USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 59:sc= 0.0883 USER MOD Single : A 6 THR OG1 : rot 116:sc= 1.23 USER MOD Single : A 7 THR OG1 : rot 101:sc= 0.129 USER MOD Single : A 17 SER OG : rot 79:sc= 0.593 USER MOD Single : A 21 THR OG1 : rot 102:sc= 0.00772 USER MOD Single : A 24 THR OG1 : rot 52:sc= 0.446 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -167:sc= -0.195 USER MOD Single : A 46 MET CE :methyl -142:sc= -0.0665 (180deg=-1.37) USER MOD Single : A 48 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 54 SER OG : rot -81:sc= 1.12 USER MOD Single : A 56 TYR OH : rot -130:sc= 0.693 USER MOD Single : A 59 SER OG : rot -1:sc= 0.453 USER MOD Single : A 70 THR OG1 : rot -78:sc= 0.738 USER MOD Single : A 79 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.600 -5.204 4.101 1.00 4.11 N ATOM 2 CA MET A 1 21.225 -5.698 4.113 1.00 3.57 C ATOM 3 C MET A 1 20.274 -4.526 4.112 1.00 2.82 C ATOM 4 O MET A 1 20.183 -3.792 5.098 1.00 3.20 O ATOM 5 CB MET A 1 20.977 -6.590 5.349 1.00 4.13 C ATOM 6 CG MET A 1 19.542 -7.102 5.490 1.00 4.73 C ATOM 7 SD MET A 1 18.995 -8.062 4.066 1.00 5.41 S ATOM 8 CE MET A 1 17.332 -8.509 4.587 1.00 6.05 C ATOM 0 H1 MET A 1 23.258 -6.009 4.102 1.00 4.11 H new ATOM 0 H2 MET A 1 22.755 -4.630 3.247 1.00 4.11 H new ATOM 0 H3 MET A 1 22.766 -4.620 4.945 1.00 4.11 H new ATOM 0 HA MET A 1 21.056 -6.303 3.222 1.00 3.57 H new ATOM 0 HB2 MET A 1 21.651 -7.446 5.304 1.00 4.13 H new ATOM 0 HB3 MET A 1 21.237 -6.026 6.245 1.00 4.13 H new ATOM 0 HG2 MET A 1 19.468 -7.717 6.387 1.00 4.73 H new ATOM 0 HG3 MET A 1 18.871 -6.254 5.629 1.00 4.73 H new ATOM 0 HE1 MET A 1 16.856 -9.108 3.811 1.00 6.05 H new ATOM 0 HE2 MET A 1 17.383 -9.086 5.511 1.00 6.05 H new ATOM 0 HE3 MET A 1 16.748 -7.604 4.756 1.00 6.05 H new ATOM 20 N ALA A 2 19.593 -4.331 3.012 1.00 2.27 N ATOM 21 CA ALA A 2 18.671 -3.229 2.875 1.00 2.03 C ATOM 22 C ALA A 2 17.338 -3.596 3.485 1.00 1.61 C ATOM 23 O ALA A 2 16.868 -4.738 3.325 1.00 2.08 O ATOM 24 CB ALA A 2 18.501 -2.870 1.410 1.00 2.71 C ATOM 0 H ALA A 2 19.660 -4.928 2.188 1.00 2.27 H new ATOM 0 HA ALA A 2 19.071 -2.362 3.401 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.803 -2.038 1.318 1.00 2.71 H new ATOM 0 HB2 ALA A 2 19.466 -2.583 0.991 1.00 2.71 H new ATOM 0 HB3 ALA A 2 18.112 -3.731 0.867 1.00 2.71 H new ATOM 30 N THR A 3 16.731 -2.658 4.158 1.00 1.31 N ATOM 31 CA THR A 3 15.452 -2.867 4.799 1.00 1.19 C ATOM 32 C THR A 3 14.327 -2.735 3.768 1.00 0.95 C ATOM 33 O THR A 3 13.566 -1.767 3.767 1.00 1.12 O ATOM 34 CB THR A 3 15.265 -1.848 5.944 1.00 1.56 C ATOM 35 OG1 THR A 3 15.586 -0.523 5.464 1.00 2.44 O ATOM 36 CG2 THR A 3 16.163 -2.189 7.124 1.00 2.02 C ATOM 0 H THR A 3 17.109 -1.718 4.281 1.00 1.31 H new ATOM 0 HA THR A 3 15.419 -3.871 5.222 1.00 1.19 H new ATOM 0 HB THR A 3 14.227 -1.884 6.275 1.00 1.56 H new ATOM 0 HG1 THR A 3 15.008 -0.302 4.704 1.00 2.44 H new ATOM 0 HG21 THR A 3 16.014 -1.457 7.918 1.00 2.02 H new ATOM 0 HG22 THR A 3 15.914 -3.183 7.495 1.00 2.02 H new ATOM 0 HG23 THR A 3 17.205 -2.171 6.805 1.00 2.02 H new ATOM 44 N LEU A 4 14.292 -3.674 2.851 1.00 0.80 N ATOM 45 CA LEU A 4 13.359 -3.652 1.766 1.00 0.65 C ATOM 46 C LEU A 4 12.023 -4.215 2.218 1.00 0.68 C ATOM 47 O LEU A 4 11.940 -5.364 2.677 1.00 0.86 O ATOM 48 CB LEU A 4 13.908 -4.443 0.571 1.00 0.70 C ATOM 49 CG LEU A 4 13.123 -4.314 -0.741 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.189 -2.883 -1.274 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.645 -5.298 -1.775 1.00 1.01 C ATOM 0 H LEU A 4 14.919 -4.479 2.844 1.00 0.80 H new ATOM 0 HA LEU A 4 13.210 -2.620 1.449 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.934 -4.123 0.390 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.947 -5.497 0.846 1.00 0.70 H new ATOM 0 HG LEU A 4 12.079 -4.552 -0.539 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.626 -2.815 -2.205 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.760 -2.201 -0.540 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.228 -2.611 -1.458 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.076 -5.191 -2.698 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.698 -5.095 -1.972 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.536 -6.315 -1.397 1.00 1.01 H new ATOM 63 N LEU A 5 11.007 -3.381 2.123 1.00 0.60 N ATOM 64 CA LEU A 5 9.647 -3.733 2.488 1.00 0.64 C ATOM 65 C LEU A 5 9.166 -4.824 1.524 1.00 0.59 C ATOM 66 O LEU A 5 9.091 -4.599 0.310 1.00 0.61 O ATOM 67 CB LEU A 5 8.770 -2.456 2.373 1.00 0.69 C ATOM 68 CG LEU A 5 7.384 -2.425 3.062 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.773 -1.063 2.889 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.423 -3.463 2.520 1.00 1.54 C ATOM 0 H LEU A 5 11.103 -2.424 1.785 1.00 0.60 H new ATOM 0 HA LEU A 5 9.584 -4.111 3.509 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.351 -1.623 2.768 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.613 -2.261 1.312 1.00 0.69 H new ATOM 0 HG LEU A 5 7.551 -2.655 4.114 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.797 -1.038 3.373 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.422 -0.313 3.341 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.657 -0.849 1.827 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.471 -3.387 3.046 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.264 -3.291 1.455 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.841 -4.459 2.668 1.00 1.54 H new ATOM 82 N THR A 6 8.882 -5.982 2.050 1.00 0.61 N ATOM 83 CA THR A 6 8.446 -7.086 1.244 1.00 0.63 C ATOM 84 C THR A 6 6.944 -7.384 1.398 1.00 0.57 C ATOM 85 O THR A 6 6.218 -6.651 2.090 1.00 0.59 O ATOM 86 CB THR A 6 9.313 -8.328 1.518 1.00 0.79 C ATOM 87 OG1 THR A 6 9.553 -8.419 2.930 1.00 0.95 O ATOM 88 CG2 THR A 6 10.639 -8.235 0.784 1.00 0.97 C ATOM 0 H THR A 6 8.946 -6.187 3.047 1.00 0.61 H new ATOM 0 HA THR A 6 8.581 -6.799 0.201 1.00 0.63 H new ATOM 0 HB THR A 6 8.787 -9.214 1.163 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.136 -9.233 3.281 1.00 0.95 H new ATOM 0 HG21 THR A 6 11.234 -9.124 0.993 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.457 -8.164 -0.288 1.00 0.97 H new ATOM 0 HG23 THR A 6 11.179 -7.350 1.119 1.00 0.97 H new ATOM 96 N THR A 7 6.501 -8.474 0.794 1.00 0.60 N ATOM 97 CA THR A 7 5.106 -8.873 0.762 1.00 0.59 C ATOM 98 C THR A 7 4.543 -9.069 2.189 1.00 0.53 C ATOM 99 O THR A 7 3.425 -8.647 2.485 1.00 0.56 O ATOM 100 CB THR A 7 5.020 -10.190 -0.017 1.00 0.69 C ATOM 101 OG1 THR A 7 6.155 -10.242 -0.922 1.00 0.90 O ATOM 102 CG2 THR A 7 3.734 -10.246 -0.835 1.00 0.81 C ATOM 0 H THR A 7 7.117 -9.121 0.301 1.00 0.60 H new ATOM 0 HA THR A 7 4.513 -8.094 0.284 1.00 0.59 H new ATOM 0 HB THR A 7 5.026 -11.030 0.678 1.00 0.69 H new ATOM 0 HG1 THR A 7 6.849 -10.821 -0.543 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.691 -11.188 -1.381 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.875 -10.174 -0.168 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.716 -9.416 -1.541 1.00 0.81 H new ATOM 110 N ASP A 8 5.353 -9.685 3.063 1.00 0.54 N ATOM 111 CA ASP A 8 4.963 -9.976 4.457 1.00 0.54 C ATOM 112 C ASP A 8 4.551 -8.717 5.225 1.00 0.52 C ATOM 113 O ASP A 8 3.530 -8.711 5.912 1.00 0.54 O ATOM 114 CB ASP A 8 6.079 -10.734 5.221 1.00 0.63 C ATOM 115 CG ASP A 8 7.398 -9.978 5.302 1.00 1.48 C ATOM 116 OD1 ASP A 8 8.187 -10.056 4.353 1.00 2.26 O ATOM 117 OD2 ASP A 8 7.667 -9.287 6.316 1.00 1.98 O ATOM 0 H ASP A 8 6.295 -9.996 2.827 1.00 0.54 H new ATOM 0 HA ASP A 8 4.089 -10.624 4.396 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.732 -10.948 6.232 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.251 -11.694 4.733 1.00 0.63 H new ATOM 122 N ASP A 9 5.308 -7.648 5.071 1.00 0.57 N ATOM 123 CA ASP A 9 5.008 -6.414 5.782 1.00 0.64 C ATOM 124 C ASP A 9 3.830 -5.716 5.168 1.00 0.59 C ATOM 125 O ASP A 9 2.944 -5.259 5.881 1.00 0.63 O ATOM 126 CB ASP A 9 6.203 -5.477 5.833 1.00 0.79 C ATOM 127 CG ASP A 9 5.896 -4.187 6.588 1.00 1.60 C ATOM 128 OD1 ASP A 9 5.629 -4.240 7.799 1.00 1.70 O ATOM 129 OD2 ASP A 9 5.909 -3.091 5.978 1.00 2.47 O ATOM 0 H ASP A 9 6.128 -7.605 4.467 1.00 0.57 H new ATOM 0 HA ASP A 9 4.762 -6.692 6.807 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.040 -5.985 6.312 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.516 -5.235 4.817 1.00 0.79 H new ATOM 134 N LEU A 10 3.792 -5.679 3.842 1.00 0.54 N ATOM 135 CA LEU A 10 2.686 -5.031 3.126 1.00 0.54 C ATOM 136 C LEU A 10 1.349 -5.679 3.483 1.00 0.53 C ATOM 137 O LEU A 10 0.349 -4.982 3.676 1.00 0.59 O ATOM 138 CB LEU A 10 2.873 -5.078 1.609 1.00 0.55 C ATOM 139 CG LEU A 10 1.783 -4.353 0.802 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.862 -2.841 1.002 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.846 -4.716 -0.669 1.00 0.65 C ATOM 0 H LEU A 10 4.507 -6.086 3.238 1.00 0.54 H new ATOM 0 HA LEU A 10 2.685 -3.988 3.441 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.840 -4.639 1.363 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.906 -6.121 1.293 1.00 0.55 H new ATOM 0 HG LEU A 10 0.818 -4.689 1.180 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.079 -2.356 0.419 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.727 -2.606 2.058 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.836 -2.481 0.672 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.061 -4.185 -1.209 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.818 -4.433 -1.072 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.703 -5.790 -0.785 1.00 0.65 H new ATOM 153 N ARG A 11 1.354 -7.006 3.594 1.00 0.49 N ATOM 154 CA ARG A 11 0.169 -7.779 3.963 1.00 0.50 C ATOM 155 C ARG A 11 -0.411 -7.301 5.297 1.00 0.54 C ATOM 156 O ARG A 11 -1.608 -7.187 5.449 1.00 0.63 O ATOM 157 CB ARG A 11 0.504 -9.285 3.997 1.00 0.51 C ATOM 158 CG ARG A 11 -0.609 -10.189 4.508 1.00 0.61 C ATOM 159 CD ARG A 11 -0.226 -11.654 4.370 1.00 0.72 C ATOM 160 NE ARG A 11 -1.123 -12.543 5.121 1.00 0.96 N ATOM 161 CZ ARG A 11 -1.369 -13.831 