USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 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 17 SER OG : rot -3:sc= 2.08 USER MOD Set 1.2: A 48 THR OG1 : rot -23:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.038 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 6 THR OG1 : rot -73:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc= 0.0254 USER MOD Single : A 27 SER OG : rot -6:sc= 0.6 USER MOD Single : A 40 TYR OH : rot -23:sc= -2.45! USER MOD Single : A 46 MET CE :methyl 152:sc= -0.229 (180deg=-1.47) USER MOD Single : A 54 SER OG : rot 76:sc= 1.2 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0586 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -3.38! USER MOD Single : A 79 ASN : amide:sc= 1.11 K(o=1.1,f=-8.9!) USER MOD Single : A 87 SXD O33 : rot 17:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.220 9.952 -5.562 1.00 3.46 N ATOM 2 CA MET A 1 -16.326 10.332 -4.464 1.00 2.87 C ATOM 3 C MET A 1 -16.697 9.562 -3.222 1.00 2.37 C ATOM 4 O MET A 1 -17.880 9.269 -2.989 1.00 2.84 O ATOM 5 CB MET A 1 -16.375 11.841 -4.177 1.00 3.22 C ATOM 6 CG MET A 1 -15.885 12.733 -5.310 1.00 3.84 C ATOM 7 SD MET A 1 -14.166 12.429 -5.777 1.00 4.72 S ATOM 8 CE MET A 1 -13.945 13.686 -7.036 1.00 5.39 C ATOM 0 H1 MET A 1 -16.667 9.508 -6.322 1.00 3.46 H new ATOM 0 H2 MET A 1 -17.932 9.279 -5.213 1.00 3.46 H new ATOM 0 H3 MET A 1 -17.697 10.800 -5.931 1.00 3.46 H new ATOM 0 HA MET A 1 -15.307 10.089 -4.764 1.00 2.87 H new ATOM 0 HB2 MET A 1 -17.402 12.116 -3.938 1.00 3.22 H new ATOM 0 HB3 MET A 1 -15.776 12.046 -3.290 1.00 3.22 H new ATOM 0 HG2 MET A 1 -16.522 12.582 -6.182 1.00 3.84 H new ATOM 0 HG3 MET A 1 -15.993 13.776 -5.013 1.00 3.84 H new ATOM 0 HE1 MET A 1 -12.930 13.633 -7.429 1.00 5.39 H new ATOM 0 HE2 MET A 1 -14.656 13.520 -7.845 1.00 5.39 H new ATOM 0 HE3 MET A 1 -14.115 14.671 -6.601 1.00 5.39 H new ATOM 20 N ALA A 2 -15.703 9.243 -2.437 1.00 2.00 N ATOM 21 CA ALA A 2 -15.838 8.462 -1.233 1.00 1.85 C ATOM 22 C ALA A 2 -14.632 8.780 -0.353 1.00 1.39 C ATOM 23 O ALA A 2 -14.050 9.859 -0.476 1.00 1.40 O ATOM 24 CB ALA A 2 -15.863 6.982 -1.608 1.00 2.44 C ATOM 0 H ALA A 2 -14.742 9.529 -2.624 1.00 2.00 H new ATOM 0 HA ALA A 2 -16.759 8.695 -0.698 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -15.965 6.380 -0.705 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -16.707 6.789 -2.270 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -14.935 6.720 -2.116 1.00 2.44 H new ATOM 30 N THR A 3 -14.262 7.906 0.528 1.00 1.35 N ATOM 31 CA THR A 3 -13.075 8.130 1.288 1.00 1.15 C ATOM 32 C THR A 3 -11.963 7.316 0.640 1.00 1.02 C ATOM 33 O THR A 3 -11.943 6.104 0.737 1.00 1.25 O ATOM 34 CB THR A 3 -13.303 7.671 2.714 1.00 1.52 C ATOM 35 OG1 THR A 3 -14.527 8.259 3.184 1.00 2.18 O ATOM 36 CG2 THR A 3 -12.164 8.121 3.614 1.00 1.91 C ATOM 0 H THR A 3 -14.758 7.040 0.737 1.00 1.35 H new ATOM 0 HA THR A 3 -12.807 9.186 1.306 1.00 1.15 H new ATOM 0 HB THR A 3 -13.355 6.582 2.738 1.00 1.52 H new ATOM 0 HG1 THR A 3 -14.694 7.973 4.106 1.00 2.18 H new ATOM 0 HG21 THR A 3 -12.349 7.780 4.633 1.00 1.91 H new ATOM 0 HG22 THR A 3 -11.227 7.697 3.254 1.00 1.91 H new ATOM 0 HG23 THR A 3 -12.098 9.209 3.601 1.00 1.91 H new ATOM 44 N LEU A 4 -11.076 7.993 -0.047 1.00 0.80 N ATOM 45 CA LEU A 4 -10.034 7.329 -0.799 1.00 0.74 C ATOM 46 C LEU A 4 -8.676 7.644 -0.215 1.00 0.68 C ATOM 47 O LEU A 4 -8.528 8.590 0.576 1.00 0.89 O ATOM 48 CB LEU A 4 -10.071 7.776 -2.275 1.00 0.74 C ATOM 49 CG LEU A 4 -11.368 7.503 -3.054 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.264 8.052 -4.467 1.00 1.00 C ATOM 51 CD2 LEU A 4 -11.670 6.016 -3.092 1.00 1.10 C ATOM 0 H LEU A 4 -11.053 9.011 -0.102 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.207 6.254 -0.742 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -9.874 8.848 -2.310 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.251 7.284 -2.799 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.186 8.008 -2.540 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.190 7.850 -5.005 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.094 9.128 -4.428 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.433 7.572 -4.984 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -12.592 5.846 -3.648 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -10.849 5.490 -3.580 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -11.786 5.642 -2.075 1.00 1.10 H new ATOM 63 N LEU A 5 -7.704 6.863 -0.590 1.00 0.59 N ATOM 64 CA LEU A 5 -6.344 7.074 -0.191 1.00 0.61 C ATOM 65 C LEU A 5 -5.735 8.080 -1.116 1.00 0.53 C ATOM 66 O LEU A 5 -5.854 7.946 -2.343 1.00 0.53 O ATOM 67 CB LEU A 5 -5.532 5.786 -0.325 1.00 0.76 C ATOM 68 CG LEU A 5 -5.940 4.602 0.516 1.00 0.75 C ATOM 69 CD1 LEU A 5 -5.074 3.420 0.157 1.00 1.16 C ATOM 70 CD2 LEU A 5 -5.805 4.921 1.987 1.00 1.48 C ATOM 0 H LEU A 5 -7.837 6.050 -1.191 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.333 7.409 0.846 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -5.562 5.479 -1.371 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -4.493 6.020 -0.091 1.00 0.76 H new ATOM 0 HG LEU A 5 -6.985 4.364 0.317 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -5.363 2.560 0.761 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.203 3.182 -0.899 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -4.029 3.663 0.349 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -6.104 4.054 2.576 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -4.768 5.172 2.211 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -6.445 5.767 2.236 1.00 1.48 H new ATOM 82 N THR A 6 -5.115 9.074 -0.570 1.00 0.60 N ATOM 83 CA THR A 6 -4.403 10.008 -1.378 1.00 0.62 C ATOM 84 C THR A 6 -2.986 9.475 -1.569 1.00 0.56 C ATOM 85 O THR A 6 -2.678 8.338 -1.140 1.00 0.55 O ATOM 86 CB THR A 6 -4.353 11.409 -0.725 1.00 0.80 C ATOM 87 OG1 THR A 6 -3.725 11.311 0.569 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.752 11.994 -0.570 1.00 0.93 C ATOM 0 H THR A 6 -5.087 9.260 0.432 1.00 0.60 H new ATOM 0 HA THR A 6 -4.914 10.117 -2.335 1.00 0.62 H new ATOM 0 HB THR A 6 -3.776 12.070 -1.372 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.340 10.880 1.199 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.685 12.979 -0.108 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.220 12.084 -1.551 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.353 11.338 0.060 1.00 0.93 H new ATOM 96 N THR A 7 -2.117 10.268 -2.128 1.00 0.59 N ATOM 97 CA THR A 7 -0.746 9.877 -2.264 1.00 0.58 C ATOM 98 C THR A 7 -0.088 9.837 -0.886 1.00 0.47 C ATOM 99 O THR A 7 0.756 8.990 -0.601 1.00 0.45 O ATOM 100 CB THR A 7 -0.005 10.854 -3.185 1.00 0.70 C ATOM 101 OG1 THR A 7 -0.349 12.207 -2.827 1.00 1.31 O ATOM 102 CG2 THR A 7 -0.352 10.598 -4.645 1.00 1.10 C ATOM 0 H THR A 7 -2.336 11.193 -2.498 1.00 0.59 H new ATOM 0 HA THR A 7 -0.697 8.883 -2.710 1.00 0.58 H new ATOM 0 HB THR A 7 1.067 10.703 -3.061 1.00 0.70 H new ATOM 0 HG1 THR A 7 0.126 12.832 -3.414 1.00 1.31 H new ATOM 0 HG21 THR A 7 0.187 11.304 -5.276 1.00 1.10 H new ATOM 0 HG22 THR A 7 -0.067 9.581 -4.914 1.00 1.10 H new ATOM 0 HG23 THR A 7 -1.425 10.725 -4.792 1.00 1.10 H new ATOM 110 N ASP A 8 -0.558 10.715 -0.016 1.00 0.52 N ATOM 111 CA ASP A 8 -0.024 10.849 1.330 1.00 0.54 C ATOM 112 C ASP A 8 -0.417 9.675 2.190 1.00 0.48 C ATOM 113 O ASP A 8 0.385 9.178 2.977 1.00 0.52 O ATOM 114 CB ASP A 8 -0.460 12.152 1.983 1.00 0.71 C ATOM 115 CG ASP A 8 -0.027 13.364 1.210 1.00 1.19 C ATOM 116 OD1 ASP A 8 1.202 13.643 1.155 1.00 1.67 O ATOM 117 OD2 ASP A 8 -0.874 14.063 0.648 1.00 1.79 O ATOM 0 H ASP A 8 -1.323 11.357 -0.223 1.00 0.52 H new ATOM 0 HA ASP A 8 1.062 10.866 1.242 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -1.546 12.158 2.081 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.048 12.203 2.991 1.00 0.71 H new ATOM 122 N ASP A 9 -1.639 9.206 2.019 1.00 0.50 N ATOM 123 CA ASP A 9 -2.121 8.025 2.754 1.00 0.59 C ATOM 124 C ASP A 9 -1.274 6.831 2.407 1.00 0.52 C ATOM 125 O ASP A 9 -0.851 6.067 3.281 1.00 0.60 O ATOM 126 CB ASP A 9 -3.574 7.682 2.416 1.00 0.80 C ATOM 127 CG ASP A 9 -4.580 8.674 2.911 1.00 1.24 C ATOM 128 OD1 ASP A 9 -4.870 9.656 2.188 1.00 1.68 O ATOM 129 OD2 ASP A 9 -5.120 8.487 3.995 1.00 2.00 O ATOM 0 H ASP A 9 -2.323 9.615 1.382 1.00 0.50 H new ATOM 0 HA ASP A 9 -2.055 8.266 3.815 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.671 7.595 1.334 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.810 6.704 2.836 1.00 0.80 H new ATOM 134 N LEU A 10 -1.000 6.695 1.129 1.00 0.46 N ATOM 135 CA LEU A 10 -0.238 5.590 0.626 1.00 0.48 C ATOM 136 C LEU A 10 1.221 5.688 1.077 1.00 0.45 C ATOM 137 O LEU A 10 1.767 4.725 1.606 1.00 0.51 O ATOM 138 CB LEU A 10 -0.332 5.531 -0.903 1.00 0.52 C ATOM 139 CG LEU A 10 0.269 4.290 -1.566 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.470 3.038 -1.122 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.224 4.419 -3.073 1.00 1.19 C ATOM 0 H LEU A 10 -1.304 7.354 0.412 1.00 0.46 H new ATOM 0 HA LEU A 10 -0.655 4.669 1.033 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.383 5.596 -1.185 1.00 0.52 H new ATOM 0 HB3 LEU A 10 0.163 6.412 -1.312 1.00 0.52 H new ATOM 0 HG LEU A 10 1.311 4.207 -1.256 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.029 2.165 -1.603 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.392 2.934 -0.040 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.520 3.116 -1.404 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.656 3.527 -3.528 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.811 4.527 -3.398 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.795 5.295 -3.380 1.00 1.19 H new ATOM 153 N ARG A 11 1.830 6.871 0.910 1.00 0.42 N ATOM 154 CA ARG A 11 3.244 7.067 1.259 1.00 0.47 C ATOM 155 C ARG A 11 3.524 6.754 2.726 1.00 0.47 C ATOM 156 O ARG A 11 4.486 6.069 3.018 1.00 0.53 O ATOM 157 CB ARG A 11 3.771 8.480 0.881 1.00 0.56 C ATOM 158 CG ARG A 11 3.109 9.636 1.610 1.00 0.83 C ATOM 159 CD ARG A 11 3.608 10.994 1.139 1.00 