1.00 0.62 C ATOM 1013 O GLY A 66 -7.223 6.982 -5.876 1.00 0.64 O ATOM 0 H GLY A 66 -6.862 3.104 -6.129 1.00 0.82 H new ATOM 0 HA2 GLY A 66 -7.680 4.695 -7.799 1.00 0.75 H new ATOM 0 HA3 GLY A 66 -8.867 5.241 -6.631 1.00 0.75 H new ATOM 1017 N PHE A 67 -5.592 5.441 -6.112 1.00 0.62 N ATOM 1018 CA PHE A 67 -4.461 6.277 -5.727 1.00 0.59 C ATOM 1019 C PHE A 67 -3.301 5.874 -6.633 1.00 0.64 C ATOM 1020 O PHE A 67 -3.445 4.873 -7.334 1.00 0.80 O ATOM 1021 CB PHE A 67 -4.132 6.028 -4.250 1.00 0.72 C ATOM 1022 CG PHE A 67 -5.331 6.143 -3.327 1.00 0.71 C ATOM 1023 CD1 PHE A 67 -5.916 7.401 -3.132 1.00 1.96 C ATOM 1024 CD2 PHE A 67 -5.972 4.996 -2.825 1.00 1.45 C ATOM 1025 CE1 PHE A 67 -7.068 7.540 -2.344 1.00 2.03 C ATOM 1026 CE2 PHE A 67 -7.127 5.128 -2.034 1.00 1.40 C ATOM 1027 CZ PHE A 67 -7.662 6.402 -1.776 1.00 0.77 C ATOM 0 H PHE A 67 -5.318 4.482 -6.325 1.00 0.62 H new ATOM 0 HA PHE A 67 -4.673 7.340 -5.839 1.00 0.59 H new ATOM 0 HB2 PHE A 67 -3.700 5.033 -4.147 1.00 0.72 H new ATOM 0 HB3 PHE A 67 -3.371 6.740 -3.932 1.00 0.72 H new ATOM 0 HD1 PHE A 67 -5.475 8.273 -3.593 1.00 1.96 H new ATOM 0 HD2 PHE A 67 -5.578 4.015 -3.047 1.00 1.45 H new ATOM 0 HE1 PHE A 67 -7.496 8.517 -2.175 1.00 2.03 H new ATOM 0 HE2 PHE A 67 -7.604 4.250 -1.624 1.00 1.40 H new ATOM 0 HZ PHE A 67 -8.530 6.505 -1.141 1.00 0.77 H new ATOM 1037 N GLU A 68 -2.176 6.604 -6.638 1.00 0.64 N ATOM 1038 CA GLU A 68 -1.042 6.251 -7.498 1.00 0.78 C ATOM 1039 C GLU A 68 0.060 5.452 -6.791 1.00 0.85 C ATOM 1040 O GLU A 68 1.014 6.081 -6.356 1.00 1.06 O ATOM 1041 CB GLU A 68 -0.486 7.480 -8.253 1.00 1.11 C ATOM 1042 CG GLU A 68 -0.106 8.688 -7.374 1.00 2.52 C ATOM 1043 CD GLU A 68 1.235 9.322 -7.762 1.00 3.38 C ATOM 1044 OE1 GLU A 68 2.254 8.604 -7.688 1.00 4.48 O ATOM 1045 OE2 GLU A 68 1.264 10.540 -8.047 1.00 3.77 O ATOM 0 H GLU A 68 -2.030 7.433 -6.062 1.00 0.64 H new ATOM 0 HA GLU A 68 -1.448 5.566 -8.242 1.00 0.78 H new ATOM 0 HB2 GLU A 68 0.396 7.171 -8.814 1.00 1.11 H new ATOM 0 HB3 GLU A 68 -1.230 7.803 -8.981 1.00 1.11 H new ATOM 0 HG2 GLU A 68 -0.890 9.441 -7.445 1.00 2.52 H new ATOM 0 HG3 GLU A 68 -0.062 8.371 -6.332 1.00 2.52 