4.823 1.00 1.24 C ATOM 162 NH1 ARG A 11 -0.939 -14.360 3.678 1.00 1.65 N ATOM 163 NH2 ARG A 11 -2.059 -14.575 5.657 1.00 1.80 N ATOM 0 H ARG A 11 2.183 -7.578 3.430 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.598 -7.619 3.205 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.774 -9.603 2.990 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.384 -9.430 4.624 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.817 -9.961 5.553 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.525 -9.995 3.951 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -0.242 -11.933 3.316 1.00 0.72 H new ATOM 0 HD3 ARG A 11 0.796 -11.794 4.721 1.00 0.72 H new ATOM 0 HE ARG A 11 -1.598 -12.151 5.934 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.417 -13.787 3.016 1.00 1.65 H new ATOM 0 HH12 ARG A 11 -1.132 -15.338 3.464 1.00 1.65 H new ATOM 0 HH21 ARG A 11 -2.407 -14.176 6.529 1.00 1.80 H new ATOM 0 HH22 ARG A 11 -2.247 -15.552 5.433 1.00 1.80 H new ATOM 177 N ARG A 12 0.454 -6.990 6.228 1.00 0.54 N ATOM 178 CA ARG A 12 0.023 -6.509 7.530 1.00 0.60 C ATOM 179 C ARG A 12 -0.343 -5.041 7.429 1.00 0.58 C ATOM 180 O ARG A 12 -1.415 -4.627 7.840 1.00 0.66 O ATOM 181 CB ARG A 12 1.149 -6.660 8.543 1.00 0.68 C ATOM 182 CG ARG A 12 1.748 -8.040 8.588 1.00 0.80 C ATOM 183 CD ARG A 12 2.915 -8.078 9.526 1.00 0.96 C ATOM 184 NE ARG A 12 3.677 -9.308 9.376 1.00 1.50 N ATOM 185 CZ ARG A 12 4.988 -9.355 9.224 1.00 2.02 C ATOM 186 NH1 ARG A 12 5.712 -8.249 9.363 1.00 2.23 N ATOM 187 NH2 ARG A 12 5.573 -10.513 8.982 1.00 2.93 N ATOM 0 H ARG A 12 1.465 -7.059 6.115 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.839 -7.093 7.852 1.00 0.60 H new ATOM 0 HB2 ARG A 12 1.934 -5.941 8.309 1.00 0.68 H new ATOM 0 HB3 ARG A 12 0.770 -6.407 9.533 1.00 0.68 H new ATOM 0 HG2 ARG A 12 0.994 -8.759 8.908 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.068 -8.336 7.589 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.563 -7.222 9.338 1.00 0.96 H new ATOM 0 HD3 ARG A 12 2.561 -7.991 10.553 1.00 0.96 H new ATOM 0 HE ARG A 12 3.166 -10.191 9.389 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.255 -7.365 9.587 1.00 2.23 H new ATOM 0 HH12 ARG A 12 6.725 -8.284 9.246 1.00 2.23 H new ATOM 0 HH21 ARG A 12 5.013 -11.363 8.914 1.00 2.93 H new ATOM 0 HH22 ARG A 12 6.585 -10.558 8.863 1.00 2.93 H new ATOM 201 N ALA A 13 0.561 -4.274 6.827 1.00 0.54 N ATOM 202 CA ALA A 13 0.467 -2.816 6.717 1.00 0.58 C ATOM 203 C ALA A 13 -0.814 -2.346 6.079 1.00 0.56 C ATOM 204 O ALA A 13 -1.405 -1.352 6.531 1.00 0.65 O ATOM 205 CB ALA A 13 1.638 -2.264 5.944 1.00 0.66 C ATOM 0 H ALA A 13 1.401 -4.655 6.391 1.00 0.54 H new ATOM 0 HA ALA A 13 0.478 -2.439 7.740 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.549 -1.180 5.874 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.565 -2.520 6.457 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.647 -2.693 4.942 1.00 0.66 H new ATOM 211 N LEU A 14 -1.229 -3.025 5.030 1.00 0.53 N ATOM 212 CA LEU A 14 -2.435 -2.677 4.334 1.00 0.59 C ATOM 213 C LEU A 14 -3.623 -2.737 5.318 1.00 0.75 C ATOM 214 O LEU A 14 -4.418 -1.788 5.418 1.00 1.02 O ATOM 215 CB LEU A 14 -2.620 -3.641 3.154 1.00 0.54 C ATOM 216 CG LEU A 14 -3.655 -3.250 2.110 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.299 -1.918 1.486 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.756 -4.315 1.038 1.00 1.06 C ATOM 0 H LEU A 14 -0.737 -3.830 4.642 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.379 -1.662 3.940 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.658 -3.756 2.654 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.891 -4.619 3.552 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.622 -3.159 2.604 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.049 -1.653 0.741 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.268 -1.151 2.259 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.322 -1.990 1.007 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.501 -4.019 0.300 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.788 -4.433 0.550 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -4.051 -5.261 1.492 1.00 1.06 H new ATOM 230 N VAL A 15 -3.663 -3.809 6.101 1.00 0.71 N ATOM 231 CA VAL A 15 -4.705 -4.046 7.108 1.00 0.83 C ATOM 232 C VAL A 15 -4.662 -2.943 8.175 1.00 0.85 C ATOM 233 O VAL A 15 -5.691 -2.344 8.498 1.00 0.98 O ATOM 234 CB VAL A 15 -4.488 -5.413 7.805 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.591 -5.697 8.824 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.420 -6.535 6.785 1.00 0.91 C ATOM 0 H VAL A 15 -2.965 -4.552 6.058 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.671 -4.044 6.603 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.537 -5.363 8.335 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.411 -6.663 9.296 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.593 -4.916 9.585 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.557 -5.715 8.319 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.267 -7.484 7.298 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.353 -6.572 6.223 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.591 -6.355 6.101 1.00 0.91 H new ATOM 246 N GLU A 16 -3.467 -2.688 8.706 1.00 0.81 N ATOM 247 CA GLU A 16 -3.233 -1.657 9.750 1.00 0.87 C ATOM 248 C GLU A 16 -3.823 -0.308 9.321 1.00 0.89 C ATOM 249 O GLU A 16 -4.493 0.388 10.097 1.00 1.05 O ATOM 250 CB GLU A 16 -1.726 -1.443 9.955 1.00 0.91 C ATOM 251 CG GLU A 16 -0.912 -2.704 10.159 1.00 1.00 C ATOM 252 CD GLU A 16 -1.296 -3.473 11.378 1.00 1.30 C ATOM 253 OE1 GLU A 16 -2.237 -4.272 11.319 1.00 1.90 O ATOM 254 OE2 GLU A 16 -0.632 -3.315 12.417 1.00 1.91 O ATOM 0 H GLU A 16 -2.621 -3.187 8.431 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.707 -2.008 10.667 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.331 -0.912 9.089 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.583 -0.795 10.819 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.026 -3.345 9.285 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.143 -2.438 10.225 1.00 1.00 H new ATOM 261 N SER A 17 -3.607 0.015 8.070 1.00 0.82 N ATOM 262 CA SER A 17 -3.997 1.285 7.510 1.00 0.93 C ATOM 263 C SER A 17 -5.503 1.342 7.203 1.00 1.03 C ATOM 264 O SER A 17 -6.055 2.425 6.936 1.00 1.22 O ATOM 265 CB SER A 17 -3.182 1.521 6.256 1.00 0.96 C ATOM 266 OG SER A 17 -1.793 1.332 6.529 1.00 1.58 O ATOM 0 H SER A 17 -3.149 -0.606 7.403 1.00 0.82 H new ATOM 0 HA SER A 17 -3.802 2.071 8.240 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.502 0.836 5.471 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.353 2.532 5.887 1.00 0.96 H new ATOM 0 HG SER A 17 -1.590 0.373 6.544 1.00 1.58 H new ATOM 272 N ALA A 18 -6.165 0.202 7.265 1.00 1.04 N ATOM 273 CA ALA A 18 -7.590 0.135 7.006 1.00 1.24 C ATOM 274 C ALA A 18 -8.373 0.493 8.260 1.00 1.43 C ATOM 275 O ALA A 18 -9.539 0.873 8.187 1.00 1.88 O ATOM 276 CB ALA A 18 -7.980 -1.246 6.508 1.00 1.25 C ATOM 0 H ALA A 18 -5.735 -0.694 7.494 1.00 1.04 H new ATOM 0 HA ALA A 18 -7.834 0.858 6.228 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.053 -1.275 6.320 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.443 -1.465 5.585 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -7.724 -1.990 7.262 1.00 1.25 H new ATOM 282 N GLY A 19 -7.734 0.361 9.403 1.00 1.86 N ATOM 283 CA GLY A 19 -8.364 0.710 10.648 1.00 2.13 C ATOM 284 C GLY A 19 -8.965 -0.482 11.331 1.00 2.09 C ATOM 285 O GLY A 19 -8.243 -1.360 11.804 1.00 2.45 O ATOM 0 H GLY A 19 -6.779 0.014 9.491 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -7.630 1.173 11.308 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -9.141 1.452 10.465 1.00 2.13 H new ATOM 289 N GLU A 20 -10.276 -0.549 11.338 1.00 2.13 N ATOM 290 CA GLU A 20 -10.981 -1.624 12.012 1.00 2.46 C ATOM 291 C GLU A 20 -11.564 -2.556 10.974 1.00 2.48 C ATOM 292 O GLU A 20 -12.342 -3.467 11.276 1.00 3.18 O ATOM 293 CB GLU A 20 -12.085 -1.091 12.962 1.00 3.09 C ATOM 294 CG GLU A 20 -13.278 -0.392 12.294 1.00 3.54 C ATOM 295 CD GLU A 20 -12.939 0.908 11.604 1.00 4.23 C ATOM 296 OE1 GLU A 20 -12.534 0.883 10.428 1.00 4.69 O ATOM 297 OE2 GLU A 20 -13.037 1.974 12.235 1.00 4.67 O ATOM 0 H GLU A 20 -10.883 0.132 10.882 1.00 2.13 H new ATOM 0 HA GLU A 20 -10.271 -2.167 12.636 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -12.464 -1.927 13.550 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -11.626 -0.392 13.661 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -13.718 -1.071 11.564 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -14.039 -0.199 13.050 1.00 3.54 H new ATOM 304 N THR A 21 -11.196 -2.298 9.751 1.00 2.07 N ATOM 305 CA THR A 21 -11.583 -3.081 8.630 1.00 2.31 C ATOM 306 C THR A 21 -10.782 -4.392 8.637 1.00 2.42 C ATOM 307 O THR A 21 -9.664 -4.457 8.147 1.00 2.89 O ATOM 308 CB THR A 21 -11.327 -2.258 7.340 1.00 2.31 C ATOM 309 OG1 THR A 21 -12.094 -1.042 7.410 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.714 -3.023 6.077 1.00 2.00 C ATOM 0 H THR A 21 -10.598 -1.508 9.507 1.00 2.07 H new ATOM 0 HA THR A 21 -12.643 -3.333 8.672 1.00 2.31 H new ATOM 0 HB THR A 21 -10.259 -2.048 7.281 1.00 2.31 H new ATOM 0 HG1 THR A 21 -11.506 -0.298 7.658 1.00 2.58 H new ATOM 0 HG21 THR A 21 -11.516 -2.404 5.202 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.128 -3.940 6.013 1.00 2.00 H new ATOM 0 HG23 THR A 21 -12.775 -3.272 6.113 1.00 2.00 H new ATOM 318 N ASP A 22 -11.324 -5.388 9.312 1.00 2.59 N ATOM 319 CA ASP A 22 -10.688 -6.701 9.412 1.00 2.92 C ATOM 320 C ASP A 22 -11.255 -7.649 8.405 1.00 2.46 C ATOM 321 O ASP A 22 -11.121 -8.866 8.508 1.00 3.05 O ATOM 322 CB ASP A 22 -10.796 -7.288 10.803 1.00 3.98 C ATOM 323 CG ASP A 22 -10.019 -6.527 11.847 1.00 4.45 C ATOM 324 OD1 ASP A 22 -8.781 -6.556 11.827 1.00 4.98 O ATOM 325 OD2 ASP A 22 -10.637 -5.847 12.695 1.00 4.62 O ATOM 0 H ASP A 22 -12.213 -5.317 9.807 1.00 2.59 H new ATOM 0 HA ASP A 22 -9.629 -6.553 9.200 