0.87 C ATOM 160 NE ARG A 11 5.008 11.253 1.492 1.00 0.97 N ATOM 161 CZ ARG A 11 5.581 12.464 1.467 1.00 1.40 C ATOM 162 NH1 ARG A 11 4.831 13.543 1.257 1.00 1.87 N ATOM 163 NH2 ARG A 11 6.893 12.601 1.677 1.00 1.87 N ATOM 0 H ARG A 11 1.369 7.701 0.538 1.00 0.42 H new ATOM 0 HA ARG A 11 3.798 6.349 0.654 1.00 0.47 H new ATOM 0 HB2 ARG A 11 4.843 8.514 1.077 1.00 0.56 H new ATOM 0 HB3 ARG A 11 3.638 8.624 -0.191 1.00 0.56 H new ATOM 0 HG2 ARG A 11 2.030 9.580 1.465 1.00 0.83 H new ATOM 0 HG3 ARG A 11 3.293 9.538 2.680 1.00 0.83 H new ATOM 0 HD2 ARG A 11 3.496 11.059 0.057 1.00 0.87 H new ATOM 0 HD3 ARG A 11 2.981 11.774 1.572 1.00 0.87 H new ATOM 0 HE ARG A 11 5.583 10.459 1.775 1.00 0.97 H new ATOM 0 HH11 ARG A 11 3.825 13.446 1.116 1.00 1.87 H new ATOM 0 HH12 ARG A 11 5.262 14.467 1.237 1.00 1.87 H new ATOM 0 HH21 ARG A 11 7.469 11.779 1.859 1.00 1.87 H new ATOM 0 HH22 ARG A 11 7.319 13.528 1.656 1.00 1.87 H new ATOM 177 N ARG A 12 2.638 7.202 3.634 1.00 0.46 N ATOM 178 CA ARG A 12 2.839 6.984 5.077 1.00 0.52 C ATOM 179 C ARG A 12 2.884 5.505 5.406 1.00 0.55 C ATOM 180 O ARG A 12 3.699 5.065 6.227 1.00 0.65 O ATOM 181 CB ARG A 12 1.759 7.668 5.929 1.00 0.53 C ATOM 182 CG ARG A 12 1.703 9.178 5.789 1.00 1.03 C ATOM 183 CD ARG A 12 0.726 9.808 6.778 1.00 1.16 C ATOM 184 NE ARG A 12 -0.652 9.295 6.654 1.00 1.72 N ATOM 185 CZ ARG A 12 -1.736 9.869 7.197 1.00 2.32 C ATOM 186 NH1 ARG A 12 -1.641 11.047 7.827 1.00 2.40 N ATOM 187 NH2 ARG A 12 -2.917 9.270 7.090 1.00 3.33 N ATOM 0 H ARG A 12 1.786 7.711 3.398 1.00 0.46 H new ATOM 0 HA ARG A 12 3.799 7.437 5.323 1.00 0.52 H new ATOM 0 HB2 ARG A 12 0.787 7.255 5.659 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.931 7.420 6.976 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.698 9.594 5.947 1.00 1.03 H new ATOM 0 HG3 ARG A 12 1.407 9.437 4.772 1.00 1.03 H new ATOM 0 HD2 ARG A 12 1.082 9.628 7.792 1.00 1.16 H new ATOM 0 HD3 ARG A 12 0.718 10.888 6.630 1.00 1.16 H new ATOM 0 HE ARG A 12 -0.791 8.440 6.115 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -0.738 11.516 7.897 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -2.472 11.475 8.236 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -2.995 8.380 6.598 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -3.746 9.700 7.500 1.00 3.33 H new ATOM 201 N ALA A 13 2.044 4.740 4.731 1.00 0.52 N ATOM 202 CA ALA A 13 1.969 3.314 4.943 1.00 0.58 C ATOM 203 C ALA A 13 3.259 2.646 4.474 1.00 0.59 C ATOM 204 O ALA A 13 3.878 1.890 5.221 1.00 0.67 O ATOM 205 CB ALA A 13 0.748 2.742 4.246 1.00 0.62 C ATOM 0 H ALA A 13 1.399 5.093 4.024 1.00 0.52 H new ATOM 0 HA ALA A 13 1.861 3.112 6.009 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.704 1.666 4.414 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.152 3.209 4.647 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.814 2.940 3.176 1.00 0.62 H new ATOM 211 N LEU A 14 3.691 2.983 3.255 1.00 0.56 N ATOM 212 CA LEU A 14 4.942 2.493 2.705 1.00 0.63 C ATOM 213 C LEU A 14 6.168 2.906 3.538 1.00 0.73 C ATOM 214 O LEU A 14 7.245 2.315 3.406 1.00 0.95 O ATOM 215 CB LEU A 14 5.107 2.907 1.244 1.00 0.64 C ATOM 216 CG LEU A 14 4.375 2.060 0.191 1.00 0.72 C ATOM 217 CD1 LEU A 14 2.864 2.094 0.330 1.00 1.05 C ATOM 218 CD2 LEU A 14 4.809 2.446 -1.206 1.00 1.24 C ATOM 0 H LEU A 14 3.178 3.603 2.628 1.00 0.56 H new ATOM 0 HA LEU A 14 4.889 1.405 2.750 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.768 3.938 1.144 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.171 2.896 1.007 1.00 0.64 H new ATOM 0 HG LEU A 14 4.665 1.025 0.374 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.413 1.475 -0.445 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.580 1.712 1.310 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.512 3.120 0.225 1.00 1.05 H new ATOM 0 HD21 LEU A 14 4.278 1.833 -1.934 1.00 1.24 H new ATOM 0 HD22 LEU A 14 4.580 3.497 -1.381 1.00 1.24 H new ATOM 0 HD23 LEU A 14 5.882 2.286 -1.311 1.00 1.24 H new ATOM 230 N VAL A 15 6.019 3.905 4.365 1.00 0.69 N ATOM 231 CA VAL A 15 7.067 4.257 5.291 1.00 0.80 C ATOM 232 C VAL A 15 7.013 3.283 6.460 1.00 0.85 C ATOM 233 O VAL A 15 7.892 2.437 6.611 1.00 1.00 O ATOM 234 CB VAL A 15 6.902 5.710 5.849 1.00 0.85 C ATOM 235 CG1 VAL A 15 8.004 6.033 6.857 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.925 6.729 4.733 1.00 0.93 C ATOM 0 H VAL A 15 5.185 4.490 4.419 1.00 0.69 H new ATOM 0 HA VAL A 15 8.019 4.208 4.762 1.00 0.80 H new ATOM 0 HB VAL A 15 5.935 5.759 6.349 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.869 7.048 7.231 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.954 5.330 7.688 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.976 5.952 6.371 1.00 0.98 H new ATOM 0 HG21 VAL A 15 6.808 7.729 5.151 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.875 6.666 4.202 1.00 0.93 H new ATOM 0 HG23 VAL A 15 6.108 6.528 4.040 1.00 0.93 H new ATOM 246 N GLU A 16 5.918 3.350 7.214 1.00 0.83 N ATOM 247 CA GLU A 16 5.767 2.643 8.484 1.00 0.98 C ATOM 248 C GLU A 16 5.919 1.129 8.388 1.00 1.01 C ATOM 249 O GLU A 16 6.449 0.500 9.315 1.00 1.21 O ATOM 250 CB GLU A 16 4.469 3.079 9.185 1.00 1.12 C ATOM 251 CG GLU A 16 3.157 2.686 8.512 1.00 1.25 C ATOM 252 CD GLU A 16 2.653 1.321 8.924 1.00 1.62 C ATOM 253 OE1 GLU A 16 2.125 1.161 10.025 1.00 1.93 O ATOM 254 OE2 GLU A 16 2.780 0.381 8.138 1.00 2.18 O ATOM 0 H GLU A 16 5.101 3.903 6.957 1.00 0.83 H new ATOM 0 HA GLU A 16 6.609 2.940 9.110 1.00 0.98 H new ATOM 0 HB2 GLU A 16 4.471 2.664 10.193 1.00 1.12 H new ATOM 0 HB3 GLU A 16 4.486 4.164 9.287 1.00 1.12 H new ATOM 0 HG2 GLU A 16 2.398 3.432 8.750 1.00 1.25 H new ATOM 0 HG3 GLU A 16 3.293 2.703 7.431 1.00 1.25 H new ATOM 261 N SER A 17 5.483 0.561 7.284 1.00 0.92 N ATOM 262 CA SER A 17 5.582 -0.878 7.076 1.00 1.03 C ATOM 263 C SER A 17 7.047 -1.331 6.936 1.00 1.14 C ATOM 264 O SER A 17 7.409 -2.426 7.377 1.00 1.40 O ATOM 265 CB SER A 17 4.751 -1.319 5.863 1.00 0.97 C ATOM 266 OG SER A 17 3.372 -0.958 6.005 1.00 1.65 O ATOM 0 H SER A 17 5.054 1.071 6.511 1.00 0.92 H new ATOM 0 HA SER A 17 5.172 -1.365 7.961 1.00 1.03 H new ATOM 0 HB2 SER A 17 5.155 -0.862 4.960 1.00 0.97 H new ATOM 0 HB3 SER A 17 4.833 -2.399 5.739 1.00 0.97 H new ATOM 0 HG SER A 17 3.231 -0.543 6.882 1.00 1.65 H new ATOM 272 N ALA A 18 7.885 -0.472 6.370 1.00 1.07 N ATOM 273 CA ALA A 18 9.296 -0.787 6.181 1.00 1.24 C ATOM 274 C ALA A 18 10.095 -0.393 7.396 1.00 1.33 C ATOM 275 O ALA A 18 11.084 -1.046 7.750 1.00 1.59 O ATOM 276 CB ALA A 18 9.846 -0.097 4.949 1.00 1.29 C ATOM 0 H ALA A 18 7.611 0.451 6.033 1.00 1.07 H new ATOM 0 HA ALA A 18 9.382 -1.864 6.039 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.900 -0.349 4.831 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.293 -0.428 4.070 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.741 0.982 5.059 1.00 1.29 H new ATOM 282 N GLY A 19 9.686 0.675 8.011 1.00 1.34 N ATOM 283 CA GLY A 19 10.330 1.139 9.180 1.00 1.54 C ATOM 284 C GLY A 19 10.378 2.627 9.190 1.00 1.61 C ATOM 285 O GLY A 19 10.071 3.270 8.187 1.00 2.24 O ATOM 0 H GLY A 19 8.895 1.243 7.708 1.00 1.34 H new ATOM 0 HA2 GLY A 19 9.800 0.780 10.062 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.341 0.736 9.230 1.00 1.54 H new ATOM 289 N GLU A 20 10.746 3.181 10.285 1.00 1.53 N ATOM 290 CA GLU A 20 10.831 4.606 10.403 1.00 1.66 C ATOM 291 C GLU A 20 12.247 5.043 10.131 1.00 1.69 C ATOM 292 O GLU A 20 13.161 4.738 10.912 1.00 2.04 O ATOM 293 CB GLU A 20 10.356 5.064 11.768 1.00 2.11 C ATOM 294 CG GLU A 20 8.907 4.708 12.033 1.00 2.61 C ATOM 295 CD GLU A 20 8.415 5.233 13.343 1.00 3.24 C ATOM 296 OE1 GLU A 20 7.937 6.382 13.389 1.00 3.36 O ATOM 297 OE2 GLU A 20 8.473 4.506 14.345 1.00 3.97 O ATOM 0 H GLU A 20 10.999 2.669 11.130 1.00 1.53 H new ATOM 0 HA GLU A 20 10.176 5.071 9.667 1.00 1.66 H new ATOM 0 HB2 GLU A 20 10.983 4.613 12.537 1.00 2.11 H new ATOM 0 HB3 GLU A 20 10.481 6.144 11.848 1.00 2.11 H new ATOM 0 HG2 GLU A 20 8.286 5.106 11.230 1.00 2.61 H new ATOM 0 HG3 GLU A 20 8.794 3.624 12.015 1.00 2.61 H new ATOM 304 N THR A 21 12.422 5.730 9.016 1.00 1.88 N ATOM 305 CA THR A 21 13.715 6.172 8.534 1.00 2.20 C ATOM 306 C THR A 21 14.534 4.963 8.057 1.00 2.10 C ATOM 307 O THR A 21 15.452 4.481 8.743 1.00 2.75 O ATOM 308 CB THR A 21 14.500 6.998 9.594 1.00 2.92 C ATOM 309 OG1 THR A 21 13.667 8.077 10.080 1.00 3.25 O ATOM 310 CG2 THR A 21 15.771 7.581 8.992 1.00 3.47 C ATOM 0 H THR A 21 11.650 6.001 8.408 1.00 1.88 H new ATOM 0 HA THR A 21 13.541 6.843 7.693 1.00 2.20 H new ATOM 0 HB THR A 21 14.772 6.335 10.415 1.00 2.92 H new ATOM 0 HG1 THR A 21 14.161 8.596 10.749 1.00 3.25 H new ATOM 0 HG21 THR A 21 16.303 8.154 9.751 1.00 3.47 H new ATOM 0 HG22 THR A 21 16.408 6.772 8.635 1.00 3.47 H new ATOM 0 HG23 THR A 21 15.512 8.234 8.159 1.00 3.47 H new ATOM 318 N ASP A 22 14.079 4.380 6.972 1.00 1.66 N ATOM 319 CA ASP A 22 14.787 3.274 6.350 1.00 1.92 C ATOM 320 C ASP A 22 15.180 3.664 4.928 1.00 2.00 C ATOM 321 O ASP A 22 16.049 3.047 4.305 1.00 2.52 O ATOM 322 CB ASP A 22 13.911 2.005 6.342 1.00 2.44 C ATOM 323 CG ASP A 22 14.651 0.770 5.855 1.00 3.14 C ATOM 324 OD1 ASP A 22 15.407 0.165 6.654 1.00 3.81 O ATOM 325 OD2 ASP A 22 14.483 0.364 4.683 1.00 3.47 O ATOM 0 H ASP A 22 13.218 4.651 6.497 1.00 1.66 H new ATOM 0 HA ASP A 22 15.687 3.055 6.924 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.537 1.823 7.350 1.00 2.44 H new ATOM 0 HB3 ASP A 22 13.042 2.175 5.706 1.00 2.44 H new ATOM 330 N GLY A 23 14.579 4.732 4.438 1.00 1.96 N ATOM 331 CA GLY A 23 14.824 5.174 3.083 1.00 2.29 C ATOM 332 C GLY A 23 13.590 5.064 2.233 1.00 1.79 C ATOM 333 O GLY A 23 13.615 5.345 1.033 1.00 2.14 O ATOM 0 H GLY A 23 13.918 5.308 4.960 1.00 1.96 H new ATOM 0 HA2 GLY A 23 15.168 6.208 3.094 1.00 2.29 H new ATOM 0 HA3 GLY A 23 15.623 4.577 2.644 1.00 2.29 H new ATOM 337 N THR A 24 12.508 4.673 2.841 1.00 1.42 N ATOM 338 CA THR A 24 11.281 4.525 2.133 1.00 1.57 C ATOM 339 C THR A 24 10.387 5.754 2.273 1.00 1.79 C ATOM 340 O THR A 24 9.428 5.748 3.032 1.00 2.50 