H new ATOM 1052 N PRO A 69 -0.005 4.104 -6.694 1.00 0.81 N ATOM 1053 CA PRO A 69 1.046 3.287 -6.091 1.00 0.98 C ATOM 1054 C PRO A 69 2.357 3.353 -6.881 1.00 1.08 C ATOM 1055 O PRO A 69 2.722 2.420 -7.594 1.00 1.57 O ATOM 1056 CB PRO A 69 0.480 1.870 -5.979 1.00 0.97 C ATOM 1057 CG PRO A 69 -0.536 1.819 -7.107 1.00 0.82 C ATOM 1058 CD PRO A 69 -1.095 3.236 -7.120 1.00 0.74 C ATOM 0 HA PRO A 69 1.316 3.661 -5.103 1.00 0.98 H new ATOM 0 HB2 PRO A 69 1.256 1.114 -6.100 1.00 0.97 H new ATOM 0 HB3 PRO A 69 0.015 1.696 -5.009 1.00 0.97 H new ATOM 0 HG2 PRO A 69 -0.072 1.558 -8.058 1.00 0.82 H new ATOM 0 HG3 PRO A 69 -1.314 1.079 -6.918 1.00 0.82 H new ATOM 0 HD2 PRO A 69 -1.444 3.508 -8.116 1.00 0.74 H new ATOM 0 HD3 PRO A 69 -1.949 3.324 -6.448 1.00 0.74 H new ATOM 1066 N SER A 70 3.079 4.460 -6.730 1.00 0.87 N ATOM 1067 CA SER A 70 4.358 4.714 -7.353 1.00 0.89 C ATOM 1068 C SER A 70 5.463 4.221 -6.420 1.00 0.83 C ATOM 1069 O SER A 70 5.500 4.561 -5.236 1.00 0.94 O ATOM 1070 CB SER A 70 4.461 6.215 -7.657 1.00 1.06 C ATOM 1071 OG SER A 70 4.011 6.987 -6.562 1.00 2.13 O ATOM 0 H SER A 70 2.768 5.233 -6.143 1.00 0.87 H new ATOM 0 HA SER A 70 4.464 4.178 -8.296 1.00 0.89 H new ATOM 0 HB2 SER A 70 5.495 6.473 -7.887 1.00 1.06 H new ATOM 0 HB3 SER A 70 3.869 6.452 -8.541 1.00 1.06 H new ATOM 0 HG SER A 70 3.606 7.816 -6.891 1.00 2.13 H new ATOM 1077 N LEU A 71 6.381 3.405 -6.943 1.00 0.94 N ATOM 1078 CA LEU A 71 7.590 3.075 -6.208 1.00 0.94 C ATOM 1079 C LEU A 71 8.440 4.347 -6.105 1.00 1.20 C ATOM 1080 O LEU A 71 8.771 4.970 -7.111 1.00 1.84 O ATOM 1081 CB LEU A 71 8.339 1.885 -6.827 1.00 1.12 C ATOM 1082 CG LEU A 71 8.673 2.055 -8.317 1.00 2.40 C ATOM 1083 CD1 LEU A 71 10.107 1.593 -8.600 1.00 3.14 C ATOM 1084 CD2 LEU A 71 7.706 1.261 -9.206 1.00 3.61 C ATOM 0 H LEU A 71 6.307 2.968 -7.862 1.00 0.94 H new ATOM 0 HA LEU A 71 7.339 2.738 -5.202 1.00 0.94 H new ATOM 0 HB2 LEU A 71 9.265 1.726 -6.275 1.00 1.12 H new ATOM 0 HB3 LEU A 71 7.736 0.986 -6.702 1.00 1.12 H new ATOM 0 HG LEU A 71 8.573 3.115 -8.552 1.00 2.40 H new ATOM 0 HD11 LEU A 71 10.328 1.720 -9.660 1.00 3.14 H new ATOM 0 HD12 LEU A 71 10.804 