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -11.846 -7.317 11.094 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -10.443 -8.319 10.781 1.00 3.98 H new ATOM 330 N GLY A 23 -11.840 -7.081 7.406 1.00 1.97 N ATOM 331 CA GLY A 23 -12.442 -7.846 6.335 1.00 2.01 C ATOM 332 C GLY A 23 -11.528 -7.885 5.135 1.00 1.57 C ATOM 333 O GLY A 23 -11.945 -8.181 4.014 1.00 1.97 O ATOM 0 H GLY A 23 -11.922 -6.070 7.296 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -12.648 -8.861 6.676 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -13.398 -7.403 6.057 1.00 2.01 H new ATOM 337 N THR A 24 -10.291 -7.572 5.381 1.00 1.42 N ATOM 338 CA THR A 24 -9.282 -7.538 4.397 1.00 1.24 C ATOM 339 C THR A 24 -8.603 -8.908 4.308 1.00 1.16 C ATOM 340 O THR A 24 -7.582 -9.162 4.967 1.00 1.49 O ATOM 341 CB THR A 24 -8.269 -6.454 4.790 1.00 1.62 C ATOM 342 OG1 THR A 24 -7.889 -6.666 6.161 1.00 2.43 O ATOM 343 CG2 THR A 24 -8.893 -5.076 4.659 1.00 1.98 C ATOM 0 H THR A 24 -9.957 -7.326 6.313 1.00 1.42 H new ATOM 0 HA THR A 24 -9.705 -7.306 3.419 1.00 1.24 H new ATOM 0 HB THR A 24 -7.401 -6.512 4.133 1.00 1.62 H new ATOM 0 HG1 THR A 24 -7.606 -7.597 6.282 1.00 2.43 H new ATOM 0 HG21 THR A 24 -8.163 -4.318 4.941 1.00 1.98 H new ATOM 0 HG22 THR A 24 -9.204 -4.914 3.627 1.00 1.98 H new ATOM 0 HG23 THR A 24 -9.761 -5.006 5.315 1.00 1.98 H new ATOM 351 N ASP A 25 -9.231 -9.819 3.598 1.00 1.06 N ATOM 352 CA ASP A 25 -8.676 -11.149 3.423 1.00 1.14 C ATOM 353 C ASP A 25 -7.528 -11.099 2.426 1.00 0.91 C ATOM 354 O ASP A 25 -7.731 -11.124 1.218 1.00 1.11 O ATOM 355 CB ASP A 25 -9.748 -12.141 2.977 1.00 1.52 C ATOM 356 CG ASP A 25 -9.247 -13.568 2.932 1.00 1.99 C ATOM 357 OD1 ASP A 25 -9.292 -14.252 3.972 1.00 2.49 O ATOM 358 OD2 ASP A 25 -8.833 -14.046 1.857 1.00 2.41 O ATOM 0 H ASP A 25 -10.125 -9.667 3.132 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.293 -11.497 4.383 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.597 -12.081 3.657 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -10.110 -11.857 1.989 1.00 1.52 H new ATOM 363 N LEU A 26 -6.343 -10.940 2.954 1.00 0.84 N ATOM 364 CA LEU A 26 -5.123 -10.820 2.168 1.00 0.77 C ATOM 365 C LEU A 26 -4.330 -12.112 2.151 1.00 0.86 C ATOM 366 O LEU A 26 -3.153 -12.122 1.808 1.00 1.05 O ATOM 367 CB LEU A 26 -4.245 -9.685 2.723 1.00 0.94 C ATOM 368 CG LEU A 26 -4.471 -8.263 2.169 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.911 -7.807 2.286 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.569 -7.297 2.884 1.00 1.11 C ATOM 0 H LEU A 26 -6.186 -10.888 3.960 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.418 -10.593 1.143 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -4.387 -9.650 3.803 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.203 -9.951 2.547 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.233 -8.289 1.106 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.008 -6.800 1.880 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.554 -8.487 1.728 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.208 -7.806 3.335 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.729 -6.292 2.493 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -3.793 -7.311 3.951 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -2.530 -7.586 2.728 1.00 1.11 H new ATOM 382 N SER A 27 -4.965 -13.188 2.485 1.00 0.96 N ATOM 383 CA SER A 27 -4.299 -14.460 2.526 1.00 1.13 C ATOM 384 C SER A 27 -4.073 -15.000 1.105 1.00 1.20 C ATOM 385 O SER A 27 -5.030 -15.337 0.390 1.00 1.66 O ATOM 386 CB SER A 27 -5.126 -15.433 3.344 1.00 1.36 C ATOM 387 OG SER A 27 -5.454 -14.869 4.609 1.00 1.89 O ATOM 0 H SER A 27 -5.953 -13.216 2.736 1.00 0.96 H new ATOM 0 HA SER A 27 -3.322 -14.338 2.995 1.00 1.13 H new ATOM 0 HB2 SER A 27 -6.039 -15.686 2.805 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.572 -16.361 3.486 1.00 1.36 H new ATOM 0 HG SER A 27 -5.989 -15.509 5.124 1.00 1.89 H new ATOM 393 N GLY A 28 -2.831 -15.022 0.681 1.00 1.48 N ATOM 394 CA GLY A 28 -2.512 -15.564 -0.604 1.00 1.67 C ATOM 395 C GLY A 28 -2.179 -14.498 -1.604 1.00 1.54 C ATOM 396 O GLY A 28 -1.379 -13.588 -1.319 1.00 2.30 O ATOM 0 H GLY A 28 -2.033 -14.671 1.210 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -1.667 -16.246 -0.509 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.356 -16.150 -0.968 1.00 1.67 H new ATOM 400 N ASP A 29 -2.818 -14.555 -2.750 1.00 1.09 N ATOM 401 CA ASP A 29 -2.519 -13.627 -3.827 1.00 1.07 C ATOM 402 C ASP A 29 -3.291 -12.335 -3.694 1.00 0.87 C ATOM 403 O ASP A 29 -4.147 -12.001 -4.525 1.00 1.13 O ATOM 404 CB ASP A 29 -2.709 -14.231 -5.227 1.00 1.48 C ATOM 405 CG ASP A 29 -1.697 -15.300 -5.565 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.525 -14.963 -5.868 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.052 -16.495 -5.561 1.00 2.97 O ATOM 0 H ASP A 29 -3.549 -15.233 -2.965 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.457 -13.404 -3.724 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -3.711 -14.655 -5.298 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.646 -13.435 -5.969 1.00 1.48 H new ATOM 412 N PHE A 30 -3.013 -11.616 -2.628 1.00 0.67 N ATOM 413 CA PHE A 30 -3.619 -10.313 -2.403 1.00 0.57 C ATOM 414 C PHE A 30 -2.886 -9.302 -3.251 1.00 0.49 C ATOM 415 O PHE A 30 -3.414 -8.271 -3.622 1.00 0.48 O ATOM 416 CB PHE A 30 -3.517 -9.895 -0.915 1.00 0.59 C ATOM 417 CG PHE A 30 -2.107 -9.552 -0.434 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.221 -10.562 -0.063 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.674 -8.239 -0.355 1.00 0.58 C ATOM 420 CE1 PHE A 30 0.053 -10.264 0.378 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.399 -7.939 0.085 1.00 0.65 C ATOM 422 CZ PHE A 30 0.457 -8.904 0.436 1.00 0.73 C ATOM 0 H PHE A 30 -2.367 -11.911 -1.896 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.675 -10.361 -2.669 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.160 -9.031 -0.751 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.908 -10.704 -0.298 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.536 -11.593 -0.121 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.341 -7.439 -0.641 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.730 -11.052 0.674 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.088 -6.906 0.146 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.454 -8.650 0.763 1.00 0.73 H new ATOM 432 N LEU A 31 -1.660 -9.665 -3.596 1.00 0.54 N ATOM 433 CA LEU A 31 -0.745 -8.817 -4.311 1.00 0.60 C ATOM 434 C LEU A 31 -1.278 -8.533 -5.717 1.00 0.63 C ATOM 435 O LEU A 31 -1.002 -7.482 -6.301 1.00 0.72 O ATOM 436 CB LEU A 31 0.611 -9.527 -4.385 1.00 0.75 C ATOM 437 CG LEU A 31 1.809 -8.668 -4.762 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.116 -7.668 -3.654 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.021 -9.530 -5.065 1.00 1.43 C ATOM 0 H LEU A 31 -1.273 -10.583 -3.376 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.635 -7.863 -3.795 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.810 -9.983 -3.415 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.532 -10.338 -5.109 1.00 0.75 H new ATOM 0 HG LEU A 31 1.561 -8.112 -5.666 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.975 -7.061 -3.939 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.252 -7.022 -3.497 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.340 -8.204 -2.732 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.864 -8.892 -5.332 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.277 -10.120 -4.185 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.794 -10.198 -5.896 1.00 1.43 H new ATOM 451 N ASP A 32 -2.085 -9.464 -6.219 1.00 0.66 N ATOM 452 CA ASP A 32 -2.660 -9.377 -7.562 1.00 0.83 C ATOM 453 C ASP A 32 -4.159 -9.186 -7.479 1.00 0.73 C ATOM 454 O ASP A 32 -4.904 -9.480 -8.434 1.00 0.96 O ATOM 455 CB ASP A 32 -2.371 -10.641 -8.355 1.00 1.10 C ATOM 456 CG ASP A 32 -0.911 -10.919 -8.509 1.00 1.70 C ATOM 457 OD1 ASP A 32 -0.244 -10.177 -9.220 1.00 2.33 O ATOM 458 OD2 ASP A 32 -0.408 -11.902 -7.918 1.00 2.26 O ATOM 0 H ASP A 32 -2.360 -10.302 -5.707 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.205 -8.524 -8.065 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.845 -11.489 -7.861 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.824 -10.554 -9.343 1.00 1.10 H new ATOM 463 N LEU A 33 -4.613 -8.732 -6.346 1.00 0.50 N ATOM 464 CA LEU A 33 -6.009 -8.448 -6.157 1.00 0.50 C ATOM 465 C LEU A 33 -6.149 -6.930 -6.264 1.00 0.50 C ATOM 466 O LEU A 33 -5.141 -6.241 -6.350 1.00 0.78 O ATOM 467 CB LEU A 33 -6.460 -8.982 -4.789 1.00 0.49 C ATOM 468 CG LEU A 33 -7.965 -9.044 -4.525 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.654 -9.919 -5.562 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.225 -9.592 -3.132 1.00 0.70 C ATOM 0 H LEU A 33 -4.030 -8.548 -5.530 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.642 -8.932 -6.901 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.054 -9.986 -4.668 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -6.007 -8.360 -4.017 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.371 -8.035 -4.596 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.724 -9.951 -5.358 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.487 -9.505 -6.556 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.245 -10.928 -5.516 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.299 -9.633 -2.952 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.805 -10.595 -3.051 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.758 -8.942 -2.392 1.00 0.70 H new ATOM 482 N ARG A 34 -7.339 -6.398 -6.272 1.00 0.34 N ATOM 483 CA ARG A 34 -7.468 -4.967 -6.462 1.00 0.37 C ATOM 484 C ARG A 34 -7.911 -4.325 -5.185 1.00 0.35 C ATOM 485 O ARG A 34 -8.576 -4.968 -4.358 1.00 0.40 O ATOM 486 CB ARG A 34 -8.498 -4.643 -7.531 1.00 0.45 C ATOM 487 CG ARG A 34 -8.370 -5.440 -8.798 1.00 0.60 C ATOM 488 CD ARG A 34 -9.390 -4.980 -9.799 1.00 1.01 C ATOM 489 NE ARG A 34 -9.539 -5.912 -10.909 