O ATOM 341 CB THR A 24 10.530 3.248 2.573 1.00 2.00 C ATOM 342 OG1 THR A 24 10.463 3.174 4.016 1.00 2.76 O ATOM 343 CG2 THR A 24 11.208 2.001 2.023 1.00 2.01 C ATOM 0 H THR A 24 12.456 4.450 3.835 1.00 1.42 H new ATOM 0 HA THR A 24 11.535 4.425 1.078 1.00 1.57 H new ATOM 0 HB THR A 24 9.518 3.298 2.171 1.00 2.00 H new ATOM 0 HG1 THR A 24 10.129 4.024 4.372 1.00 2.76 H new ATOM 0 HG21 THR A 24 10.660 1.116 2.347 1.00 2.01 H new ATOM 0 HG22 THR A 24 11.218 2.043 0.934 1.00 2.01 H new ATOM 0 HG23 THR A 24 12.232 1.950 2.394 1.00 2.01 H new ATOM 351 N ASP A 25 10.759 6.836 1.623 1.00 1.60 N ATOM 352 CA ASP A 25 9.894 7.996 1.603 1.00 1.91 C ATOM 353 C ASP A 25 9.378 8.152 0.207 1.00 1.36 C ATOM 354 O ASP A 25 10.131 8.025 -0.762 1.00 1.34 O ATOM 355 CB ASP A 25 10.558 9.286 2.078 1.00 2.62 C ATOM 356 CG ASP A 25 9.520 10.387 2.258 1.00 3.27 C ATOM 357 OD1 ASP A 25 8.970 10.555 3.361 1.00 3.79 O ATOM 358 OD2 ASP A 25 9.275 11.148 1.302 1.00 3.69 O ATOM 0 H ASP A 25 11.636 6.937 1.111 1.00 1.60 H new ATOM 0 HA ASP A 25 9.088 7.823 2.316 1.00 1.91 H new ATOM 0 HB2 ASP A 25 11.076 9.109 3.021 1.00 2.62 H new ATOM 0 HB3 ASP A 25 11.310 9.602 1.355 1.00 2.62 H new ATOM 363 N LEU A 26 8.122 8.418 0.087 1.00 1.18 N ATOM 364 CA LEU A 26 7.475 8.394 -1.174 1.00 0.83 C ATOM 365 C LEU A 26 6.868 9.752 -1.470 1.00 0.82 C ATOM 366 O LEU A 26 5.688 9.987 -1.264 1.00 0.85 O ATOM 367 CB LEU A 26 6.405 7.269 -1.232 1.00 1.19 C ATOM 368 CG LEU A 26 6.875 5.787 -1.089 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.963 5.446 -2.085 1.00 0.94 C ATOM 370 CD2 LEU A 26 7.304 5.433 0.336 1.00 0.87 C ATOM 0 H LEU A 26 7.513 8.660 0.869 1.00 1.18 H new ATOM 0 HA LEU A 26 8.215 8.174 -1.943 1.00 0.83 H new ATOM 0 HB2 LEU A 26 5.676 7.463 -0.445 1.00 1.19 H new ATOM 0 HB3 LEU A 26 5.879 7.360 -2.182 1.00 1.19 H new ATOM 0 HG LEU A 26 6.004 5.172 -1.316 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.263 4.406 -1.954 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.587 5.590 -3.098 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.823 6.096 -1.921 1.00 0.94 H new ATOM 0 HD21 LEU A 26 7.620 4.390 0.372 1.00 0.87 H new ATOM 0 HD22 LEU A 26 8.133 6.074 0.636 1.00 0.87 H new ATOM 0 HD23 LEU A 26 6.465 5.582 1.016 1.00 0.87 H new ATOM 382 N SER A 27 7.709 10.653 -1.857 1.00 0.91 N ATOM 383 CA SER A 27 7.302 12.002 -2.182 1.00 0.99 C ATOM 384 C SER A 27 6.819 12.108 -3.639 1.00 1.04 C ATOM 385 O SER A 27 7.536 11.687 -4.569 1.00 1.44 O ATOM 386 CB SER A 27 8.477 12.930 -2.019 1.00 1.16 C ATOM 387 OG SER A 27 9.152 12.734 -0.780 1.00 1.55 O ATOM 0 H SER A 27 8.709 10.484 -1.961 1.00 0.91 H new ATOM 0 HA SER A 27 6.486 12.272 -1.512 1.00 0.99 H new ATOM 0 HB2 SER A 27 9.177 12.775 -2.840 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.134 13.962 -2.084 1.00 1.16 H new ATOM 0 HG SER A 27 8.653 12.091 -0.234 1.00 1.55 H new ATOM 393 N GLY A 28 5.637 12.683 -3.815 1.00 1.36 N ATOM 394 CA GLY A 28 5.061 12.980 -5.125 1.00 1.53 C ATOM 395 C GLY A 28 4.861 11.786 -6.024 1.00 1.44 C ATOM 396 O GLY A 28 3.936 11.002 -5.835 1.00 2.11 O ATOM 0 H GLY A 28 5.038 12.962 -3.038 1.00 1.36 H new ATOM 0 HA2 GLY A 28 4.098 13.470 -4.978 1.00 1.53 H new ATOM 0 HA3 GLY A 28 5.707 13.694 -5.635 1.00 1.53 H new ATOM 400 N ASP A 29 5.715 11.665 -7.010 1.00 1.11 N ATOM 401 CA ASP A 29 5.626 10.578 -7.962 1.00 1.05 C ATOM 402 C ASP A 29 6.333 9.378 -7.425 1.00 0.88 C ATOM 403 O ASP A 29 7.559 9.389 -7.256 1.00 1.07 O ATOM 404 CB ASP A 29 6.211 10.950 -9.333 1.00 1.32 C ATOM 405 CG ASP A 29 5.465 12.061 -10.017 1.00 1.67 C ATOM 406 OD1 ASP A 29 4.377 11.807 -10.572 1.00 2.12 O ATOM 407 OD2 ASP A 29 5.947 13.213 -10.023 1.00 2.27 O ATOM 0 H ASP A 29 6.487 12.310 -7.178 1.00 1.11 H new ATOM 0 HA ASP A 29 4.568 10.360 -8.106 1.00 1.05 H new ATOM 0 HB2 ASP A 29 7.253 11.245 -9.208 1.00 1.32 H new ATOM 0 HB3 ASP A 29 6.204 10.069 -9.974 1.00 1.32 H new ATOM 412 N PHE A 30 5.576 8.367 -7.106 1.00 0.67 N ATOM 413 CA PHE A 30 6.136 7.132 -6.608 1.00 0.55 C ATOM 414 C PHE A 30 5.323 5.938 -7.086 1.00 0.42 C ATOM 415 O PHE A 30 5.546 4.812 -6.672 1.00 0.41 O ATOM 416 CB PHE A 30 6.234 7.155 -5.067 1.00 0.56 C ATOM 417 CG PHE A 30 4.925 7.302 -4.331 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.400 8.552 -4.063 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.237 6.188 -3.884 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.214 8.690 -3.374 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.058 6.320 -3.194 1.00 0.60 C ATOM 422 CZ PHE A 30 2.544 7.572 -2.939 1.00 0.69 C ATOM 0 H PHE A 30 4.559 8.370 -7.181 1.00 0.67 H new ATOM 0 HA PHE A 30 7.146 7.032 -7.007 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.713 6.233 -4.738 1.00 0.56 H new ATOM 0 HB3 PHE A 30 6.888 7.976 -4.775 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.926 9.433 -4.398 1.00 0.68 H new ATOM 0 HD2 PHE A 30 4.633 5.202 -4.080 1.00 0.52 H new ATOM 0 HE1 PHE A 30 2.813 9.673 -3.177 1.00 0.74 H new ATOM 0 HE2 PHE A 30 2.533 5.441 -2.851 1.00 0.60 H new ATOM 0 HZ PHE A 30 1.615 7.675 -2.398 1.00 0.69 H new ATOM 432 N LEU A 31 4.428 6.177 -8.013 1.00 0.39 N ATOM 433 CA LEU A 31 3.543 5.130 -8.502 1.00 0.35 C ATOM 434 C LEU A 31 4.240 4.304 -9.559 1.00 0.38 C ATOM 435 O LEU A 31 3.820 3.195 -9.876 1.00 0.50 O ATOM 436 CB LEU A 31 2.213 5.698 -9.052 1.00 0.39 C ATOM 437 CG LEU A 31 1.155 6.176 -8.024 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.647 7.340 -7.172 1.00 1.17 C ATOM 439 CD2 LEU A 31 -0.139 6.543 -8.731 1.00 1.45 C ATOM 0 H LEU A 31 4.287 7.088 -8.450 1.00 0.39 H new ATOM 0 HA LEU A 31 3.296 4.492 -7.653 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.451 6.538 -9.704 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.753 4.931 -9.675 1.00 0.39 H new ATOM 0 HG LEU A 31 0.972 5.344 -7.344 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.866 7.633 -6.470 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.536 7.036 -6.619 1.00 1.17 H new ATOM 0 HD13 LEU A 31 1.892 8.185 -7.816 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -0.873 6.877 -7.997 1.00 1.45 H new ATOM 0 HD22 LEU A 31 0.051 7.345 -9.445 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.525 5.671 -9.259 1.00 1.45 H new ATOM 451 N ASP A 32 5.318 4.840 -10.081 1.00 0.44 N ATOM 452 CA ASP A 32 6.104 4.178 -11.111 1.00 0.57 C ATOM 453 C ASP A 32 7.256 3.393 -10.488 1.00 0.48 C ATOM 454 O ASP A 32 8.160 2.920 -11.180 1.00 0.54 O ATOM 455 CB ASP A 32 6.632 5.196 -12.138 1.00 0.84 C ATOM 456 CG ASP A 32 7.718 6.125 -11.612 1.00 1.69 C ATOM 457 OD1 ASP A 32 7.419 6.956 -10.728 1.00 2.24 O ATOM 458 OD2 ASP A 32 8.890 6.024 -12.055 1.00 2.45 O ATOM 0 H ASP A 32 5.682 5.752 -9.806 1.00 0.44 H new ATOM 0 HA ASP A 32 5.455 3.476 -11.634 1.00 0.57 H new ATOM 0 HB2 ASP A 32 7.022 4.654 -12.999 1.00 0.84 H new ATOM 0 HB3 ASP A 32 5.797 5.800 -12.493 1.00 0.84 H new ATOM 463 N LEU A 33 7.213 3.247 -9.187 1.00 0.43 N ATOM 464 CA LEU A 33 8.212 2.478 -8.468 1.00 0.40 C ATOM 465 C LEU A 33 7.781 1.031 -8.413 1.00 0.33 C ATOM 466 O LEU A 33 6.639 0.731 -8.668 1.00 0.36 O ATOM 467 CB LEU A 33 8.370 3.006 -7.053 1.00 0.44 C ATOM 468 CG LEU A 33 8.837 4.458 -6.923 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.030 4.817 -5.467 1.00 0.67 C ATOM 470 CD2 LEU A 33 10.122 4.696 -7.705 1.00 0.71 C ATOM 0 H LEU A 33 6.490 3.654 -8.594 1.00 0.43 H new ATOM 0 HA LEU A 33 9.166 2.566 -8.987 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.413 2.907 -6.541 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.081 2.369 -6.527 1.00 0.44 H new ATOM 0 HG LEU A 33 8.065 5.101 -7.345 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.362 5.852 -5.388 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.086 4.697 -4.935 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.781 4.161 -5.027 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.429 5.736 -7.593 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.907 4.043 -7.323 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.952 4.479 -8.760 1.00 0.71 H new ATOM 482 N ARG A 34 8.672 0.154 -8.066 1.00 0.31 N ATOM 483 CA ARG A 34 8.357 -1.265 -7.993 1.00 0.32 C ATOM 484 C ARG A 34 8.672 -1.760 -6.602 1.00 0.36 C ATOM 485 O ARG A 34 9.707 -1.399 -6.043 1.00 0.48 O ATOM 486 CB ARG A 34 9.168 -2.040 -9.040 1.00 0.43 C ATOM 487 CG ARG A 34 8.918 -1.557 -10.463 1.00 0.59 C ATOM 488 CD ARG A 34 9.875 -2.175 -11.466 1.00 0.89 C ATOM 489 NE ARG A 34 9.551 -1.753 -12.842 1.00 1.94 N ATOM 490 CZ ARG A 34 10.387 -1.118 -13.694 1.00 2.65 C ATOM 491 NH1 ARG A 34 11.631 -0.822 -13.329 1.00 2.65 N ATOM 492 NH2 ARG A 34 9.971 -0.809 -14.921 1.00 3.76 N ATOM 0 H ARG A 34 9.636 0.385 -7.824 1.00 0.31 H new ATOM 0 HA ARG A 34 7.299 -1.423 -8.203 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.230 -1.946 -8.812 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.920 -3.099 -8.973 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.894 -1.796 -10.749 1.00 0.59 H new ATOM 0 HG3 ARG A 34 9.014 -0.472 -10.496 1.00 0.59 H new ATOM 0 HD2 ARG A 34 10.897 -1.884 -11.225 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.828 -3.262 -11.395 1.00 0.89 H new ATOM 0 HE ARG A 34 8.611 -1.959 -13.181 1.00 1.94 H new ATOM 0 HH11 ARG A 34 11.963 -1.074 -12.398 1.00 2.65 H new ATOM 0 HH12 ARG A 34 12.253 -0.343 -13.980 1.00 2.65 H new ATOM 0 HH21 ARG A 34 9.025 -1.051 -15.215 1.00 3.76 H new ATOM 0 HH22 ARG A 34 10.599 -0.330 -15.567 1.00 3.76 H new ATOM 506 N PHE A 35 7.798 -2.570 -6.033 1.00 0.35 N ATOM 507 CA PHE A 35 7.995 -3.063 -4.678 1.00 0.41 C ATOM 508 C PHE A 35 9.216 -3.934 -4.540 1.00 0.48 C ATOM 509 O PHE A 35 9.926 -3.837 -3.547 1.00 0.54 O ATOM 510 CB PHE A 35 6.758 -3.745 -4.095 1.00 0.41 C ATOM 511 CG PHE A 35 5.662 -2.788 -3.735 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.915 -1.729 -2.879 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.384 -2.956 -4.218 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.915 -0.857 -2.519 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.377 -2.082 -3.862 1.00 0.46 C ATOM 516 CZ PHE A 35 3.642 -1.033 -3.012 1.00 0.46 C ATOM 0 H PHE A 35 6.946 -2.901 -6.485 1.00 0.35 H new ATOM 0 HA PHE A 35 8.170 -2.168 -4.081 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.377 -4.467 -4.817 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.047 -4.306 -3.206 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.912 -1.586 -2.489 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.167 -3.780 -4.882 1.00 0.42 H new ATOM 0 HE1 PHE A 35 5.128 -0.036 -1.851 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.379 -2.222 -4.251 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.854 -0.350 -2.733 1.00 0.46 H new ATOM 526 N GLU A 36 9.488 -4.757 -5.534 1.00 0.56 N ATOM 527 CA GLU A 36 10.677 -5.597 -5.505 1.00 0.70 C ATOM 528 C GLU A 36 11.887 -4.666 -5.509 1.00 0.69 C ATOM 529 O GLU A 36 12.779 -4.771 -4.670 1.00 0.80 O ATOM 530 CB GLU A 36 10.691 -6.517 -6.745 1.00 0.88 C ATOM 531 CG GLU A 36 11.632 -7.739 -6.696 1.00 1.65 C ATOM 532 CD GLU A 36 13.116 -7.431 -6.562 1.00 2.01 C ATOM 533 OE1 GLU A 36 13.749 -7.032 -7.561 1.00 2.71 O ATOM 534 OE2 GLU A 36 13.669 -7.563 -5.457 1.00 2.26 O ATOM 0 H GLU A 36 8.909 -4.864 -6.367 1.00 0.56 H new ATOM 0 HA GLU A 36 10.693 -6.231 -4.619 1.00 0.70 H new ATOM 0 HB2 GLU A 36 9.676 -6.877 -6.912 1.00 0.88 H new ATOM 0 HB3 GLU A 36 10.962 -5.914 -7.612 1.00 0.88 H new ATOM 0 HG2 GLU A 36 11.334 -8.369 -5.858 1.00 1.65 H new ATOM 0 HG3 GLU A 36 11.483 -8.325 -7.603 1.00 1.65 H new ATOM 541 N ASP A 37 11.834 -3.698 -6.398 1.00 0.67 N ATOM 542 CA ASP A 37 12.915 -2.741 -6.616 1.00 0.76 C ATOM 543 C ASP A 37 13.225 -1.912 -5.371 1.00 0.72 C ATOM 544 O ASP A 37 14.386 -1.716 -5.032 1.00 0.87 O ATOM 545 CB ASP A 37 12.579 -1.828 -7.782 1.00 0.88 C ATOM 546 CG ASP A 37 13.696 -0.886 -8.131 1.00 1.13 C ATOM 547 OD1 ASP A 37 14.656 -1.296 -8.816 1.00 1.43 O ATOM 548 OD2 ASP A 37 13.663 0.275 -7.665 1.00 1.61 O ATOM 0 H ASP A 37 11.028 -3.545 -7.004 1.00 0.67 H new ATOM 0 HA ASP A 37 13.810 -3.318 -6.848 1.00 0.76 H new ATOM 0 HB2 ASP A 37 12.338 -2.436 -8.654 1.00 0.88 H new ATOM 0 HB3 ASP A 37 11.687 -1.251 -7.539 1.00 0.88 H new ATOM 553 N ILE A 38 12.192 -1.461 -4.669 1.00 0.59 N ATOM 554 CA ILE A 38 12.403 -0.642 -3.465 1.00 0.62 C ATOM 555 C ILE A 38 12.628 -1.489 -2.207 1.00 0.60 C ATOM 556 O ILE A 38 12.600 -0.969 -1.085 1.00 0.66 O ATOM 557 CB ILE A 38 11.280 0.409 -3.204 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.904 -0.264 -3.013 1.00 0.52 C ATOM 559 CG2 ILE A 38 11.235 1.429 -4.328 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.781 0.706 -2.680 1.00 0.57 C ATOM 0 H ILE A 38 11.215 -1.640 -4.900 1.00 0.59 H new ATOM 0 HA ILE A 38 13.316 -0.087 -3.681 1.00 0.62 H new ATOM 0 HB ILE A 38 11.518 0.928 -2.275 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.646 -0.804 -3.924 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.980 -1.003 -2.215 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.446 2.154 -4.130 1.00 0.70 H new ATOM 0 HG22 ILE A 38 12.194 1.944 -4.391 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.033 0.922 -5.272 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.848 0.155 -2.561 1.00 0.57 H new ATOM 0 HD12 ILE A 38 9.015 1.228 -1.752 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.675 1.431 -3.487 1.00 0.57 H new ATOM 572 N GLY A 39 12.905 -2.768 -2.409 1.00 0.57 N ATOM 573 CA GLY A 39 13.196 -3.669 -1.310 1.00 0.58 C ATOM 574 C GLY A 39 12.010 -3.881 -0.400 1.00 0.50 C ATOM 575 O GLY A 39 12.151 -3.945 0.829 1.00 0.57 O ATOM 0 H GLY A 39 12.934 -3.205 -3.330 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.518 -4.630 -1.710 1.00 0.58 H new ATOM 0 HA3 GLY A 39 14.028 -3.270 -0.729 1.00 0.58 H new ATOM 579 N TYR A 40 10.853 -3.991 -0.984 1.00 0.43 N ATOM 580 CA TYR A 40 9.655 -4.161 -0.233 1.00 0.41 C ATOM 581 C TYR A 40 9.179 -5.589 -0.322 1.00 0.45 C ATOM 582 O TYR A 40 9.265 -6.226 -1.379 1.00 0.67 O ATOM 583 CB TYR A 40 8.578 -3.202 -0.716 1.00 0.44 C ATOM 584 CG TYR A 40 7.999 -2.398 0.397 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.633 -1.266 0.870 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.788 -2.755 0.953 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.072 -0.509 1.869 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.227 -2.013 1.952 1.00 0.86 C ATOM 589 CZ TYR A 40 6.989 -0.939 2.504 1.00 0.98 C ATOM 590 OH TYR A 40 6.291 -0.132 3.374 1.00 1.26 O ATOM 0 H TYR A 40 10.719 -3.965 -1.995 1.00 0.43 H new ATOM 0 HA TYR A 40 9.866 -3.933 0.812 1.00 0.41 H new ATOM 0 HB2 TYR A 40 9.000 -2.532 -1.465 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.784 -3.767 -1.205 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.583 -0.972 0.449 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.276 -3.635 0.592 1.00 0.61 H new ATOM 0 HE1 TYR A 40 8.513 0.439 2.139 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.234 -2.232 2.315 1.00 0.86 H new ATOM 0 HH TYR A 40 6.881 0.576 3.708 1.00 1.26 H new ATOM 600 N ASP A 41 8.740 -6.101 0.788 1.00 0.48 N ATOM 601 CA ASP A 41 8.237 -7.456 0.870 1.00 0.59 C ATOM 602 C ASP A 41 6.749 -7.456 0.873 1.00 0.45 C ATOM 603 O ASP A 41 6.113 -6.473 1.250 1.00 0.39 O ATOM 604 CB ASP A 41 8.707 -8.158 2.143 1.00 0.85 C ATOM 605 CG ASP A 41 10.185 -8.424 2.176 1.00 1.50 C ATOM 606 OD1 ASP A 41 10.971 -7.481 2.397 1.00 2.01 O ATOM 607 OD2 ASP A 41 10.586 -9.587 1.967 1.00 2.11 O ATOM 0 H ASP A 41 8.717 -5.594 1.673 1.00 0.48 H new ATOM 0 HA ASP A 41 8.622 -7.988 0.000 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.438 -7.547 3.005 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.174 -9.104 2.244 1.00 0.85 H new ATOM 612 N SER A 42 6.196 -8.567 0.512 1.00 0.45 N ATOM 613 CA SER A 42 4.772 -8.750 0.484 1.00 0.41 C ATOM 614 C SER A 42 4.196 -8.849 1.893 1.00 0.33 C ATOM 615 O SER A 42 3.035 -8.506 2.121 1.00 0.30 O ATOM 616 CB SER A 42 4.425 -9.941 -0.392 1.00 0.50 C ATOM 617 OG SER A 42 5.565 -10.879 -0.442 1.00 0.71 O ATOM 0 H SER A 42 6.725 -9.390 0.222 1.00 0.45 H new ATOM 0 HA SER A 42 4.303 -7.873 0.039 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.543 -10.447 0.001 1.00 0.50 H new ATOM 0 HB3 SER A 42 4.177 -9.603 -1.398 1.00 0.50 H new ATOM 622 N LEU A 43 5.024 -9.297 2.836 1.00 0.35 N ATOM 623 CA LEU A 43 4.656 -9.300 4.242 1.00 0.37 C ATOM 624 C LEU A 43 4.424 -7.859 4.696 1.00 0.33 C ATOM 625 O LEU A 43 3.509 -7.570 5.454 1.00 0.38 O ATOM 626 CB LEU A 43 5.757 -9.938 5.094 1.00 0.49 C ATOM 627 CG LEU A 43 5.454 -10.046 6.595 1.00 0.63 C ATOM 628 CD1 LEU A 43 4.303 -11.008 6.857 1.00 1.02 C ATOM 629 CD2 LEU A 43 6.693 -10.451 7.371 1.00 1.03 C ATOM 0 H LEU A 43 5.957 -9.663 2.645 1.00 0.35 H new ATOM 0 HA LEU A 43 3.746 -9.886 4.369 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.956 -10.938 4.709 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.672 -9.359 4.967 1.00 0.49 H new ATOM 0 HG LEU A 43 5.147 -9.061 6.945 1.00 0.63 H new ATOM 0 HD11 LEU A 43 4.112 -11.063 7.929 1.00 1.02 H new ATOM 0 HD12 LEU A 43 3.408 -10.652 6.347 1.00 1.02 H new ATOM 0 HD13 LEU A 43 4.564 -11.998 6.483 1.00 1.02 H new ATOM 0 HD21 LEU A 43 6.451 -10.520 8.432 1.00 1.03 H new ATOM 0 HD22 LEU A 43 7.045 -11.419 7.015 1.00 1.03 H new ATOM 0 HD23 LEU A 43 7.474 -9.705 7.225 1.00 1.03 H new ATOM 641 N ALA A 44 5.235 -6.957 4.183 1.00 0.33 N ATOM 642 CA ALA A 44 5.096 -5.558 4.500 1.00 0.37 C ATOM 643 C ALA A 44 3.901 -4.983 3.757 1.00 0.31 C ATOM 644 O ALA A 44 3.181 -4.172 4.284 1.00 0.35 O ATOM 645 CB ALA A 44 6.370 -4.803 4.162 1.00 0.46 C ATOM 0 H ALA A 44 5.999 -7.173 3.543 1.00 0.33 H new ATOM 0 HA ALA A 44 4.925 -5.448 5.571 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.244 -3.749 4.409 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.200 -5.214 4.737 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.581 -4.904 3.097 1.00 0.46 H new ATOM 651 N LEU A 45 3.677 -5.468 2.539 1.00 0.26 N ATOM 652 CA LEU A 45 2.545 -5.032 1.711 1.00 0.25 C ATOM 653 C LEU A 45 1.216 -5.355 2.360 1.00 0.28 C ATOM 654 O LEU A 45 0.291 -4.535 2.354 1.00 0.29 O ATOM 655 CB LEU A 45 2.604 -5.657 0.324 1.00 0.28 C ATOM 656 CG LEU A 45 3.791 -5.254 -0.520 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.720 -5.914 -1.879 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.833 -3.752 -0.652 1.00 0.40 C ATOM 0 H LEU A 45 4.269 -6.171 2.096 1.00 0.26 H new ATOM 0 HA LEU A 45 2.625 -3.949 1.615 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.609 -6.742 0.433 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.692 -5.395 -0.213 1.00 0.28 H new ATOM 0 HG LEU A 45 4.707 -5.587 -0.033 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.582 -5.614 -2.475 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.722 -6.997 -1.758 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.805 -5.607 -2.385 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.690 -3.464 -1.261 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.916 -3.403 -1.127 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.923 -3.302 0.337 1.00 0.40 H new ATOM 670 N MET A 46 1.110 -6.541 2.923 1.00 0.34 N ATOM 671 CA MET A 46 -0.110 -6.923 3.601 1.00 0.44 C ATOM 672 C MET A 46 -0.266 -6.151 4.907 1.00 0.40 C ATOM 673 O MET A 46 -1.373 -5.900 5.348 1.00 0.45 O ATOM 674 CB MET A 46 -0.236 -8.461 3.767 1.00 0.71 C ATOM 675 CG MET A 46 0.867 -9.157 4.564 1.00 0.38 C ATOM 676 SD MET A 46 0.754 -8.927 6.354 1.00 1.64 S ATOM 677 CE MET A 46 -0.806 -9.735 6.678 1.00 2.26 C ATOM 0 H MET A 46 1.844 -7.249 2.925 1.00 0.34 H new ATOM 0 HA MET A 46 -0.952 -6.641 2.969 1.00 0.44 H new ATOM 0 HB2 MET A 46 -1.190 -8.674 4.248 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.273 -8.909 2.774 1.00 0.71 H new ATOM 0 HG2 MET A 46 0.839 -10.224 4.345 1.00 0.38 H new ATOM 0 HG3 MET A 46 1.834 -8.787 4.223 1.00 0.38 H new ATOM 0 HE1 MET A 46 -0.808 -10.127 7.695 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.618 -9.017 6.564 1.00 2.26 H new ATOM 0 HE3 MET A 46 -0.944 -10.555 5.973 1.00 