2.188 -8.010 1.00 3.14 H new ATOM 0 HD13 LEU A 71 10.210 0.542 -8.331 1.00 3.14 H new ATOM 0 HD21 LEU A 71 7.973 1.405 -10.253 1.00 3.61 H new ATOM 0 HD22 LEU A 71 7.770 0.202 -8.958 1.00 3.61 H new ATOM 0 HD23 LEU A 71 6.687 1.612 -9.040 1.00 3.61 H new ATOM 1096 N VAL A 72 8.734 4.762 -4.876 1.00 1.30 N ATOM 1097 CA VAL A 72 9.428 6.007 -4.574 1.00 1.61 C ATOM 1098 C VAL A 72 10.363 5.769 -3.390 1.00 1.13 C ATOM 1099 O VAL A 72 11.574 5.940 -3.508 1.00 1.61 O ATOM 1100 CB VAL A 72 8.411 7.135 -4.299 1.00 2.81 C ATOM 1101 CG1 VAL A 72 9.105 8.399 -3.778 1.00 3.62 C ATOM 1102 CG2 VAL A 72 7.632 7.513 -5.567 1.00 4.16 C ATOM 0 H VAL A 72 8.489 4.227 -4.043 1.00 1.30 H new ATOM 0 HA VAL A 72 10.026 6.327 -5.427 1.00 1.61 H new ATOM 0 HB VAL A 72 7.725 6.749 -3.545 1.00 2.81 H new ATOM 0 HG11 VAL A 72 8.360 9.174 -3.595 1.00 3.62 H new ATOM 0 HG12 VAL A 72 9.627 8.171 -2.849 1.00 3.62 H new ATOM 0 HG13 VAL A 72 9.821 8.753 -4.520 1.00 3.62 H new ATOM 0 HG21 VAL A 72 6.925 8.310 -5.336 1.00 4.16 H new ATOM 0 HG22 VAL A 72 8.328 7.856 -6.333 1.00 4.16 H new ATOM 0 HG23 VAL A 72 7.089 6.642 -5.934 1.00 4.16 H new ATOM 1112 N LYS A 73 9.795 5.374 -2.245 1.00 1.70 N ATOM 1113 CA LYS A 73 10.495 5.237 -0.976 1.00 2.77 C ATOM 1114 C LYS A 73 11.010 6.590 -0.468 1.00 3.36 C ATOM 1115 O LYS A 73 10.476 7.118 0.506 1.00 4.27 O ATOM 1116 CB LYS A 73 11.586 4.152 -1.045 1.00 3.15 C ATOM 1117 CG LYS A 73 12.042 3.754 0.363 1.00 4.62 C ATOM 1118 CD LYS A 73 13.111 2.658 0.328 1.00 5.39 C ATOM 1119 CE LYS A 73 13.250 2.067 1.740 1.00 6.94 C ATOM 1120 NZ LYS A 73 14.381 1.128 1.855 1.00 7.56 N ATOM 0 H LYS A 73 8.805 5.135 -2.181 1.00 1.70 H new ATOM 0 HA LYS A 73 9.778 4.891 -0.231 1.00 2.77 H new ATOM 0 HB2 LYS A 73 11.203 3.277 -1.570 1.00 3.15 H new ATOM 0 HB3 LYS A 73 12.437 4.520 -1.618 1.00 3.15 H new ATOM 0 HG2 LYS A 73 12.437 4.630 0.878 1.00 4.62 H new ATOM 0 HG3 LYS A 73 11.184 3.406 0.938 1.00 4.62 H new ATOM 0 HD2 LYS A 73 12.832 1.880 -0.383 1.00 5.39 H new ATOM 0 HD3 LYS A 73 14.064 3.069 -0.006 1.00 5.39 H new ATOM 0 HE2 LYS A 73 13.381 2.877 2.457 1.00 6.94 H new ATOM 0 HE3 LYS A 73 12.327 1.552 