1.00 1.74 N ATOM 490 CZ ARG A 34 -8.954 -5.784 -12.096 1.00 2.51 C ATOM 491 NH1 ARG A 34 -7.930 -4.952 -12.250 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.356 -6.541 -13.111 1.00 3.50 N ATOM 0 H ARG A 34 -8.214 -6.909 -6.154 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.494 -4.587 -6.771 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.493 -4.805 -7.117 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.424 -3.584 -7.777 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.367 -5.326 -9.210 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.509 -6.500 -8.586 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -10.352 -4.855 -9.302 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.101 -4.003 -10.185 1.00 1.01 H new ATOM 0 HE ARG A 34 -10.138 -6.725 -10.764 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -7.590 -4.409 -11.456 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -7.483 -4.856 -13.162 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -10.109 -7.215 -12.977 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -8.911 -6.448 -14.024 1.00 3.50 H new ATOM 506 N PHE A 35 -7.590 -3.048 -5.025 1.00 0.36 N ATOM 507 CA PHE A 35 -8.054 -2.281 -3.865 1.00 0.39 C ATOM 508 C PHE A 35 -9.579 -2.174 -3.885 1.00 0.47 C ATOM 509 O PHE A 35 -10.228 -2.085 -2.844 1.00 0.54 O ATOM 510 CB PHE A 35 -7.400 -0.895 -3.802 1.00 0.41 C ATOM 511 CG PHE A 35 -5.907 -0.934 -3.587 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.377 -1.133 -2.327 1.00 0.42 C ATOM 513 CD2 PHE A 35 -5.038 -0.777 -4.653 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.011 -1.174 -2.132 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.672 -0.819 -4.464 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.161 -0.993 -3.182 1.00 0.47 C ATOM 0 H PHE A 35 -7.013 -2.519 -5.678 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.753 -2.813 -2.963 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.610 -0.362 -4.729 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.859 -0.324 -2.995 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.040 -1.258 -1.484 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.434 -0.620 -5.645 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.614 -1.350 -1.143 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -3.004 -0.717 -5.306 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.093 -0.985 -3.019 1.00 0.47 H new ATOM 526 N GLU A 36 -10.129 -2.242 -5.091 1.00 0.57 N ATOM 527 CA GLU A 36 -11.564 -2.235 -5.332 1.00 0.76 C ATOM 528 C GLU A 36 -12.240 -3.446 -4.676 1.00 0.74 C ATOM 529 O GLU A 36 -13.363 -3.351 -4.194 1.00 0.87 O ATOM 530 CB GLU A 36 -11.824 -2.254 -6.841 1.00 0.97 C ATOM 531 CG GLU A 36 -11.330 -1.010 -7.571 1.00 1.31 C ATOM 532 CD GLU A 36 -11.442 -1.124 -9.078 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.498 -1.498 -9.590 1.00 2.06 O ATOM 534 OE2 GLU A 36 -10.475 -0.818 -9.779 1.00 1.81 O ATOM 0 H GLU A 36 -9.577 -2.305 -5.946 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.985 -1.331 -4.892 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.341 -3.131 -7.272 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.895 -2.363 -7.014 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.903 -0.146 -7.234 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.290 -0.827 -7.302 1.00 1.31 H new ATOM 541 N ASP A 37 -11.537 -4.570 -4.642 1.00 0.66 N ATOM 542 CA ASP A 37 -12.081 -5.806 -4.079 1.00 0.73 C ATOM 543 C ASP A 37 -11.962 -5.789 -2.571 1.00 0.73 C ATOM 544 O ASP A 37 -12.914 -6.081 -1.844 1.00 0.89 O ATOM 545 CB ASP A 37 -11.347 -7.055 -4.615 1.00 0.75 C ATOM 546 CG ASP A 37 -11.435 -7.237 -6.111 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.552 -7.451 -6.628 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.390 -7.161 -6.793 1.00 2.20 O ATOM 0 H ASP A 37 -10.585 -4.655 -4.998 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.128 -5.860 -4.379 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.297 -6.994 -4.330 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.759 -7.940 -4.129 1.00 0.75 H new ATOM 553 N ILE A 38 -10.800 -5.388 -2.098 1.00 0.63 N ATOM 554 CA ILE A 38 -10.493 -5.414 -0.670 1.00 0.68 C ATOM 555 C ILE A 38 -11.083 -4.240 0.126 1.00 0.68 C ATOM 556 O ILE A 38 -10.785 -4.073 1.300 1.00 0.73 O ATOM 557 CB ILE A 38 -8.981 -5.588 -0.398 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.172 -4.550 -1.191 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.546 -7.002 -0.756 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.667 -4.663 -1.039 1.00 0.64 C ATOM 0 H ILE A 38 -10.042 -5.036 -2.682 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.002 -6.302 -0.294 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.791 -5.427 0.663 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.424 -4.644 -2.247 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.481 -3.553 -0.877 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.480 -7.115 -0.561 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.103 -7.718 -0.152 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.743 -7.187 -1.812 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.182 -3.890 -1.635 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.397 -4.536 0.009 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.339 -5.644 -1.382 1.00 0.64 H new ATOM 572 N GLY A 39 -11.972 -3.494 -0.509 1.00 0.69 N ATOM 573 CA GLY A 39 -12.690 -2.414 0.152 1.00 0.77 C ATOM 574 C GLY A 39 -11.832 -1.220 0.515 1.00 0.65 C ATOM 575 O GLY A 39 -12.027 -0.607 1.574 1.00 0.74 O ATOM 0 H GLY A 39 -12.216 -3.618 -1.492 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.498 -2.080 -0.499 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.151 -2.803 1.060 1.00 0.77 H new ATOM 579 N TYR A 40 -10.899 -0.873 -0.341 1.00 0.52 N ATOM 580 CA TYR A 40 -10.042 0.260 -0.079 1.00 0.47 C ATOM 581 C TYR A 40 -10.435 1.450 -0.878 1.00 0.49 C ATOM 582 O TYR A 40 -10.403 1.432 -2.109 1.00 0.61 O ATOM 583 CB TYR A 40 -8.556 -0.048 -0.281 1.00 0.46 C ATOM 584 CG TYR A 40 -7.945 -0.818 0.847 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.324 -2.108 1.100 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.000 -0.240 1.675 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.792 -2.816 2.131 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.456 -0.941 2.720 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.862 -2.241 2.936 1.00 0.81 C ATOM 590 OH TYR A 40 -6.340 -2.966 3.962 1.00 1.02 O ATOM 0 H TYR A 40 -10.715 -1.356 -1.220 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.182 0.489 0.977 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.433 -0.614 -1.205 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.013 0.889 -0.406 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.063 -2.575 0.466 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.686 0.778 1.496 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.108 -3.833 2.309 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.721 -0.482 3.364 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.854 -2.370 4.570 1.00 1.02 H new ATOM 600 N ASP A 41 -10.827 2.469 -0.176 1.00 0.48 N ATOM 601 CA ASP A 41 -11.132 3.732 -0.778 1.00 0.56 C ATOM 602 C ASP A 41 -9.868 4.560 -0.817 1.00 0.45 C ATOM 603 O ASP A 41 -8.793 4.104 -0.372 1.00 0.39 O ATOM 604 CB ASP A 41 -12.219 4.498 0.003 1.00 0.75 C ATOM 605 CG ASP A 41 -13.597 3.876 -0.052 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.889 2.977 0.773 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.395 4.213 -0.963 1.00 1.20 O ATOM 0 H ASP A 41 -10.945 2.448 0.837 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.516 3.551 -1.782 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.912 4.574 1.046 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.279 5.514 -0.387 1.00 0.75 H new ATOM 612 N SER A 42 -10.005 5.763 -1.305 1.00 0.57 N ATOM 613 CA SER A 42 -8.928 6.714 -1.448 1.00 0.62 C ATOM 614 C SER A 42 -8.158 6.922 -0.134 1.00 0.53 C ATOM 615 O SER A 42 -6.952 6.668 -0.063 1.00 0.54 O ATOM 616 CB SER A 42 -9.549 8.016 -1.885 1.00 0.83 C ATOM 617 OG SER A 42 -10.671 8.300 -0.980 1.00 1.24 O ATOM 0 H SER A 42 -10.903 6.125 -1.627 1.00 0.57 H new ATOM 0 HA SER A 42 -8.208 6.341 -2.176 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.815 8.821 -1.849 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.897 7.947 -2.916 1.00 0.83 H new ATOM 622 N LEU A 43 -8.887 7.364 0.893 1.00 0.53 N ATOM 623 CA LEU A 43 -8.352 7.673 2.219 1.00 0.54 C ATOM 624 C LEU A 43 -7.504 6.540 2.767 1.00 0.45 C ATOM 625 O LEU A 43 -6.353 6.757 3.144 1.00 0.47 O ATOM 626 CB LEU A 43 -9.490 7.999 3.190 1.00 0.68 C ATOM 627 CG LEU A 43 -10.361 9.202 2.825 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.496 9.356 3.822 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.526 10.469 2.778 1.00 0.90 C ATOM 0 H LEU A 43 -9.892 7.521 0.823 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.707 8.546 2.115 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.133 7.122 3.272 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.060 8.173 4.176 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.787 9.031 1.836 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.107 10.216 3.548 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.112 8.457 3.814 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.085 9.505 4.821 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.162 11.315 2.517 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.074 10.643 3.754 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.742 10.360 2.029 1.00 0.90 H new ATOM 641 N ALA A 44 -8.062 5.335 2.761 1.00 0.44 N ATOM 642 CA ALA A 44 -7.382 4.140 3.235 1.00 0.41 C ATOM 643 C ALA A 44 -6.051 3.941 2.533 1.00 0.35 C ATOM 644 O ALA A 44 -5.068 3.622 3.173 1.00 0.38 O ATOM 645 CB ALA A 44 -8.259 2.906 3.060 1.00 0.43 C ATOM 0 H ALA A 44 -9.009 5.161 2.423 