2.26 H new ATOM 687 N GLU A 47 0.858 -5.715 5.469 1.00 0.40 N ATOM 688 CA GLU A 47 0.864 -4.906 6.679 1.00 0.46 C ATOM 689 C GLU A 47 0.351 -3.503 6.321 1.00 0.43 C ATOM 690 O GLU A 47 -0.480 -2.920 7.036 1.00 0.53 O ATOM 691 CB GLU A 47 2.292 -4.837 7.234 1.00 0.54 C ATOM 692 CG GLU A 47 2.422 -4.252 8.626 1.00 1.22 C ATOM 693 CD GLU A 47 1.651 -5.039 9.649 1.00 1.77 C ATOM 694 OE1 GLU A 47 1.770 -6.279 9.675 1.00 2.46 O ATOM 695 OE2 GLU A 47 0.909 -4.438 10.454 1.00 2.22 O ATOM 0 H GLU A 47 1.787 -5.913 5.098 1.00 0.40 H new ATOM 0 HA GLU A 47 0.220 -5.343 7.442 1.00 0.46 H new ATOM 0 HB2 GLU A 47 2.710 -5.844 7.241 1.00 0.54 H new ATOM 0 HB3 GLU A 47 2.901 -4.244 6.551 1.00 0.54 H new ATOM 0 HG2 GLU A 47 3.474 -4.224 8.909 1.00 1.22 H new ATOM 0 HG3 GLU A 47 2.066 -3.222 8.620 1.00 1.22 H new ATOM 702 N THR A 48 0.860 -2.978 5.208 1.00 0.33 N ATOM 703 CA THR A 48 0.414 -1.726 4.621 1.00 0.33 C ATOM 704 C THR A 48 -1.111 -1.786 4.417 1.00 0.31 C ATOM 705 O THR A 48 -1.864 -0.940 4.934 1.00 0.36 O ATOM 706 CB THR A 48 1.116 -1.557 3.244 1.00 0.32 C ATOM 707 OG1 THR A 48 2.535 -1.525 3.417 1.00 0.37 O ATOM 708 CG2 THR A 48 0.669 -0.298 2.523 1.00 0.38 C ATOM 0 H THR A 48 1.610 -3.425 4.681 1.00 0.33 H new ATOM 0 HA THR A 48 0.660 -0.887 5.272 1.00 0.33 H new ATOM 0 HB THR A 48 0.832 -2.413 2.632 1.00 0.32 H new ATOM 0 HG1 THR A 48 2.747 -1.256 4.335 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.186 -0.223 1.567 1.00 0.38 H new ATOM 0 HG22 THR A 48 -0.407 -0.339 2.351 1.00 0.38 H new ATOM 0 HG23 THR A 48 0.906 0.574 3.133 1.00 0.38 H new ATOM 716 N ALA A 49 -1.549 -2.802 3.679 1.00 0.29 N ATOM 717 CA ALA A 49 -2.953 -3.017 3.383 1.00 0.31 C ATOM 718 C ALA A 49 -3.799 -3.116 4.653 1.00 0.29 C ATOM 719 O ALA A 49 -4.744 -2.359 4.807 1.00 0.27 O ATOM 720 CB ALA A 49 -3.134 -4.261 2.528 1.00 0.35 C ATOM 0 H ALA A 49 -0.931 -3.502 3.269 1.00 0.29 H new ATOM 0 HA ALA A 49 -3.302 -2.148 2.825 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -4.193 -4.406 2.316 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.590 -4.141 1.591 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.749 -5.129 3.063 1.00 0.35 H new ATOM 726 N ALA A 50 -3.408 -4.009 5.575 1.00 0.33 N ATOM 727 CA ALA A 50 -4.147 -4.281 6.836 1.00 0.37 C ATOM 728 C ALA A 50 -4.467 -3.014 7.614 1.00 0.33 C ATOM 729 O ALA A 50 -5.578 -2.852 8.143 1.00 0.34 O ATOM 730 CB ALA A 50 -3.341 -5.204 7.719 1.00 0.47 C ATOM 0 H ALA A 50 -2.564 -4.572 5.474 1.00 0.33 H new ATOM 0 HA ALA A 50 -5.090 -4.747 6.551 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.890 -5.398 8.640 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -3.165 -6.145 7.197 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.386 -4.737 7.958 1.00 0.47 H new ATOM 736 N ARG A 51 -3.501 -2.125 7.672 1.00 0.34 N ATOM 737 CA ARG A 51 -3.635 -0.864 8.368 1.00 0.36 C ATOM 738 C ARG A 51 -4.779 -0.026 7.783 1.00 0.33 C ATOM 739 O ARG A 51 -5.591 0.560 8.516 1.00 0.42 O ATOM 740 CB ARG A 51 -2.320 -0.103 8.269 1.00 0.44 C ATOM 741 CG ARG A 51 -2.359 1.279 8.856 1.00 0.54 C ATOM 742 CD ARG A 51 -1.019 1.955 8.755 1.00 0.88 C ATOM 743 NE ARG A 51 -1.100 3.327 9.264 1.00 1.06 N ATOM 744 CZ ARG A 51 -0.424 3.806 10.314 1.00 1.91 C ATOM 745 NH1 ARG A 51 0.543 3.105 10.871 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.684 5.015 10.757 1.00 2.00 N ATOM 0 H ARG A 51 -2.590 -2.258 7.233 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.872 -1.061 9.414 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.543 -0.677 8.773 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -2.033 -0.031 7.220 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -3.109 1.875 8.337 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.663 1.224 9.901 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.277 1.393 9.322 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.686 1.964 7.717 1.00 0.88 H new ATOM 0 HE ARG A 51 -1.724 3.970 8.777 1.00 1.06 H new ATOM 0 HH11 ARG A 51 0.784 2.185 10.502 1.00 2.92 H new ATOM 0 HH12 ARG A 51 1.051 3.482 11.671 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -1.398 5.583 10.301 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -0.172 5.386 11.557 1.00 2.00 H new ATOM 760 N LEU A 52 -4.860 -0.018 6.480 1.00 0.28 N ATOM 761 CA LEU A 52 -5.841 0.768 5.775 1.00 0.30 C ATOM 762 C LEU A 52 -7.191 0.039 5.772 1.00 0.30 C ATOM 763 O LEU A 52 -8.237 0.655 6.010 1.00 0.37 O ATOM 764 CB LEU A 52 -5.320 1.067 4.367 1.00 0.31 C ATOM 765 CG LEU A 52 -3.941 1.769 4.340 1.00 0.35 C ATOM 766 CD1 LEU A 52 -3.426 1.924 2.929 1.00 0.41 C ATOM 767 CD2 LEU A 52 -4.007 3.128 5.029 1.00 0.40 C ATOM 0 H LEU A 52 -4.245 -0.559 5.872 1.00 0.28 H new ATOM 0 HA LEU A 52 -6.004 1.723 6.275 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -5.251 0.132 3.811 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -6.045 1.694 3.848 1.00 0.31 H new ATOM 0 HG LEU A 52 -3.244 1.134 4.887 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -2.456 2.421 2.948 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -3.321 0.941 2.470 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -4.129 2.522 2.349 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -3.025 3.601 4.996 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.732 3.761 4.517 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -4.311 2.995 6.067 1.00 0.40 H new ATOM 779 N GLU A 53 -7.135 -1.274 5.550 1.00 0.27 N ATOM 780 CA GLU A 53 -8.283 -2.194 5.622 1.00 0.30 C ATOM 781 C GLU A 53 -9.110 -1.943 6.873 1.00 0.33 C ATOM 782 O GLU A 53 -10.317 -1.681 6.803 1.00 0.35 O ATOM 783 CB GLU A 53 -7.762 -3.630 5.701 1.00 0.33 C ATOM 784 CG GLU A 53 -7.322 -4.235 4.400 1.00 0.37 C ATOM 785 CD GLU A 53 -8.442 -4.939 3.720 1.00 0.58 C ATOM 786 OE1 GLU A 53 -8.662 -6.142 4.013 1.00 0.91 O ATOM 787 OE2 GLU A 53 -9.120 -4.343 2.927 1.00 0.71 O ATOM 0 H GLU A 53 -6.265 -1.747 5.307 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.900 -2.034 4.738 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -6.922 -3.654 6.395 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.545 -4.258 6.126 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -6.932 -3.454 3.747 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.507 -4.936 4.581 1.00 0.37 H new ATOM 794 N SER A 54 -8.428 -1.985 8.003 1.00 0.37 N ATOM 795 CA SER A 54 -9.037 -1.845 9.305 1.00 0.44 C ATOM 796 C SER A 54 -9.696 -0.463 9.492 1.00 0.43 C ATOM 797 O SER A 54 -10.784 -0.364 10.056 1.00 0.52 O ATOM 798 CB SER A 54 -7.974 -2.095 10.380 1.00 0.54 C ATOM 799 OG SER A 54 -7.317 -3.345 10.154 1.00 1.44 O ATOM 0 H SER A 54 -7.418 -2.120 8.038 1.00 0.37 H new ATOM 0 HA SER A 54 -9.835 -2.582 9.396 1.00 0.44 H new ATOM 0 HB2 SER A 54 -7.243 -1.287 10.372 1.00 0.54 H new ATOM 0 HB3 SER A 54 -8.438 -2.095 11.366 1.00 0.54 H new ATOM 0 HG SER A 54 -6.688 -3.254 9.408 1.00 1.44 H new ATOM 805 N ARG A 55 -9.065 0.585 8.975 1.00 0.44 N ATOM 806 CA ARG A 55 -9.587 1.937 9.157 1.00 0.50 C ATOM 807 C ARG A 55 -10.776 2.217 8.240 1.00 0.50 C ATOM 808 O ARG A 55 -11.793 2.755 8.668 1.00 0.62 O ATOM 809 CB ARG A 55 -8.504 3.003 8.916 1.00 0.59 C ATOM 810 CG ARG A 55 -9.025 4.430 9.095 1.00 0.97 C ATOM 811 CD ARG A 55 -7.990 5.478 8.751 1.00 1.13 C ATOM 812 NE ARG A 55 -8.531 6.837 8.912 1.00 1.24 N ATOM 813 CZ ARG A 55 -8.035 7.949 8.342 1.00 1.64 C ATOM 814 NH1 ARG A 55 -7.022 7.871 7.495 1.00 1.93 N ATOM 815 NH2 ARG A 55 -8.574 9.133 8.608 1.00 2.25 N ATOM 0 H ARG A 55 -8.203 0.528 8.433 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.919 1.995 10.193 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -7.676 2.835 9.604 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -8.108 2.890 7.907 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -9.904 4.573 8.466 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -9.346 4.568 10.127 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -7.117 5.354 9.391 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -7.654 5.337 7.724 1.00 1.13 H new ATOM 0 HE ARG A 55 -9.353 6.945 9.507 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -6.613 6.964 7.271 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -6.650 8.718 7.066 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -9.367 9.201 9.246 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -8.195 9.975 8.174 1.00 2.25 H new ATOM 829 N TYR A 56 -10.651 1.841 6.989 1.00 0.42 N ATOM 830 CA TYR A 56 -11.662 2.186 6.007 1.00 0.44 C ATOM 831 C TYR A 56 -12.789 1.169 5.947 1.00 0.43 C ATOM 832 O TYR A 56 -13.814 1.409 5.311 1.00 0.52 O ATOM 833 CB TYR A 56 -11.017 2.429 4.638 1.00 0.44 C ATOM 834 CG TYR A 56 -10.029 3.583 4.664 1.00 0.49 C ATOM 835 CD1 TYR A 56 -10.477 4.893 4.684 1.00 0.62 C ATOM 836 CD2 TYR A 56 -8.657 3.363 4.708 1.00 0.48 C ATOM 837 CE1 TYR A 56 -9.590 5.948 4.736 1.00 0.71 C ATOM 838 CE2 TYR A 56 -7.767 4.414 4.770 1.00 0.55 C ATOM 839 CZ TYR A 56 -8.241 5.706 4.780 1.00 0.69 C ATOM 840 OH TYR A 56 -7.360 6.770 4.857 1.00 0.77 O ATOM 0 H TYR A 56 -9.867 1.300 6.625 1.00 0.42 H new ATOM 0 HA TYR A 56 -12.130 3.118 6.325 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.506 1.523 4.314 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.795 2.636 3.904 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -11.538 5.092 4.658 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -8.282 2.350 4.693 1.00 0.48 H new ATOM 0 HE1 TYR A 56 -9.958 6.964 4.742 1.00 0.71 H new ATOM 0 HE2 TYR A 56 -6.704 4.225 4.810 1.00 0.55 H new ATOM 0 HH TYR A 56 -6.440 6.432 4.881 1.00 0.77 H new ATOM 850 N GLY A 57 -12.600 0.047 6.622 1.00 0.38 N ATOM 851 CA GLY A 57 -13.626 -0.976 6.686 1.00 0.41 C ATOM 852 C GLY A 57 -13.814 -1.664 5.359 1.00 0.39 C ATOM 853 O GLY A 57 -14.945 -1.762 4.842 1.00 0.51 O ATOM 0 H GLY A 57 -11.746 -0.177 7.132 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.357 -1.713 7.443 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.568 -0.527 6.999 1.00 0.41 H new ATOM 857 N VAL A 58 -12.727 -2.124 4.793 1.00 