2.006 1.00 6.94 H new ATOM 0 HZ1 LYS A 73 14.429 0.759 2.826 1.00 7.56 H new ATOM 0 HZ2 LYS A 73 14.246 0.339 1.191 1.00 7.56 H new ATOM 0 HZ3 LYS A 73 15.267 1.623 1.628 1.00 7.56 H new ATOM 1134 N ILE A 74 12.044 7.134 -1.106 1.00 3.48 N ATOM 1135 CA ILE A 74 12.653 8.398 -0.725 1.00 4.50 C ATOM 1136 C ILE A 74 11.815 9.528 -1.328 1.00 5.51 C ATOM 1137 O ILE A 74 11.729 9.643 -2.548 1.00 5.73 O ATOM 1138 CB ILE A 74 14.118 8.437 -1.203 1.00 4.81 C ATOM 1139 CG1 ILE A 74 14.924 7.188 -0.787 1.00 4.99 C ATOM 1140 CG2 ILE A 74 14.813 9.715 -0.709 1.00 6.06 C ATOM 1141 CD1 ILE A 74 14.951 6.918 0.723 1.00 6.02 C ATOM 0 H ILE A 74 12.487 6.698 -1.915 1.00 3.48 H new ATOM 0 HA ILE A 74 12.671 8.517 0.358 1.00 4.50 H new ATOM 0 HB ILE A 74 14.089 8.440 -2.293 1.00 4.81 H new ATOM 0 HG12 ILE A 74 14.505 6.317 -1.291 1.00 4.99 H new ATOM 0 HG13 ILE A 74 15.949 7.299 -1.141 1.00 4.99 H new ATOM 0 HG21 ILE A 74 15.846 9.725 -1.056 1.00 6.06 H new ATOM 0 HG22 ILE A 74 14.290 10.588 -1.100 1.00 6.06 H new ATOM 0 HG23 ILE A 74 14.796 9.740 0.381 1.00 6.06 H new ATOM 0 HD11 ILE A 74 15.539 6.022 0.922 1.00 6.02 H new ATOM 0 HD12 ILE A 74 15.400 7.768 1.237 1.00 6.02 H new ATOM 0 HD13 ILE A 74 13.933 6.771 1.085 1.00 6.02 H new ATOM 1153 N GLU A 75 11.190 10.337 -0.473 1.00 6.71 N ATOM 1154 CA GLU A 75 10.437 11.531 -0.802 1.00 8.17 C ATOM 1155 C GLU A 75 10.698 12.453 0.392 1.00 9.11 C ATOM 1156 O GLU A 75 10.657 13.689 0.211 1.00 10.10 O ATOM 1157 CB GLU A 75 8.945 11.173 -0.956 1.00 9.09 C ATOM 1158 CG GLU A 75 8.131 12.257 -1.687 1.00 10.55 C ATOM 1159 CD GLU A 75 6.666 11.868 -1.865 1.00 11.75 C ATOM 1160 OE1 GLU A 75 6.157 11.135 -0.994 1.00 12.03 O ATOM 1161 OE2 GLU A 75 6.074 12.292 -2.886 1.00 12.65 O ATOM 1162 OXT GLU A 75 10.991 11.874 1.467 1.00 9.19 O ATOM 0 H GLU A 75 11.201 10.158 0.531 1.00 6.71 H new ATOM 0 HA GLU A 75 10.725 12.001 -1.742 1.00 8.17 H new ATOM 0 HB2 GLU A 75 8.858 10.233 -1.502 1.00 9.09 H new ATOM 0 HB3 GLU A 75 8.514 11.009 0.032 1.00 9.09 H new ATOM 0 HG2 GLU A 75 8.190 13.190 -1.127 1.00 10.55 H new ATOM 0 HG3 GLU A 75 8.575 12.443 -2.665 1.00 10.55 H new TER 1169 GLU A 75