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.186 4.280 4.298 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.726 2.027 3.422 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.181 3.031 3.628 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.498 2.776 2.004 1.00 0.43 H new ATOM 651 N LEU A 45 -6.008 4.167 1.228 1.00 0.34 N ATOM 652 CA LEU A 45 -4.779 3.993 0.480 1.00 0.33 C ATOM 653 C LEU A 45 -3.758 5.119 0.774 1.00 0.32 C ATOM 654 O LEU A 45 -2.550 4.864 0.852 1.00 0.36 O ATOM 655 CB LEU A 45 -5.082 3.869 -1.002 1.00 0.48 C ATOM 656 CG LEU A 45 -3.904 3.507 -1.930 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.889 2.609 -1.237 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.461 2.724 -3.036 1.00 0.37 C ATOM 0 H LEU A 45 -6.807 4.470 0.671 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.309 3.066 0.807 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.857 3.112 -1.127 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.503 4.815 -1.342 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.411 4.427 -2.242 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.077 2.379 -1.926 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.488 3.121 -0.362 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.374 1.684 -0.926 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.662 2.444 -3.722 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.934 1.824 -2.643 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.202 3.321 -3.567 1.00 0.37 H new ATOM 670 N MET A 46 -4.244 6.347 0.986 1.00 0.37 N ATOM 671 CA MET A 46 -3.345 7.490 1.341 1.00 0.46 C ATOM 672 C MET A 46 -2.672 7.138 2.642 1.00 0.48 C ATOM 673 O MET A 46 -1.464 7.258 2.814 1.00 0.54 O ATOM 674 CB MET A 46 -4.133 8.793 1.576 1.00 0.59 C ATOM 675 CG MET A 46 -5.187 9.044 0.580 1.00 0.54 C ATOM 676 SD MET A 46 -5.947 10.663 0.770 1.00 0.89 S ATOM 677 CE MET A 46 -7.098 10.626 -0.591 1.00 1.84 C ATOM 0 H MET A 46 -5.233 6.589 0.924 1.00 0.37 H new ATOM 0 HA MET A 46 -2.645 7.650 0.521 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.585 8.758 2.567 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.437 9.632 1.572 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.763 8.961 -0.421 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.954 8.274 0.666 1.00 0.54 H new ATOM 0 HE1 MET A 46 -7.148 11.612 -1.052 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.765 9.897 -1.330 1.00 1.84 H new ATOM 0 HE3 MET A 46 -8.086 10.346 -0.225 1.00 1.84 H new ATOM 687 N GLU A 47 -3.492 6.656 3.524 1.00 0.49 N ATOM 688 CA GLU A 47 -3.120 6.206 4.822 1.00 0.55 C ATOM 689 C GLU A 47 -2.181 4.986 4.775 1.00 0.54 C ATOM 690 O GLU A 47 -1.236 4.896 5.567 1.00 0.71 O ATOM 691 CB GLU A 47 -4.383 5.924 5.584 1.00 0.58 C ATOM 692 CG GLU A 47 -5.018 7.152 6.176 1.00 0.82 C ATOM 693 CD GLU A 47 -6.010 6.817 7.241 1.00 1.48 C ATOM 694 OE1 GLU A 47 -5.581 6.513 8.363 1.00 1.84 O ATOM 695 OE2 GLU A 47 -7.230 6.879 7.003 1.00 2.31 O ATOM 0 H GLU A 47 -4.492 6.563 3.344 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.545 6.980 5.330 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.098 5.441 4.919 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.164 5.217 6.384 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.243 7.795 6.593 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.512 7.720 5.387 1.00 0.82 H new ATOM 702 N THR A 48 -2.446 4.077 3.850 1.00 0.42 N ATOM 703 CA THR A 48 -1.596 2.915 3.606 1.00 0.42 C ATOM 704 C THR A 48 -0.180 3.388 3.284 1.00 0.39 C ATOM 705 O THR A 48 0.796 2.982 3.938 1.00 0.41 O ATOM 706 CB THR A 48 -2.167 2.090 2.415 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.470 1.567 2.743 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.244 0.951 1.995 1.00 0.45 C ATOM 0 H THR A 48 -3.263 4.122 3.241 1.00 0.42 H new ATOM 0 HA THR A 48 -1.572 2.283 4.494 1.00 0.42 H new ATOM 0 HB THR A 48 -2.247 2.774 1.570 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.099 2.309 2.864 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.691 0.409 1.161 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.280 1.358 1.689 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.100 0.271 2.834 1.00 0.45 H new ATOM 716 N ALA A 49 -0.087 4.271 2.295 1.00 0.39 N ATOM 717 CA ALA A 49 1.172 4.828 1.873 1.00 0.40 C ATOM 718 C ALA A 49 1.847 5.563 3.041 1.00 0.42 C ATOM 719 O ALA A 49 3.037 5.388 3.284 1.00 0.41 O ATOM 720 CB ALA A 49 0.960 5.778 0.705 1.00 0.43 C ATOM 0 H ALA A 49 -0.890 4.615 1.769 1.00 0.39 H new ATOM 0 HA ALA A 49 1.823 4.016 1.550 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.919 6.193 0.395 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.512 5.236 -0.128 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.296 6.587 1.010 1.00 0.43 H new ATOM 726 N ALA A 50 1.047 6.318 3.797 1.00 0.46 N ATOM 727 CA ALA A 50 1.525 7.110 4.931 1.00 0.51 C ATOM 728 C ALA A 50 2.180 6.253 6.017 1.00 0.49 C ATOM 729 O ALA A 50 3.198 6.657 6.587 1.00 0.49 O ATOM 730 CB ALA A 50 0.406 7.953 5.515 1.00 0.62 C ATOM 0 H ALA A 50 0.043 6.397 3.638 1.00 0.46 H new ATOM 0 HA ALA A 50 2.298 7.773 4.543 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.788 8.532 6.356 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.025 8.631 4.751 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.399 7.303 5.858 1.00 0.62 H new ATOM 736 N ARG A 51 1.615 5.067 6.302 1.00 0.51 N ATOM 737 CA ARG A 51 2.208 4.148 7.302 1.00 0.54 C ATOM 738 C ARG A 51 3.589 3.716 6.831 1.00 0.50 C ATOM 739 O ARG A 51 4.528 3.578 7.627 1.00 0.61 O ATOM 740 CB ARG A 51 1.261 2.913 7.558 1.00 0.62 C ATOM 741 CG ARG A 51 1.749 1.809 8.568 1.00 0.87 C ATOM 742 CD ARG A 51 2.834 0.885 7.976 1.00 1.36 C ATOM 743 NE ARG A 51 3.276 -0.212 8.881 1.00 2.18 N ATOM 744 CZ ARG A 51 4.037 -1.260 8.471 1.00 3.05 C ATOM 745 NH1 ARG A 51 4.509 -1.282 7.235 1.00 3.48 N ATOM 746 NH2 ARG A 51 4.351 -2.255 9.292 1.00 3.91 N ATOM 0 H ARG A 51 0.761 4.721 5.864 1.00 0.51 H new ATOM 0 HA ARG A 51 2.316 4.666 8.255 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.304 3.294 7.915 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.074 2.430 6.599 1.00 0.62 H new ATOM 0 HG2 ARG A 51 2.140 2.292 9.464 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.896 1.206 8.878 1.00 0.87 H new ATOM 0 HD2 ARG A 51 2.455 0.446 7.053 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.701 1.489 7.709 1.00 1.36 H new ATOM 0 HE ARG A 51 2.992 -0.175 9.860 1.00 2.18 H new ATOM 0 HH11 ARG A 51 4.301 -0.515 6.596 1.00 3.48 H new ATOM 0 HH12 ARG A 51 5.081 -2.066 6.921 1.00 3.48 H new ATOM 0 HH21 ARG A 51 4.019 -2.244 10.256 1.00 3.91 H new ATOM 0 HH22 ARG A 51 4.924 -3.030 8.958 1.00 3.91 H new ATOM 760 N LEU A 52 3.712 3.538 5.540 1.00 0.41 N ATOM 761 CA LEU A 52 4.946 3.096 4.954 1.00 0.39 C ATOM 762 C LEU A 52 5.951 4.250 4.941 1.00 0.36 C ATOM 763 O LEU A 52 7.129 4.068 5.275 1.00 0.38 O ATOM 764 CB LEU A 52 4.690 2.544 3.542 1.00 0.36 C ATOM 765 CG LEU A 52 3.559 1.497 3.429 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.434 0.955 2.026 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.732 0.368 4.427 1.00 0.48 C ATOM 0 H LEU A 52 2.960 3.696 4.869 1.00 0.41 H new ATOM 0 HA LEU A 52 5.370 2.288 5.550 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.455 3.379 2.882 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.613 2.097 3.173 1.00 0.36 H new ATOM 0 HG LEU A 52 2.631 2.015 3.670 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.628 0.222 1.990 1.00 0.41 H new ATOM 0 HD12 LEU A 52 3.213 1.772 1.339 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.370 0.479 1.735 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.916 -0.346 4.314 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.682 -0.135 4.246 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.723 0.772 5.439 1.00 0.48 H new ATOM 779 N GLU A 53 5.462 5.442 4.611 1.00 0.35 N ATOM 780 CA GLU A 53 6.281 6.654 4.587 1.00 0.37 C ATOM 781 C GLU A 53 6.886 6.950 5.944 1.00 0.41 C ATOM 782 O GLU A 53 8.093 7.130 6.063 1.00 0.45 O ATOM 783 CB GLU A 53 5.476 7.870 4.121 1.00 0.40 C ATOM 784 CG GLU A 53 4.993 7.811 2.687 1.00 0.44 C ATOM 785 CD GLU A 53 4.274 9.074 2.296 1.00 0.56 C ATOM 786 OE1 GLU A 53 4.938 10.035 1.841 1.00 0.65 O ATOM 787 OE2 GLU A 53 3.062 9.152 2.467 1.00 0.91 O ATOM 0 H GLU A 53 4.488 5.597 4.353 1.00 0.35 H new ATOM 0 HA GLU A 53 7.085 6.465 3.875 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.611 7.986 4.775 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.090 8.762 4.244 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.842 7.653 2.022 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.327 6.958 2.561 1.00 0.44 H new ATOM 794 N SER A 54 6.048 6.954 6.958 1.00 0.45 N ATOM 795 CA SER A 54 6.458 7.301 8.302 1.00 0.54 C ATOM 796 C SER A 54 7.427 6.283 8.919 1.00 0.52 C ATOM 797 O SER A 54 8.279 6.648 9.742 1.00 0.62 O ATOM 798 CB SER A 54 5.218 7.509 9.182 1.00 0.69 C ATOM 799 OG SER A 54 4.315 6.415 9.047 1.00 1.38 O ATOM 0 H SER A 54 5.060 6.716 6.873 1.00 0.45 H new ATOM 0 HA SER A 54 7.018 8.235 8.245 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.519 7.612 10.225 1.00 0.69 H new ATOM 0 HB3 SER A 54 4.718 8.436 8.901 1.00 0.69 H new ATOM 0 HG SER A 54 3.777 6.533 8.236 1.00 1.38 H new ATOM 805 N ARG A 55 7.324 5.023 8.510 1.00 0.53 N ATOM 806 CA ARG A 55 8.181 3.995 9.079 1.00 0.62 C ATOM 807 C ARG A 55 9.507 3.897 8.334 1.00 0.57 C ATOM 808 O ARG A 55 10.568 3.897 8.949 1.00 0.68 O ATOM 809 CB ARG A 55 7.496 2.614 9.095 1.00 0.78 C ATOM 810 CG ARG A 55 8.244 1.565 9.929 1.00 0.95 C ATOM 811 CD ARG A 55 7.590 0.188 9.856 1.00 1.19 C ATOM 812 NE ARG A 55 8.121 -0.739 10.879 1.00 1.42 N ATOM 813 CZ ARG A 55 7.954 -2.078 10.888 1.00 1.79 C ATOM 814 NH1 ARG A 55 7.637 -2.730 9.776 1.00 1.97 N ATOM 815 NH2 ARG A 55 8.229 -2.768 11.990 1.00 2.41 N ATOM 0 H ARG A 55 6.669 4.695 7.801 1.00 0.53 H new ATOM 0 HA ARG A 55 8.375 4.295 10.109 