0.34 N ATOM 858 CA VAL A 58 -12.760 -2.769 3.510 1.00 0.36 C ATOM 859 C VAL A 58 -12.325 -4.212 3.641 1.00 0.39 C ATOM 860 O VAL A 58 -12.035 -4.653 4.764 1.00 0.42 O ATOM 861 CB VAL A 58 -11.969 -1.990 2.421 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.651 -0.670 2.149 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.549 -1.712 2.868 1.00 0.34 C ATOM 0 H VAL A 58 -11.798 -2.061 5.209 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.792 -2.764 3.158 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.944 -2.604 1.521 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.096 -0.124 1.386 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.667 -0.851 1.799 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.682 -0.081 3.066 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -10.022 -1.166 2.086 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.565 -1.115 3.780 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -10.037 -2.655 3.061 1.00 0.34 H new ATOM 873 N SER A 59 -12.361 -4.972 2.568 1.00 0.43 N ATOM 874 CA SER A 59 -11.966 -6.363 2.615 1.00 0.49 C ATOM 875 C SER A 59 -11.128 -6.751 1.391 1.00 0.45 C ATOM 876 O SER A 59 -11.658 -6.902 0.270 1.00 0.56 O ATOM 877 CB SER A 59 -13.207 -7.241 2.707 1.00 0.67 C ATOM 878 OG SER A 59 -14.009 -6.862 3.822 1.00 1.48 O ATOM 0 H SER A 59 -12.661 -4.648 1.649 1.00 0.43 H new ATOM 0 HA SER A 59 -11.345 -6.514 3.498 1.00 0.49 H new ATOM 0 HB2 SER A 59 -13.788 -7.156 1.789 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.913 -8.286 2.802 1.00 0.67 H new ATOM 0 HG SER A 59 -14.802 -7.436 3.864 1.00 1.48 H new ATOM 884 N ILE A 60 -9.847 -6.863 1.592 1.00 0.39 N ATOM 885 CA ILE A 60 -8.915 -7.260 0.568 1.00 0.43 C ATOM 886 C ILE A 60 -8.128 -8.473 1.060 1.00 0.35 C ATOM 887 O ILE A 60 -7.634 -8.481 2.190 1.00 0.42 O ATOM 888 CB ILE A 60 -7.929 -6.105 0.245 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.701 -4.874 -0.238 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.891 -6.534 -0.798 1.00 0.71 C ATOM 891 CD1 ILE A 60 -7.854 -3.641 -0.348 1.00 1.01 C ATOM 0 H ILE A 60 -9.407 -6.677 2.493 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.468 -7.508 -0.338 1.00 0.43 H new ATOM 0 HB ILE A 60 -7.393 -5.850 1.159 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -9.142 -5.090 -1.211 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -9.525 -4.679 0.449 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -6.216 -5.703 -1.002 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.320 -7.380 -0.416 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.398 -6.824 -1.718 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -8.466 -2.809 -0.695 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -7.434 -3.400 0.629 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -7.045 -3.817 -1.057 1.00 1.01 H new ATOM 903 N PRO A 61 -8.070 -9.543 0.257 1.00 0.43 N ATOM 904 CA PRO A 61 -7.282 -10.728 0.587 1.00 0.50 C ATOM 905 C PRO A 61 -5.803 -10.383 0.756 1.00 0.46 C ATOM 906 O PRO A 61 -5.217 -9.677 -0.087 1.00 0.40 O ATOM 907 CB PRO A 61 -7.458 -11.622 -0.647 1.00 0.63 C ATOM 908 CG PRO A 61 -8.738 -11.179 -1.245 1.00 0.74 C ATOM 909 CD PRO A 61 -8.798 -9.703 -1.012 1.00 0.63 C ATOM 0 HA PRO A 61 -7.601 -11.189 1.522 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -6.630 -11.501 -1.346 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.492 -12.676 -0.372 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -8.775 -11.410 -2.310 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.584 -11.685 -0.780 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.326 -9.146 -1.822 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.825 -9.347 -0.937 1.00 0.63 H new ATOM 917 N ASP A 62 -5.200 -10.901 1.816 1.00 0.61 N ATOM 918 CA ASP A 62 -3.767 -10.680 2.118 1.00 0.72 C ATOM 919 C ASP A 62 -2.931 -11.227 0.977 1.00 0.66 C ATOM 920 O ASP A 62 -1.859 -10.699 0.649 1.00 0.67 O ATOM 921 CB ASP A 62 -3.360 -11.374 3.429 1.00 1.04 C ATOM 922 CG ASP A 62 -4.155 -10.918 4.635 1.00 1.22 C ATOM 923 OD1 ASP A 62 -5.309 -11.344 4.788 1.00 1.74 O ATOM 924 OD2 ASP A 62 -3.643 -10.139 5.448 1.00 1.73 O ATOM 0 H ASP A 62 -5.678 -11.488 2.499 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.598 -9.609 2.234 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.481 -12.451 3.312 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -2.301 -11.190 3.613 1.00 1.04 H new ATOM 929 N ASP A 63 -3.471 -12.276 0.363 1.00 0.68 N ATOM 930 CA ASP A 63 -2.907 -12.925 -0.819 1.00 0.73 C ATOM 931 C ASP A 63 -2.688 -11.912 -1.935 1.00 0.63 C ATOM 932 O ASP A 63 -1.617 -11.834 -2.517 1.00 0.78 O ATOM 933 CB ASP A 63 -3.878 -14.016 -1.310 1.00 0.92 C ATOM 934 CG ASP A 63 -3.424 -14.718 -2.581 1.00 1.41 C ATOM 935 OD1 ASP A 63 -3.766 -14.255 -3.686 1.00 2.17 O ATOM 936 OD2 ASP A 63 -2.692 -15.724 -2.504 1.00 1.81 O ATOM 0 H ASP A 63 -4.337 -12.711 0.682 1.00 0.68 H new ATOM 0 HA ASP A 63 -1.947 -13.366 -0.552 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -4.004 -14.758 -0.522 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -4.856 -13.567 -1.484 1.00 0.92 H new ATOM 941 N VAL A 64 -3.701 -11.102 -2.177 1.00 0.48 N ATOM 942 CA VAL A 64 -3.682 -10.135 -3.258 1.00 0.44 C ATOM 943 C VAL A 64 -2.881 -8.887 -2.853 1.00 0.38 C ATOM 944 O VAL A 64 -2.210 -8.266 -3.683 1.00 0.41 O ATOM 945 CB VAL A 64 -5.128 -9.739 -3.685 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.119 -8.766 -4.856 1.00 0.57 C ATOM 947 CG2 VAL A 64 -5.935 -10.978 -4.042 1.00 0.58 C ATOM 0 H VAL A 64 -4.561 -11.096 -1.629 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.193 -10.600 -4.114 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.596 -9.240 -2.837 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.144 -8.512 -5.126 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.584 -7.860 -4.572 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.623 -9.228 -5.709 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -6.942 -10.684 -4.338 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.453 -11.501 -4.868 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.990 -11.638 -3.177 1.00 0.58 H new ATOM 957 N ALA A 65 -2.925 -8.563 -1.564 1.00 0.36 N ATOM 958 CA ALA A 65 -2.224 -7.407 -1.005 1.00 0.36 C ATOM 959 C ALA A 65 -0.731 -7.479 -1.281 1.00 0.38 C ATOM 960 O ALA A 65 -0.110 -6.496 -1.664 1.00 0.46 O ATOM 961 CB ALA A 65 -2.457 -7.325 0.489 1.00 0.42 C ATOM 0 H ALA A 65 -3.451 -9.097 -0.872 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.622 -6.514 -1.487 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.930 -6.460 0.893 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.524 -7.224 0.686 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.085 -8.232 0.966 1.00 0.42 H new ATOM 967 N GLY A 66 -0.172 -8.659 -1.118 1.00 0.39 N ATOM 968 CA GLY A 66 1.236 -8.835 -1.342 1.00 0.46 C ATOM 969 C GLY A 66 1.537 -9.313 -2.748 1.00 0.48 C ATOM 970 O GLY A 66 2.683 -9.625 -3.079 1.00 0.77 O ATOM 0 H GLY A 66 -0.671 -9.502 -0.833 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.751 -7.891 -1.163 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.629 -9.554 -0.624 1.00 0.46 H new ATOM 974 N ARG A 67 0.527 -9.345 -3.583 1.00 0.36 N ATOM 975 CA ARG A 67 0.664 -9.861 -4.931 1.00 0.41 C ATOM 976 C ARG A 67 0.813 -8.700 -5.920 1.00 0.37 C ATOM 977 O ARG A 67 0.937 -8.903 -7.125 1.00 0.47 O ATOM 978 CB ARG A 67 -0.578 -10.681 -5.275 1.00 0.55 C ATOM 979 CG ARG A 67 -0.478 -11.523 -6.530 1.00 1.14 C ATOM 980 CD ARG A 67 -1.833 -12.070 -6.905 1.00 1.95 C ATOM 981 NE ARG A 67 -2.754 -10.985 -7.263 1.00 2.92 N ATOM 982 CZ ARG A 67 -3.996 -11.136 -7.718 1.00 4.03 C ATOM 983 NH1 ARG A 67 -4.587 -12.327 -7.688 1.00 4.35 N ATOM 984 NH2 ARG A 67 -4.662 -10.076 -8.156 1.00 5.04 N ATOM 0 H ARG A 67 -0.411 -9.017 -3.353 1.00 0.36 H new ATOM 0 HA ARG A 67 1.550 -10.492 -4.996 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.802 -11.338 -4.435 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.423 -10.001 -5.382 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.082 -10.922 -7.348 1.00 1.14 H new ATOM 0 HG3 ARG A 67 0.221 -12.344 -6.370 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -1.732 -12.759 -7.744 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.243 -12.640 -6.072 1.00 1.95 H new ATOM 0 HE ARG A 67 -2.412 -10.030 -7.153 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -4.088 -13.134 -7.314 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -5.539 -12.433 -8.039 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -4.222 -9.156 -8.142 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -5.614 -10.181 -8.507 1.00 5.04 H new ATOM 998 N VAL A 68 0.795 -7.485 -5.404 1.00 0.37 N ATOM 999 CA VAL A 68 0.901 -6.301 -6.249 1.00 0.38 C ATOM 1000 C VAL A 68 2.328 -6.077 -6.771 1.00 0.42 C ATOM 1001 O VAL A 68 3.240 -6.850 -6.463 1.00 0.75 O ATOM 1002 CB VAL A 68 0.335 -5.019 -5.586 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.159 -5.163 -5.342 1.00 0.42 C ATOM 1004 CG2 VAL A 68 1.051 -4.721 -4.282 1.00 0.43 C ATOM 0 H VAL A 68 0.708 -7.288 -4.407 1.00 0.37 H new ATOM 0 HA VAL A 68 0.267 -6.509 -7.111 1.00 0.38 H new ATOM 0 HB VAL A 68 0.502 -4.185 -6.267 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.541 -4.255 -4.876 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.669 -5.326 -6.292 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.340 -6.012 -4.683 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.635 -3.817 -3.837 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.919 -5.557 -3.595 1.00 0.43 H new ATOM 0 HG23 VAL A 68 2.114 -4.574 -4.476 1.00 0.43 H new ATOM 1014 N ASP A 69 2.528 -5.039 -7.550 1.00 0.35 N ATOM 1015 CA ASP A 69 3.848 -4.779 -8.123 1.00 0.42 C ATOM 1016 C ASP A 69 4.342 -3.380 -7.818 1.00 0.33 C ATOM 1017 O ASP A 69 5.389 -3.205 -7.217 1.00 0.34 O ATOM 1018 CB ASP A 69 3.850 -5.036 -9.628 1.00 0.62 C ATOM 1019 CG ASP A 69 5.183 -4.735 -10.282 1.00 1.22 C ATOM 1020 OD1 ASP A 69 6.164 -5.435 -9.984 1.00 1.32 O ATOM 1021 OD2 ASP A 69 5.285 -3.741 -11.051 1.00 2.03 O ATOM 0 H ASP A 69 1.809 -4.362 -7.805 1.00 0.35 H new ATOM 0 HA ASP A 69 4.541 -5.475 -7.650 1.00 0.42 H new ATOM 0 HB2 ASP A 69 3.589 -6.078 -9.813 1.00 0.62 H new ATOM 0 HB3 ASP A 69 3.077 -4.426 -10.095 1.00 0.62 H new ATOM 1026 N THR A 70 3.602 -2.395 -8.221 1.00 0.30 N ATOM 1027 CA THR A 70 3.981 -1.029 -7.976 1.00 0.28 C ATOM 1028 C THR A 70 3.089 -0.461 -6.866 1.00 0.26 C ATOM 1029 O THR A 70 2.036 -1.057 -6.559 1.00 0.27 O ATOM 1030 CB THR A 70 3.780 -0.189 -9.266 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.402 -0.229 -9.642 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.625 -0.735 -10.415 1.00 0.35 C ATOM 0 H THR A 70 2.723 -2.508 -8.726 1.00 0.30 H new ATOM 0 HA THR A 70 5.029 -0.988 -7.678 1.00 0.28 H new ATOM 0 HB THR A 70 4.091 0.835 -9.062 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.314 0.013 -10.588 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.464 -0.127 -11.306 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.679 -0.703 -10.139 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.336 -1.765 -10.622 1.00 0.35 H new ATOM 1040 N PRO A 71 3.484 0.665 -6.211 1.00 0.26 N ATOM 1041 CA PRO A 71 2.619 1.356 -5.243 1.00 0.26 C ATOM 1042 C PRO A 71 1.301 1.746 -5.894 1.00 0.24 C ATOM 1043 O PRO A 71 0.270 1.805 -5.238 1.00 0.25 O ATOM 1044 CB PRO A 71 3.428 2.599 -4.873 1.00 0.30 C ATOM 1045 CG PRO A 71 4.834 2.181 -5.084 1.00 0.32 C ATOM 1046 CD PRO A 71 4.805 1.308 -6.300 1.00 0.29 C ATOM 0 HA PRO A 71 2.362 0.742 -4.379 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.165 3.449 -5.502 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.250 2.899 -3.840 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.483 3.044 -5.234 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.218 1.640 -4.219 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.911 1.888 -7.217 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.612 0.576 -6.291 1.00 0.29 H new ATOM 1054 N ARG A 72 1.360 1.976 -7.207 1.00 0.24 N ATOM 1055 CA ARG A 72 0.177 2.272 -8.009 1.00 0.27 C ATOM 1056 C ARG A 72 -0.843 1.130 -7.888 1.00 0.23 C ATOM 1057 O ARG A 72 -2.032 1.368 -7.660 1.00 0.27 O ATOM 1058 CB ARG A 72 0.554 2.421 -9.477 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.621 2.794 -10.352 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.301 2.685 -11.828 1.00 0.72 C ATOM 1061 NE ARG A 72 0.858 3.489 -12.232 1.00 0.79 N ATOM 1062 CZ ARG A 72 0.794 4.690 -12.804 1.00 1.57 C ATOM 1063 NH1 ARG A 72 -0.335 5.383 -12.795 1.00 2.55 N ATOM 1064 NH2 ARG A 72 1.882 5.208 -13.346 1.00 1.67 N ATOM 0 H ARG A 72 2.229 1.962 -7.741 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.255 3.203 -7.641 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.328 3.183 -9.573 1.00 0.36 H new ATOM 0 HB3 ARG A 72 0.983 1.485 -9.833 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.465 2.145 -10.117 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -0.930 3.814 -10.125 1.00 0.53 H new ATOM 0 HD2 ARG A 72 -0.114 1.640 -12.076 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.171 2.998 -12.405 1.00 0.72 H new ATOM 0 HE ARG A 72 1.784 3.098 -12.062 1.00 0.79 H new ATOM 0 HH11 ARG A 72 -1.166 4.998 -12.347 1.00 2.55 H new ATOM 0 HH12 ARG A 72 -0.373 6.302 -13.236 1.00 2.55 H new ATOM 0 HH21 ARG A 72 2.760 4.689 -13.324 1.00 1.67 H new ATOM 0 HH22 ARG A 72 1.844 6.127 -13.787 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.348 -0.102 -8.037 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.173 -1.306 -7.952 1.00 0.24 C ATOM 1080 C GLU A 73 -1.851 -1.385 -6.593 1.00 0.21 C ATOM 1081 O GLU A 73 -3.058 -1.575 -6.504 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.316 -2.558 -8.142 1.00 0.32 C ATOM 1083 CG GLU A 73 0.438 -2.639 -9.456 1.00 0.44 C ATOM 1084 CD GLU A 73 -0.464 -2.688 -10.655 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -0.972 -3.773 -10.980 1.00 1.49 O ATOM 1086 OE2 GLU A 73 -0.692 -1.638 -11.281 1.00 2.08 O ATOM 0 H GLU A 73 0.638 -0.291 -8.220 1.00 0.21 H new ATOM 0 HA GLU A 73 -1.925 -1.254 -8.740 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.404 -2.612 -7.326 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -0.959 -3.434 -8.057 1.00 0.32 H new ATOM 0 HG2 GLU A 73 1.099 -1.776 -9.542 1.00 0.44 H new ATOM 0 HG3 GLU A 73 1.071 -3.526 -9.450 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.061 -1.195 -5.544 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.548 -1.276 -4.171 1.00 0.21 C ATOM 1095 C LEU A 74 -2.597 -0.174 -3.935 1.00 0.19 C ATOM 1096 O LEU A 74 -3.643 -0.415 -3.318 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.335 -1.169 -3.193 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.534 -1.540 -1.691 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.379 -0.530 -0.937 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.126 -2.939 -1.551 1.00 0.88 C ATOM 0 H LEU A 74 -0.067 -0.981 -5.620 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.037 -2.233 -3.987 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.460 -1.804 -3.585 1.00 0.25 H new ATOM 0 HB3 LEU A 74 0.028 -0.142 -3.232 1.00 0.25 H new ATOM 0 HG LEU A 74 0.457 -1.523 -1.237 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.481 -0.844 0.102 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.898 0.447 -0.975 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.366 -0.467 -1.395 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.256 -3.175 -0.495 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.093 -2.977 -2.053 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.453 -3.666 -2.005 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.326 1.007 -4.475 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.215 2.152 -4.357 1.00 0.21 C ATOM 1114 C LEU A 75 -4.572 1.849 -4.983 1.00 0.20 C ATOM 1115 O LEU A 75 -5.606 2.043 -4.347 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.588 3.382 -5.029 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.362 4.699 -4.905 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.529 5.089 -3.445 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.651 5.804 -5.673 1.00 0.37 C ATOM 0 H LEU A 75 -1.478 1.197 -5.010 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.363 2.363 -3.298 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.593 3.530 -4.609 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.457 3.162 -6.088 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.353 4.557 -5.336 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.081 6.027 -3.380 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.078 4.307 -2.920 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.548 5.213 -2.987 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.212 6.733 -5.576 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.648 5.941 -5.268 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.583 5.530 -6.726 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.559 1.335 -6.210 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.804 1.025 -6.925 1.00 0.25 C ATOM 1133 C ASP A 76 -6.540 -0.119 -6.258 1.00 0.23 C ATOM 1134 O ASP A 76 -7.757 -0.094 -6.146 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.549 0.680 -8.394 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.843 0.437 -9.164 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -7.430 1.411 -9.683 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -7.282 -0.726 -9.287 1.00 1.07 O ATOM 0 H ASP A 76 -3.708 1.124 -6.731 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.421 1.923 -6.887 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.996 1.492 -8.865 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.921 -0.209 -8.453 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.788 -1.105 -5.798 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.343 -2.262 -5.106 1.00 0.23 C ATOM 1145 C LEU A 77 -7.167 -1.829 -3.897 1.00 0.26 C ATOM 1146 O LEU A 77 -8.310 -2.274 -3.710 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.218 -3.205 -4.662 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.647 -4.441 -3.872 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.549 -5.341 -4.708 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.430 -5.202 -3.375 1.00 0.32 C ATOM 0 H LEU A 77 -4.773 -1.128 -5.893 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.998 -2.790 -5.799 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.678 -3.536 -5.549 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.514 -2.637 -4.054 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.221 -4.110 -3.007 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -6.839 -6.212 -4.121 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.441 -4.789 -5.003 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.013 -5.666 -5.600 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -4.753 -6.079 -2.814 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -3.826 -5.517 -4.226 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -3.836 -4.556 -2.728 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.605 -0.952 -3.099 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.299 -0.472 -1.938 1.00 0.29 C ATOM 1164 C ILE A 78 -8.374 0.564 -2.308 1.00 0.29 C ATOM 1165 O ILE A 78 -9.505 0.465 -1.845 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.335 0.039 -0.822 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.415 -1.112 -0.369 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.115 0.590 0.363 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.605 -0.823 0.878 1.00 0.34 C ATOM 0 H ILE A 78 -5.673 -0.561 -3.235 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.817 -1.329 -1.508 1.00 0.29 H new ATOM 0 HB ILE A 78 -5.729 0.848 -1.228 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.025 -1.998 -0.192 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -4.731 -1.353 -1.182 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.419 