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.485 2.724 9.487 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.403 2.252 8.071 1.00 0.78 H new ATOM 0 HG2 ARG A 55 9.274 1.494 9.579 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.282 1.891 10.968 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.513 0.292 9.987 1.00 1.19 H new ATOM 0 HD3 ARG A 55 7.751 -0.237 8.865 1.00 1.19 H new ATOM 0 HE ARG A 55 8.660 -0.331 11.643 1.00 1.42 H new ATOM 0 HH11 ARG A 55 7.517 -2.219 8.902 1.00 1.97 H new ATOM 0 HH12 ARG A 55 7.514 -3.742 9.796 1.00 1.97 H new ATOM 0 HH21 ARG A 55 8.565 -2.285 12.824 1.00 2.41 H new ATOM 0 HH22 ARG A 55 8.105 -3.780 12.002 1.00 2.41 H new ATOM 829 N TYR A 56 9.440 3.852 7.012 1.00 0.49 N ATOM 830 CA TYR A 56 10.625 3.586 6.201 1.00 0.54 C ATOM 831 C TYR A 56 11.290 4.850 5.683 1.00 0.53 C ATOM 832 O TYR A 56 12.264 4.783 4.937 1.00 0.71 O ATOM 833 CB TYR A 56 10.276 2.625 5.057 1.00 0.57 C ATOM 834 CG TYR A 56 9.696 1.328 5.569 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.523 0.315 6.033 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.328 1.098 5.535 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.006 -0.889 6.445 1.00 1.09 C ATOM 838 CE2 TYR A 56 7.804 -0.101 5.959 1.00 0.82 C ATOM 839 CZ TYR A 56 8.614 -1.000 6.603 1.00 1.02 C ATOM 840 OH TYR A 56 8.145 -2.300 6.801 1.00 1.20 O ATOM 0 H TYR A 56 8.583 3.995 6.477 1.00 0.49 H new ATOM 0 HA TYR A 56 11.360 3.112 6.851 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.562 3.103 4.387 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.172 2.416 4.472 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.590 0.476 6.071 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.666 1.870 5.171 1.00 0.66 H new ATOM 0 HE1 TYR A 56 10.654 -1.730 6.643 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.763 -0.332 5.786 1.00 0.82 H new ATOM 0 HH TYR A 56 7.408 -2.480 6.180 1.00 1.20 H new ATOM 850 N GLY A 57 10.749 5.992 6.064 1.00 0.44 N ATOM 851 CA GLY A 57 11.343 7.270 5.706 1.00 0.45 C ATOM 852 C GLY A 57 11.187 7.613 4.244 1.00 0.45 C ATOM 853 O GLY A 57 12.025 8.310 3.673 1.00 0.60 O ATOM 0 H GLY A 57 9.898 6.063 6.622 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.886 8.056 6.307 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.404 7.253 5.957 1.00 0.45 H new ATOM 857 N VAL A 58 10.109 7.158 3.644 1.00 0.37 N ATOM 858 CA VAL A 58 9.872 7.427 2.239 1.00 0.39 C ATOM 859 C VAL A 58 8.864 8.554 2.078 1.00 0.40 C ATOM 860 O VAL A 58 8.324 9.054 3.074 1.00 0.42 O ATOM 861 CB VAL A 58 9.394 6.165 1.427 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.433 5.074 1.439 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.084 5.621 1.959 1.00 0.38 C ATOM 0 H VAL A 58 9.386 6.603 4.102 1.00 0.37 H new ATOM 0 HA VAL A 58 10.835 7.722 1.822 1.00 0.39 H new ATOM 0 HB VAL A 58 9.243 6.496 0.400 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.069 4.219 0.869 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.354 5.444 0.990 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.628 4.769 2.467 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.787 4.751 1.373 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.207 5.331 3.002 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.314 6.389 1.884 1.00 0.38 H new ATOM 873 N SER A 59 8.614 8.962 0.857 1.00 0.46 N ATOM 874 CA SER A 59 7.628 9.982 0.563 1.00 0.56 C ATOM 875 C SER A 59 7.067 9.801 -0.836 1.00 0.54 C ATOM 876 O SER A 59 7.802 9.880 -1.832 1.00 0.61 O ATOM 877 CB SER A 59 8.214 11.389 0.728 1.00 0.79 C ATOM 878 OG SER A 59 8.638 11.612 2.071 1.00 1.33 O ATOM 0 H SER A 59 9.090 8.596 0.033 1.00 0.46 H new ATOM 0 HA SER A 59 6.814 9.871 1.280 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.058 11.517 0.050 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.467 12.133 0.451 1.00 0.79 H new ATOM 0 HG SER A 59 8.448 10.816 2.610 1.00 1.33 H new ATOM 884 N ILE A 60 5.785 9.529 -0.898 1.00 0.48 N ATOM 885 CA ILE A 60 5.081 9.331 -2.149 1.00 0.46 C ATOM 886 C ILE A 60 3.942 10.345 -2.217 1.00 0.50 C ATOM 887 O ILE A 60 3.167 10.458 -1.268 1.00 0.58 O ATOM 888 CB ILE A 60 4.487 7.862 -2.307 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.581 6.767 -2.425 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.534 7.761 -3.499 1.00 0.43 C ATOM 891 CD1 ILE A 60 6.342 6.461 -1.152 1.00 1.13 C ATOM 0 H ILE A 60 5.192 9.437 -0.073 1.00 0.48 H new ATOM 0 HA ILE A 60 5.795 9.468 -2.961 1.00 0.46 H new ATOM 0 HB ILE A 60 3.933 7.678 -1.386 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.113 5.848 -2.777 1.00 0.47 H new ATOM 0 HG13 ILE A 60 6.295 7.074 -3.189 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.150 6.743 -3.573 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.703 8.453 -3.360 1.00 0.43 H new ATOM 0 HG23 ILE A 60 4.068 8.014 -4.415 1.00 0.43 H new ATOM 0 HD11 ILE A 60 7.080 5.683 -1.347 1.00 1.13 H new ATOM 0 HD12 ILE A 60 6.848 7.362 -0.805 1.00 1.13 H new ATOM 0 HD13 ILE A 60 5.647 6.117 -0.386 1.00 1.13 H new ATOM 903 N PRO A 61 3.873 11.149 -3.283 1.00 0.52 N ATOM 904 CA PRO A 61 2.784 12.109 -3.470 1.00 0.58 C ATOM 905 C PRO A 61 1.418 11.399 -3.521 1.00 0.52 C ATOM 906 O PRO A 61 1.276 10.359 -4.193 1.00 0.45 O ATOM 907 CB PRO A 61 3.099 12.775 -4.819 1.00 0.63 C ATOM 908 CG PRO A 61 4.122 11.903 -5.469 1.00 0.65 C ATOM 909 CD PRO A 61 4.864 11.216 -4.364 1.00 0.56 C ATOM 0 HA PRO A 61 2.719 12.825 -2.650 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.203 12.855 -5.435 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.479 13.787 -4.677 1.00 0.63 H new ATOM 0 HG2 PRO A 61 3.648 11.176 -6.128 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.802 12.494 -6.083 1.00 0.65 H new ATOM 0 HD2 PRO A 61 5.202 10.223 -4.662 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.749 11.777 -4.064 1.00 0.56 H new ATOM 917 N ASP A 62 0.432 11.982 -2.827 1.00 0.64 N ATOM 918 CA ASP A 62 -0.945 11.430 -2.676 1.00 0.72 C ATOM 919 C ASP A 62 -1.513 10.963 -4.005 1.00 0.61 C ATOM 920 O ASP A 62 -2.091 9.881 -4.108 1.00 0.65 O ATOM 921 CB ASP A 62 -1.897 12.501 -2.101 1.00 1.00 C ATOM 922 CG ASP A 62 -1.513 13.014 -0.735 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.706 13.971 -0.643 1.00 1.40 O ATOM 924 OD2 ASP A 62 -2.014 12.504 0.271 1.00 1.97 O ATOM 0 H ASP A 62 0.559 12.869 -2.340 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.870 10.580 -1.998 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.936 13.342 -2.793 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.903 12.084 -2.049 1.00 1.00 H new ATOM 929 N ASP A 63 -1.312 11.793 -5.014 1.00 0.57 N ATOM 930 CA ASP A 63 -1.773 11.582 -6.388 1.00 0.62 C ATOM 931 C ASP A 63 -1.419 10.206 -6.927 1.00 0.52 C ATOM 932 O ASP A 63 -2.256 9.538 -7.538 1.00 0.65 O ATOM 933 CB ASP A 63 -1.152 12.634 -7.318 1.00 0.78 C ATOM 934 CG ASP A 63 -1.576 14.039 -7.003 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.275 14.521 -5.900 1.00 1.87 O ATOM 936 OD2 ASP A 63 -2.237 14.684 -7.844 1.00 1.94 O ATOM 0 H ASP A 63 -0.803 12.670 -4.901 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.859 11.669 -6.363 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -0.066 12.568 -7.254 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -1.425 12.403 -8.348 1.00 0.78 H new ATOM 941 N VAL A 64 -0.211 9.762 -6.658 1.00 0.42 N ATOM 942 CA VAL A 64 0.302 8.530 -7.242 1.00 0.39 C ATOM 943 C VAL A 64 -0.304 7.284 -6.573 1.00 0.33 C ATOM 944 O VAL A 64 -0.356 6.203 -7.169 1.00 0.37 O ATOM 945 CB VAL A 64 1.864 8.493 -7.227 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.418 7.257 -7.928 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.425 9.755 -7.869 1.00 0.56 C ATOM 0 H VAL A 64 0.443 10.236 -6.035 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.011 8.515 -8.286 1.00 0.39 H new ATOM 0 HB VAL A 64 2.178 8.444 -6.184 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.507 7.276 -7.892 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.054 6.360 -7.427 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.090 7.250 -8.967 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.514 9.718 -7.853 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.079 9.823 -8.901 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.083 10.628 -7.314 1.00 0.56 H new ATOM 957 N ALA A 65 -0.854 7.460 -5.386 1.00 0.35 N ATOM 958 CA ALA A 65 -1.461 6.356 -4.666 1.00 0.38 C ATOM 959 C ALA A 65 -2.735 5.915 -5.366 1.00 0.43 C ATOM 960 O ALA A 65 -3.054 4.744 -5.410 1.00 0.47 O ATOM 961 CB ALA A 65 -1.746 6.744 -3.222 1.00 0.44 C ATOM 0 H ALA A 65 -0.893 8.356 -4.900 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.761 5.520 -4.656 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.201 5.901 -2.702 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.813 7.015 -2.727 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.428 7.594 -3.201 1.00 0.44 H new ATOM 967 N GLY A 66 -3.419 6.866 -5.973 1.00 0.49 N ATOM 968 CA GLY A 66 -4.656 6.563 -6.666 1.00 0.59 C ATOM 969 C GLY A 66 -4.421 6.205 -8.123 1.00 0.53 C ATOM 970 O GLY A 66 -5.358 6.154 -8.920 1.00 0.69 O ATOM 0 H GLY A 66 -3.142 7.847 -6.001 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.158 5.735 -6.166 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.324 7.422 -6.607 1.00 0.59 H new ATOM 974 N ARG A 67 -3.169 5.968 -8.476 1.00 0.45 N ATOM 975 CA ARG A 67 -2.809 5.629 -9.833 1.00 0.45 C ATOM 976 C ARG A 67 -2.449 4.153 -9.945 1.00 0.39 C ATOM 977 O ARG A 67 -2.039 3.681 -11.012 1.00 0.51 O ATOM 978 CB ARG A 67 -1.649 6.503 -10.308 1.00 0.56 C ATOM 979 CG ARG A 67 -1.958 7.995 -10.340 1.00 1.08 C ATOM 980 CD ARG A 67 -3.067 8.329 -11.327 1.00 1.48 C ATOM 981 NE ARG A 67 -3.460 9.753 -11.259 1.00 2.15 N ATOM 982 CZ ARG A 67 -3.801 10.509 -12.314 1.00 2.93 C ATOM 983 NH1 ARG A 67 -3.733 10.020 -13.538 1.00 3.24 N ATOM 984 NH2 ARG A 67 -4.187 11.780 -12.142 1.00 3.83 N ATOM 0 H ARG A 67 -2.380 