0.939 1.126 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -7.739 1.421 0.033 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -7.746 -0.195 0.780 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -3.988 -1.689 1.120 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -3.964 0.041 0.703 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.279 -0.613 1.709 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.051 1.511 -3.186 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.037 2.538 -3.602 1.00 0.32 C ATOM 1183 C ASN A 79 -10.221 1.965 -4.350 1.00 0.31 C ATOM 1184 O ASN A 79 -11.291 2.579 -4.398 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.426 3.719 -4.369 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.765 4.712 -3.449 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -8.137 4.823 -2.288 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -6.836 5.484 -3.953 1.00 0.89 N ATOM 0 H ASN A 79 -7.134 1.599 -3.624 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.408 2.937 -2.658 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.694 3.346 -5.085 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.206 4.220 -4.943 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -6.401 6.203 -3.374 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -6.547 5.367 -4.924 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.037 0.800 -4.933 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.129 0.108 -5.574 1.00 0.39 C ATOM 1197 C GLY A 80 -12.158 -0.335 -4.554 1.00 0.42 C ATOM 1198 O GLY A 80 -13.349 -0.348 -4.825 1.00 0.47 O ATOM 0 H GLY A 80 -9.141 0.314 -4.975 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.598 0.762 -6.310 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.749 -0.759 -6.114 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.684 -0.679 -3.371 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.537 -1.088 -2.270 1.00 0.51 C ATOM 1204 C ALA A 81 -13.047 0.141 -1.524 1.00 0.52 C ATOM 1205 O ALA A 81 -14.196 0.188 -1.077 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.775 -2.011 -1.335 1.00 0.56 C ATOM 0 H ALA A 81 -10.689 -0.683 -3.145 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.395 -1.633 -2.663 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.424 -2.312 -0.512 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.449 -2.895 -1.883 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.904 -1.489 -0.938 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.188 1.144 -1.421 1.00 0.46 N ATOM 1213 CA LEU A 82 -12.519 2.419 -0.781 1.00 0.54 C ATOM 1214 C LEU A 82 -13.533 3.219 -1.571 1.00 0.62 C ATOM 1215 O LEU A 82 -14.082 4.187 -1.076 1.00 0.84 O ATOM 1216 CB LEU A 82 -11.272 3.260 -0.507 1.00 0.55 C ATOM 1217 CG LEU A 82 -10.603 3.079 0.860 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -10.233 1.646 1.118 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -9.382 3.964 0.966 1.00 1.03 C ATOM 0 H LEU A 82 -11.234 1.101 -1.780 1.00 0.46 H new ATOM 0 HA LEU A 82 -12.975 2.164 0.175 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -10.535 3.036 -1.278 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -11.540 4.311 -0.618 1.00 0.55 H new ATOM 0 HG LEU A 82 -11.326 3.372 1.621 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.762 1.563 2.097 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -11.131 1.028 1.093 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -9.538 1.306 0.351 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -8.916 3.826 1.942 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -8.671 3.698 0.184 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -9.677 5.007 0.849 1.00 1.03 H new ATOM 1231 N ALA A 83 -13.803 2.795 -2.784 1.00 0.53 N ATOM 1232 CA ALA A 83 -14.811 3.430 -3.603 1.00 0.66 C ATOM 1233 C ALA A 83 -16.201 3.185 -3.009 1.00 0.86 C ATOM 1234 O ALA A 83 -17.159 3.911 -3.300 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.730 2.921 -5.024 1.00 0.64 C ATOM 0 H ALA A 83 -13.334 2.006 -3.229 1.00 0.53 H new ATOM 0 HA ALA A 83 -14.631 4.505 -3.619 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.495 3.408 -5.629 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.745 3.145 -5.435 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.891 1.843 -5.034 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.303 2.159 -2.175 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.529 1.853 -1.473 1.00 1.18 C ATOM 1243 C GLU A 84 -17.428 2.311 -0.014 1.00 1.28 C ATOM 1244 O GLU A 84 -18.358 2.134 0.769 1.00 1.63 O ATOM 1245 CB GLU A 84 -17.848 0.343 -1.506 1.00 1.30 C ATOM 1246 CG GLU A 84 -18.244 -0.251 -2.862 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.141 -0.291 -3.888 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -16.264 -1.162 -3.794 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -17.187 0.497 -4.861 1.00 2.66 O ATOM 0 H GLU A 84 -15.535 1.519 -1.970 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.334 2.385 -1.979 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -16.974 -0.197 -1.141 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -18.658 0.152 -0.802 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -18.609 -1.266 -2.704 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -19.075 0.328 -3.266 1.00 1.61 H new ATOM 1256 N ALA A 85 -16.314 2.916 0.341 1.00 1.13 N ATOM 1257 CA ALA A 85 -16.067 3.314 1.716 1.00 1.33 C ATOM 1258 C ALA A 85 -16.321 4.795 1.904 1.00 1.71 C ATOM 1259 O ALA A 85 -15.672 5.635 1.278 1.00 2.30 O ATOM 1260 CB ALA A 85 -14.644 2.955 2.132 1.00 1.30 C ATOM 0 H ALA A 85 -15.559 3.145 -0.306 1.00 1.13 H new ATOM 0 HA ALA A 85 -16.760 2.768 2.356 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -14.479 3.261 3.165 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -14.500 1.878 2.045 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -13.935 3.469 1.483 1.00 1.30 H new ATOM 1266 N ALA A 86 -17.257 5.114 2.752 1.00 2.12 N ATOM 1267 CA ALA A 86 -17.610 6.480 3.025 1.00 2.78 C ATOM 1268 C ALA A 86 -18.084 6.596 4.456 1.00 3.16 C ATOM 1269 O ALA A 86 -19.308 6.573 4.701 1.00 3.59 O ATOM 1270 CB ALA A 86 -18.687 6.964 2.056 1.00 3.57 C ATOM 1271 OXT ALA A 86 -17.235 6.678 5.367 1.00 3.56 O ATOM 0 H ALA A 86 -17.801 4.430 3.277 1.00 2.12 H new ATOM 0 HA ALA A 86 -16.733 7.112 2.886 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -18.939 8.000 2.281 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -18.315 6.894 1.034 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -19.577 6.343 2.161 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 5.668 -11.948 0.670 1.00 0.90 P HETATM 1279 O26 SXD A 87 6.517 -11.335 1.818 1.00 1.54 O HETATM 1280 O23 SXD A 87 6.166 -13.262 -0.004 1.00 1.52 O HETATM 1281 O27 SXD A 87 4.227 -12.144 1.127 1.00 1.03 O HETATM 1282 C28 SXD A 87 3.924 -13.017 2.255 1.00 0.94 C HETATM 1283 C29 SXD A 87 2.410 -13.274 2.324 1.00 1.31 C HETATM 1284 C30 SXD A 87 2.143 -13.922 3.681 1.00 1.48 C HETATM 1285 C31 SXD A 87 1.645 -11.943 2.231 1.00 1.80 C HETATM 1286 C32 SXD A 87 1.973 -14.232 1.098 1.00 2.11 C HETATM 1287 O33 SXD A 87 2.396 -13.699 -0.158 1.00 2.59 O HETATM 1288 C34 SXD A 87 0.467 -14.381 0.981 1.00 2.68 C HETATM 1289 O35 SXD A 87 -0.084 -13.998 -0.059 1.00 3.26 O HETATM 1290 N36 SXD A 87 -0.169 -14.899 1.984 1.00 2.90 N HETATM 1291 C37 SXD A 87 -1.606 -15.101 2.062 1.00 3.68 C HETATM 1292 C38 SXD A 87 -1.988 -15.388 3.491 1.00 4.14 C HETATM 1293 C39 SXD A 87 -3.366 -14.907 3.875 1.00 4.26 C HETATM 1294 O40 SXD A 87 -4.232 -14.616 3.032 1.00 4.93 O HETATM 1295 N41 SXD A 87 -3.539 -14.803 5.169 1.00 4.07 N HETATM 1296 C42 SXD A 87 -4.760 -14.334 5.802 1.00 4.66 C HETATM 1297 C43 SXD A 87 -4.774 -14.641 7.277 1.00 4.86 C HETATM 1298 S1 SXD A 87 -4.902 -16.409 7.589 1.00 5.53 S HETATM 1299 C1 SXD A 87 -4.866 -16.441 9.401 1.00 6.36 C HETATM 1300 C2 SXD A 87 -5.935 -15.590 10.054 1.00 6.96 C HETATM 1301 C3 SXD A 87 -5.966 -15.738 11.572 1.00 7.66 C HETATM 1302 O3 SXD A 87 -4.910 -15.731 12.251 1.00 8.05 O HETATM 1303 C4 SXD A 87 -7.312 -15.903 12.243 1.00 8.24 C HETATM 1304 C5 SXD A 87 -8.172 -14.653 12.254 1.00 8.87 C HETATM 1305 O5 SXD A 87 -8.602 -14.147 11.197 1.00 9.15 O HETATM 1306 C6 SXD A 87 -8.491 -14.036 13.594 1.00 9.45 C HETATM 0 HO33 SXD A 87 3.080 -13.013 -0.009 1.00 2.59 H new HETATM 0 HN41 SXD A 87 -2.763 -15.070 5.775 1.00 4.07 H new HETATM 0 HN36 SXD A 87 0.387 -15.190 2.788 1.00 2.90 H new HETATM 0 H43A SXD A 87 -3.864 -14.255 7.737 1.00 4.86 H new HETATM 0 H42A SXD A 87 -4.858 -13.259 5.653 1.00 4.66 H new HETATM 0 H38A SXD A 87 -1.931 -16.463 3.661 1.00 4.14 H new HETATM 0 H37A SXD A 87 -2.130 -14.215 1.704 1.00 3.68 H new HETATM 0 H31B SXD A 87 1.937 -11.297 3.059 1.00 1.80 H new HETATM 0 H31A SXD A 87 1.882 -11.452 1.287 1.00 1.80 H new HETATM 0 H30B SXD A 87 2.701 -14.856 3.754 1.00 1.48 H new HETATM 0 H30A SXD A 87 2.460 -13.247 4.475 1.00 1.48 H new HETATM 0 H28A SXD A 87 4.458 -13.961 2.149 1.00 0.94 H new HETATM 0 H6B SXD A 87 -9.027 -14.759 14.209 1.00 9.45 H new HETATM 0 H6A SXD A 87 -7.565 -13.751 14.093 1.00 9.45 H new HETATM 0 H6 SXD A 87 -9.111 -13.152 13.449 1.00 9.45 H new HETATM 0 H4A SXD A 87 -7.859 -16.700 11.739 1.00 8.24 H new HETATM 0 H43 SXD A 87 -5.612 -14.127 7.748 1.00 4.86 H new HETATM 0 H42 SXD A 87 -5.621 -14.802 5.324 1.00 4.66 H new HETATM 0 H4 SXD A 87 -7.153 -16.227 13.271 1.00 8.24 H new HETATM 0 H38 SXD A 87 -1.256 -14.922 4.151 1.00 4.14 H new HETATM 0 H37 SXD A 87 -1.904 -15.929 1.420 1.00 3.68 H new HETATM 0 H32 SXD A 87 2.443 -15.191 1.316 1.00 2.11 H new HETATM 0 H31 SXD A 87 0.573 -12.135 2.281 1.00 1.80 H new HETATM 0 H30 SXD A 87 1.077 -14.127 3.783 1.00 1.48 H new HETATM 0 H2A SXD A 87 -5.765 -14.544 9.799 1.00 6.96 H new HETATM 0 H28 SXD A 87 4.267 -12.559 3.183 1.00 0.94 H new HETATM 0 H2 SXD A 87 -6.909 -15.863 9.647 1.00 6.96 H new HETATM 0 H1A SXD A 87 -4.980 -17.471 9.738 1.00 6.36 H new HETATM 0 H1 SXD A 87 -3.888 -16.101 9.741 1.00 6.36 H new