6.006 -7.830 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.670 5.816 -10.474 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.793 6.335 -9.655 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.355 6.184 -11.308 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -2.249 8.326 -9.343 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.056 8.546 -10.608 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.736 8.092 -12.338 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -3.935 7.703 -11.122 1.00 1.48 H new ATOM 0 HE ARG A 67 -3.473 10.194 -10.340 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -3.419 9.061 -13.687 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -3.994 10.601 -14.335 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -4.223 12.180 -11.204 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -4.445 12.348 -12.949 1.00 3.83 H new ATOM 998 N VAL A 68 -2.589 3.427 -8.855 1.00 0.35 N ATOM 999 CA VAL A 68 -2.317 1.999 -8.875 1.00 0.34 C ATOM 1000 C VAL A 68 -3.618 1.209 -8.919 1.00 0.39 C ATOM 1001 O VAL A 68 -4.698 1.801 -8.901 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.392 1.518 -7.713 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.034 2.163 -7.834 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.991 1.830 -6.354 1.00 0.36 C ATOM 0 H VAL A 68 -2.886 3.795 -7.951 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.755 1.804 -9.788 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.292 0.436 -7.795 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.605 1.822 -7.019 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.416 1.887 -8.788 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.140 3.247 -7.782 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.318 1.480 -5.571 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.132 2.906 -6.257 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.953 1.328 -6.257 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.526 -0.092 -8.959 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.711 -0.956 -9.050 1.00 0.49 C ATOM 1016 C ASP A 69 -4.572 -2.102 -8.091 1.00 0.40 C ATOM 1017 O ASP A 69 -5.483 -2.411 -7.309 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.836 -1.490 -10.490 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.972 -2.458 -10.736 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.139 -2.128 -10.475 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.704 -3.557 -11.268 1.00 0.86 O ATOM 0 H ASP A 69 -2.641 -0.598 -8.931 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.604 -0.386 -8.795 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.955 -0.641 -11.163 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.901 -1.981 -10.758 1.00 0.68 H new ATOM 1026 N THR A 70 -3.428 -2.720 -8.148 1.00 0.38 N ATOM 1027 CA THR A 70 -3.113 -3.841 -7.331 1.00 0.35 C ATOM 1028 C THR A 70 -2.012 -3.450 -6.319 1.00 0.33 C ATOM 1029 O THR A 70 -1.212 -2.522 -6.583 1.00 0.33 O ATOM 1030 CB THR A 70 -2.631 -5.002 -8.239 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.433 -4.603 -8.928 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.699 -5.319 -9.279 1.00 0.47 C ATOM 0 H THR A 70 -2.676 -2.447 -8.780 1.00 0.38 H new ATOM 0 HA THR A 70 -3.994 -4.162 -6.776 1.00 0.35 H new ATOM 0 HB THR A 70 -2.439 -5.879 -7.621 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.666 -4.014 -9.676 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.357 -6.135 -9.915 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.621 -5.613 -8.776 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.885 -4.436 -9.890 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.960 -4.111 -5.142 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.959 -3.834 -4.111 1.00 0.33 C ATOM 1042 C PRO A 71 0.476 -4.011 -4.597 1.00 0.29 C ATOM 1043 O PRO A 71 1.376 -3.373 -4.074 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.286 -4.844 -3.007 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.715 -5.153 -3.218 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.901 -5.145 -4.698 1.00 0.39 C ATOM 0 HA PRO A 71 -1.006 -2.795 -3.785 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.668 -5.738 -3.088 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.110 -4.424 -2.017 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.975 -6.123 -2.793 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.354 -4.412 -2.737 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.672 -6.115 -5.139 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.927 -4.903 -4.975 1.00 0.39 H new ATOM 1054 N ARG A 72 0.690 -4.847 -5.622 1.00 0.31 N ATOM 1055 CA ARG A 72 2.044 -5.050 -6.139 1.00 0.31 C ATOM 1056 C ARG A 72 2.571 -3.790 -6.804 1.00 0.29 C ATOM 1057 O ARG A 72 3.766 -3.522 -6.775 1.00 0.31 O ATOM 1058 CB ARG A 72 2.158 -6.279 -7.066 1.00 0.36 C ATOM 1059 CG ARG A 72 1.390 -6.224 -8.378 1.00 0.48 C ATOM 1060 CD ARG A 72 1.453 -7.574 -9.091 1.00 0.58 C ATOM 1061 NE ARG A 72 2.837 -8.028 -9.365 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.225 -9.333 -9.399 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.356 -10.307 -9.153 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.482 -9.652 -9.698 1.00 2.47 N ATOM 0 H ARG A 72 -0.038 -5.380 -6.097 1.00 0.31 H new ATOM 0 HA ARG A 72 2.677 -5.266 -5.279 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.212 -6.434 -7.296 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.821 -7.155 -6.512 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.351 -5.955 -8.187 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.808 -5.448 -9.019 1.00 0.48 H new ATOM 0 HD2 ARG A 72 0.946 -8.323 -8.482 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.907 -7.506 -10.032 1.00 0.58 H new ATOM 0 HE ARG A 72 3.546 -7.316 -9.540 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.385 -10.082 -8.935 1.00 1.35 H new ATOM 0 HH12 ARG A 72 2.659 -11.280 -9.182 1.00 1.35 H new ATOM 0 HH21 ARG A 72 5.160 -8.918 -9.903 1.00 2.47 H new ATOM 0 HH22 ARG A 72 4.768 -10.631 -9.722 1.00 2.47 H new ATOM 1078 N GLU A 73 1.673 -2.999 -7.355 1.00 0.28 N ATOM 1079 CA GLU A 73 2.040 -1.745 -7.984 1.00 0.28 C ATOM 1080 C GLU A 73 2.377 -0.716 -6.910 1.00 0.25 C ATOM 1081 O GLU A 73 3.354 0.010 -7.020 1.00 0.25 O ATOM 1082 CB GLU A 73 0.903 -1.260 -8.866 1.00 0.33 C ATOM 1083 CG GLU A 73 0.576 -2.210 -9.998 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.708 -1.868 -10.694 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -1.770 -2.319 -10.232 1.00 2.06 O ATOM 1086 OE2 GLU A 73 -0.684 -1.166 -11.707 1.00 1.24 O ATOM 0 H GLU A 73 0.674 -3.205 -7.380 1.00 0.28 H new ATOM 0 HA GLU A 73 2.919 -1.891 -8.611 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.013 -1.116 -8.253 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.165 -0.287 -9.282 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.390 -2.198 -10.722 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.512 -3.225 -9.607 1.00 0.45 H new ATOM 1093 N LEU A 74 1.572 -0.707 -5.846 1.00 0.27 N ATOM 1094 CA LEU A 74 1.777 0.199 -4.707 1.00 0.27 C ATOM 1095 C LEU A 74 3.115 -0.125 -4.070 1.00 0.25 C ATOM 1096 O LEU A 74 3.943 0.748 -3.848 1.00 0.25 O ATOM 1097 CB LEU A 74 0.647 -0.005 -3.663 1.00 0.30 C ATOM 1098 CG LEU A 74 0.491 1.061 -2.519 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.586 0.966 -1.481 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.448 2.468 -3.110 1.00 1.00 C ATOM 0 H LEU A 74 0.764 -1.322 -5.746 1.00 0.27 H new ATOM 0 HA LEU A 74 1.761 1.234 -5.049 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.299 -0.056 -4.202 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.799 -0.977 -3.194 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.450 0.848 -2.012 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.428 1.725 -0.715 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.567 -0.022 -1.021 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.553 1.126 -1.957 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.340 3.197 -2.307 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.372 2.662 -3.654 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.399 2.551 -3.792 1.00 1.00 H new ATOM 1112 N LEU A 75 3.303 -1.394 -3.801 1.00 0.29 N ATOM 1113 CA LEU A 75 4.486 -1.913 -3.180 1.00 0.34 C ATOM 1114 C LEU A 75 5.730 -1.579 -3.999 1.00 0.29 C ATOM 1115 O LEU A 75 6.760 -1.199 -3.446 1.00 0.30 O ATOM 1116 CB LEU A 75 4.335 -3.413 -3.061 1.00 0.49 C ATOM 1117 CG LEU A 75 5.518 -4.157 -2.527 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.758 -3.852 -1.055 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.366 -5.632 -2.788 1.00 0.90 C ATOM 0 H LEU A 75 2.612 -2.112 -4.017 1.00 0.29 H new ATOM 0 HA LEU A 75 4.608 -1.459 -2.196 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.481 -3.621 -2.417 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.096 -3.812 -4.047 1.00 0.49 H new ATOM 0 HG LEU A 75 6.408 -3.815 -3.056 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.625 -4.411 -0.704 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.939 -2.785 -0.929 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.881 -4.142 -0.476 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.233 -6.162 -2.395 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.464 -5.997 -2.297 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.291 -5.806 -3.861 1.00 0.90 H new ATOM 1131 N ASP A 76 5.601 -1.676 -5.312 1.00 0.29 N ATOM 1132 CA ASP A 76 6.708 -1.418 -6.227 1.00 0.33 C ATOM 1133 C ASP A 76 7.114 0.039 -6.139 1.00 0.29 C ATOM 1134 O ASP A 76 8.307 0.363 -6.138 1.00 0.33 O ATOM 1135 CB ASP A 76 6.314 -1.769 -7.656 1.00 0.40 C ATOM 1136 CG ASP A 76 7.465 -1.678 -8.623 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.207 -2.672 -8.793 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.680 -0.591 -9.207 1.00 0.63 O ATOM 0 H ASP A 76 4.730 -1.935 -5.776 1.00 0.29 H new ATOM 0 HA ASP A 76 7.554 -2.044 -5.942 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.908 -2.780 -7.677 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.518 -1.099 -7.983 1.00 0.40 H new ATOM 1143 N LEU A 77 6.108 0.912 -6.016 1.00 0.25 N ATOM 1144 CA LEU A 77 6.332 2.341 -5.836 1.00 0.25 C ATOM 1145 C LEU A 77 7.141 2.578 -4.577 1.00 0.26 C ATOM 1146 O LEU A 77 8.140 3.296 -4.590 1.00 0.32 O ATOM 1147 CB LEU A 77 5.003 3.085 -5.701 1.00 0.26 C ATOM 1148 CG LEU A 77 4.056 3.047 -6.888 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.782 3.800 -6.554 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.718 3.642 -8.118 1.00 0.38 C ATOM 0 H LEU A 77 5.124 0.645 -6.039 1.00 0.25 H new ATOM 0 HA LEU A 77 6.869 2.711 -6.709 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.476 2.679 -4.837 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.223 4.129 -5.479 1.00 0.26 H new ATOM 0 HG LEU A 77 3.806 2.009 -7.106 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.107 3.769 -7.409 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.300 3.336 -5.694 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.023 4.837 -6.319 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.024 3.606 -8.958 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.993 4.678 -7.918 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.613 3.070 -8.362 1.00 0.38 H new ATOM 1162 N ILE A 78 6.704 1.937 -3.499 1.00 0.25 N ATOM 1163 CA ILE A 78 7.354 2.033 -2.202 1.00 0.29 C ATOM 1164 C ILE A 78 8.784 1.546 -2.314 1.00 0.34 C ATOM 1165 O ILE A 78 9.688 2.223 -1.890 1.00 0.40 O ATOM 1166 CB ILE A 78 6.606 1.195 -1.134 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.140 1.635 -1.026 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.298 1.302 0.228 1.00 0.43 C ATOM 1169 CD1 ILE A 78 4.940 3.091 -0.639 1.00 0.46 C ATOM 0 H ILE A 78 5.883 1.332 -3.503 1.00 0.25 H new ATOM 0 HA ILE A 78 7.338 3.077 -1.890 1.00 0.29 H new ATOM 0 HB ILE A 78 6.630 0.152 -1.449 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.650 1.457 -1.983 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.639 1.006 -0.290 1.00 0.36 H new ATOM 0 HG21 ILE A 78 6.754 0.705 0.960 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.320 0.933 0.147 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.313 2.344 0.548 1.00 0.43 H new ATOM 0 HD11 ILE A 78 3.874 3.311 -0.587 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.396 3.275 0.334 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.407 3.733 -1.386 1.00 0.46 H new ATOM 1181 N ASN A 79 8.969 0.372 -2.899 1.00 0.37 N ATOM 1182 CA ASN A 79 10.302 -0.212 -3.090 1.00 0.46 C ATOM 1183 C ASN A 79 11.225 0.739 -3.851 1.00 0.40 C ATOM 1184 O ASN A 79 12.371 0.959 -3.437 1.00 0.45 O ATOM 1185 CB ASN A 79 10.239 -1.583 -3.795 1.00 0.62 C ATOM 1186 CG ASN A 79 9.580 -2.686 -2.964 1.00 0.84 C ATOM 1187 OD1 ASN A 79 8.966 -3.597 -3.503 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.713 -2.622 -1.656 1.00 0.56 N ATOM 0 H ASN A 79 8.208 -0.206 -3.256 1.00 0.37 H new ATOM 0 HA ASN A 79 10.718 -0.371 -2.095 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.692 -1.473 -4.731 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.252 -1.893 -4.052 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.299 -3.343 -1.065 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.230 -1.851 -1.233 1.00 0.56 H new ATOM 1195 N GLY A 80 10.709 1.332 -4.925 1.00 0.38 N ATOM 1196 CA GLY A 80 11.475 2.291 -5.696 1.00 0.41 C ATOM 1197 C GLY A 80 11.820 3.530 -4.882 1.00 0.45 C ATOM 1198 O GLY A 80 12.972 3.981 -4.867 1.00 0.55 O ATOM 0 H GLY A 80 9.766 1.162 -5.275 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.393 1.822 -6.049 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.907 2.584 -6.579 1.00 0.41 H new ATOM 1202 N ALA A 81 10.835 4.060 -4.179 1.00 0.44 N ATOM 1203 CA ALA A 81 11.020 5.246 -3.348 1.00 0.51 C ATOM 1204 C ALA A 81 11.927 4.953 -2.145 1.00 0.54 C ATOM 1205 O ALA A 81 12.625 5.840 -1.642 1.00 0.69 O ATOM 1206 CB ALA A 81 9.674 5.771 -2.885 1.00 0.52 C ATOM 0 H ALA A 81 9.886 3.685 -4.165 1.00 0.44 H new ATOM 0 HA ALA A 81 11.511 6.009 -3.952 1.00 0.51 H new ATOM 0 HB1 ALA A 81 9.822 6.656 -2.266 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.068 6.032 -3.752 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.164 5.003 -2.304 1.00 0.52 H new ATOM 1212 N LEU A 82 11.922 3.714 -1.703 1.00 0.44 N ATOM 1213 CA LEU A 82 12.708 3.261 -0.590 1.00 0.50 C ATOM 1214 C LEU A 82 14.176 3.179 -0.974 1.00 0.60 C ATOM 1215 O LEU A 82 15.050 3.435 -0.149 1.00 0.70 O ATOM 1216 CB LEU A 82 12.174 1.908 -0.118 1.00 0.48 C ATOM 1217 CG LEU A 82 12.905 1.239 1.027 1.00 0.58 C ATOM 1218 CD1 LEU A 82 12.853 2.091 2.293 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.336 -0.138 1.277 1.00 0.66 C ATOM 0 H LEU A 82 11.354 2.979 -2.123 1.00 0.44 H new ATOM 0 HA LEU A 82 12.629 3.973 0.232 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.133 2.039 0.176 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.181 1.226 -0.968 1.00 0.48 H new ATOM 0 HG LEU A 82 13.953 1.135 0.747 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.387 1.583 3.096 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.321 3.057 2.101 1.00 0.60 H new ATOM 0 HD13 LEU A 82 11.814 2.243 2.587 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.870 -0.608 2.103 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.279 -0.055 1.530 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.448 -0.746 0.379 1.00 0.66 H new ATOM 1231 N ALA A 83 14.442 2.871 -2.238 1.00 0.64 N ATOM 1232 CA ALA A 83 15.806 2.830 -2.744 1.00 0.79 C ATOM 1233 C ALA A 83 16.421 4.240 -2.703 1.00 0.95 C ATOM 1234 O ALA A 83 17.636 4.405 -2.579 1.00 1.13 O ATOM 1235 CB ALA A 83 15.835 2.262 -4.156 1.00 0.86 C ATOM 0 H ALA A 83 13.729 2.646 -2.931 1.00 0.64 H new ATOM 0 HA ALA A 83 16.401 2.174 -2.109 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.863 2.239 -4.518 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.430 1.250 -4.150 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.233 2.890 -4.813 1.00 0.86 H new ATOM 1241 N GLU A 84 15.559 5.244 -2.797 1.00 0.95 N ATOM 1242 CA GLU A 84 15.941 6.631 -2.685 1.00 1.17 C ATOM 1243 C GLU A 84 16.123 7.007 -1.207 1.00 1.25 C ATOM 1244 O GLU A 84 17.096 7.644 -0.825 1.00 1.52 O ATOM 1245 CB GLU A 84 14.828 7.492 -3.272 1.00 1.23 C ATOM 1246 CG GLU A 84 14.634 7.381 -4.770 1.00 1.40 C ATOM 1247 CD GLU A 84 15.763 8.001 -5.555 1.00 1.80 C ATOM 1248 OE1 GLU A 84 15.886 9.249 -5.549 1.00 2.17 O ATOM 1249 OE2 GLU A 84 16.486 7.275 -6.254 1.00 2.47 O ATOM 0 H GLU A 84 14.561 5.107 -2.956 1.00 0.95 H new ATOM 0 HA GLU A 84 16.877 6.793 -3.219 1.00 1.17 H new ATOM 0 HB2 GLU A 84 13.891 7.226 -2.782 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.032 8.534 -3.027 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.543 6.330 -5.043 1.00 1.40 H new ATOM 0 HG3 GLU A 84 13.697 7.864 -5.047 1.00 1.40 H new ATOM 1256 N ALA A 85 15.177 6.590 -0.389 1.00 1.13 N ATOM 1257 CA ALA A 85 15.147 6.926 1.034 1.00 1.31 C ATOM 1258 C ALA A 85 16.322 6.345 1.820 1.00 1.69 C ATOM 1259 O ALA A 85 16.969 7.059 2.592 1.00 2.07 O ATOM 1260 CB ALA A 85 13.836 6.484 1.653 1.00 1.28 C ATOM 0 H ALA A 85 14.398 6.003 -0.689 1.00 1.13 H new ATOM 0 HA ALA A 85 15.238 8.011 1.095 1.00 1.31 H new ATOM 0 HB1 ALA A 85 13.829 6.741 2.712 1.00 1.28 H new ATOM 0 HB2 ALA A 85 13.009 6.987 1.152 1.00 1.28 H new ATOM 0 HB3 ALA A 85 13.726 5.405 1.541 1.00 1.28 H new ATOM 1266 N ALA A 86 16.602 5.079 1.625 1.00 1.91 N ATOM 1267 CA ALA A 86 17.654 4.424 2.369 1.00 2.53 C ATOM 1268 C ALA A 86 18.903 4.280 1.518 1.00 2.95 C ATOM 1269 O ALA A 86 19.641 5.280 1.353 1.00 3.39 O ATOM 1270 CB ALA A 86 17.171 3.072 2.876 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.184 3.176 1.016 1.00 3.44 O ATOM 0 H ALA A 86 16.116 4.480 0.957 1.00 1.91 H new ATOM 0 HA ALA A 86 17.912 5.039 3.231 1.00 2.53 H new ATOM 0 HB1 ALA A 86 17.971 2.586 3.435 1.00 3.21 H new ATOM 0 HB2 ALA A 86 16.308 3.214 3.526 1.00 3.21 H new ATOM 0 HB3 ALA A 86 16.888 2.446 2.030 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -11.963 8.891 -1.569 1.00 1.71 P HETATM 1279 O26 SDO A 101 -13.058 8.783 -0.503 1.00 2.14 O HETATM 1280 O23 SDO A 101 -12.215 8.229 -2.949 1.00 2.28 O HETATM 1281 O27 SDO A 101 -11.606 10.378 -1.801 1.00 1.72 O HETATM 1282 C28 SDO A 101 -11.130 11.145 -0.643 1.00 1.71 C HETATM 1283 C29 SDO A 101 -10.814 12.591 -1.031 1.00 1.77 C HETATM 1284 C30 SDO A 101 -10.364 13.309 0.226 1.00 1.95 C HETATM 1285 C31 SDO A 101 -9.667 12.610 -2.054 1.00 1.99 C HETATM 1286 C32 SDO A 101 -12.105 13.298 -1.654 1.00 2.08 C HETATM 1287 O33 SDO A 101 -11.793 14.582 -2.214 1.00 2.35 O HETATM 1288 C34 SDO A 101 -13.267 13.458 -0.630 1.00 2.45 C HETATM 1289 O35 SDO A 101 -13.488 12.648 0.280 1.00 3.01 O HETATM 1290 N36 SDO A 101 -14.009 14.521 -0.799 1.00 2.76 N HETATM 1291 C37 SDO A 101 -15.162 14.863 0.054 1.00 3.46 C HETATM 1292 C38 SDO A 101 -15.033 16.242 0.704 1.00 3.69 C HETATM 1293 C39 SDO A 101 -13.915 16.356 1.758 1.00 3.12 C HETATM 1294 O40 SDO A 101 -13.578 17.454 2.221 1.00 3.47 O HETATM 1295 N41 SDO A 101 -13.337 15.218 2.129 1.00 2.75 N HETATM 1296 C42 SDO A 101 -12.253 15.149 3.093 1.00 2.56 C HETATM 1297 C43 SDO A 101 -12.054 13.765 3.655 1.00 3.16 C HETATM 1298 S1 SDO A 101 -10.556 13.454 4.646 1.00 3.65 S HETATM 1299 C1 SDO A 101 -9.412 14.865 4.865 1.00 3.41 C HETATM 1300 C2 SDO A 101 -9.754 16.203 4.223 1.00 3.06 C HETATM 1301 C3 SDO A 101 -8.796 17.451 4.391 1.00 3.84 C HETATM 1302 O3 SDO A 101 -9.164 18.502 3.832 1.00 4.23 O HETATM 1303 C4 SDO A 101 -7.423 17.502 5.181 1.00 4.62 C HETATM 1304 C5 SDO A 101 -6.913 16.253 5.893 1.00 4.78 C HETATM 1305 C6 SDO A 101 -5.565 16.500 6.566 1.00 5.75 C HETATM 1306 C7 SDO A 101 -4.974 15.261 7.254 1.00 6.28 C HETATM 1307 O7 SDO A 101 -3.885 15.325 7.836 1.00 7.10 O HETATM 1308 C8 SDO A 101 -5.747 13.949 7.200 1.00 6.09 C