USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 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 Set 1.1: A 17 SER OG : rot -55:sc= 1.54 USER MOD Set 1.2: A 48 THR OG1 : rot -25:sc= 0.331 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.131 (180deg=-0.631) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0841 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc=0.000394 USER MOD Single : A 7 THR OG1 : rot 100:sc= 0.121 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 178:sc= 1.1 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.267 (180deg=-0.859) USER MOD Single : A 54 SER OG : rot 79:sc= 0.792 USER MOD Single : A 56 TYR OH : rot 9:sc= 1.24 USER MOD Single : A 59 SER OG : rot 77:sc= 1.21 USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.937 USER MOD Single : A 79 ASN : amide:sc= 1.65 K(o=1.6,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.595 -5.569 1.510 1.00 4.11 N ATOM 2 CA MET A 1 21.144 -5.723 1.566 1.00 3.57 C ATOM 3 C MET A 1 20.520 -4.546 2.268 1.00 2.82 C ATOM 4 O MET A 1 21.175 -3.866 3.070 1.00 3.20 O ATOM 5 CB MET A 1 20.714 -7.037 2.257 1.00 4.13 C ATOM 6 CG MET A 1 21.056 -7.131 3.738 1.00 4.73 C ATOM 7 SD MET A 1 20.474 -8.662 4.505 1.00 5.41 S ATOM 8 CE MET A 1 18.695 -8.499 4.296 1.00 6.05 C ATOM 0 H1 MET A 1 22.892 -5.436 0.522 1.00 4.11 H new ATOM 0 H2 MET A 1 22.878 -4.740 2.071 1.00 4.11 H new ATOM 0 H3 MET A 1 23.050 -6.421 1.897 1.00 4.11 H new ATOM 0 HA MET A 1 20.790 -5.767 0.536 1.00 3.57 H new ATOM 0 HB2 MET A 1 19.637 -7.154 2.141 1.00 4.13 H new ATOM 0 HB3 MET A 1 21.184 -7.873 1.738 1.00 4.13 H new ATOM 0 HG2 MET A 1 22.137 -7.058 3.860 1.00 4.73 H new ATOM 0 HG3 MET A 1 20.618 -6.281 4.261 1.00 4.73 H new ATOM 0 HE1 MET A 1 18.184 -9.152 5.003 1.00 6.05 H new ATOM 0 HE2 MET A 1 18.400 -7.466 4.479 1.00 6.05 H new ATOM 0 HE3 MET A 1 18.421 -8.780 3.279 1.00 6.05 H new ATOM 20 N ALA A 2 19.281 -4.298 1.957 1.00 2.27 N ATOM 21 CA ALA A 2 18.499 -3.267 2.585 1.00 2.03 C ATOM 22 C ALA A 2 17.146 -3.858 2.908 1.00 1.61 C ATOM 23 O ALA A 2 16.806 -4.913 2.366 1.00 2.08 O ATOM 24 CB ALA A 2 18.358 -2.064 1.657 1.00 2.71 C ATOM 0 H ALA A 2 18.772 -4.818 1.243 1.00 2.27 H new ATOM 0 HA ALA A 2 18.985 -2.917 3.496 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.764 -1.293 2.148 1.00 2.71 H new ATOM 0 HB2 ALA A 2 19.346 -1.667 1.424 1.00 2.71 H new ATOM 0 HB3 ALA A 2 17.864 -2.371 0.735 1.00 2.71 H new ATOM 30 N THR A 3 16.390 -3.212 3.771 1.00 1.31 N ATOM 31 CA THR A 3 15.064 -3.688 4.143 1.00 1.19 C ATOM 32 C THR A 3 14.066 -3.398 3.009 1.00 0.95 C ATOM 33 O THR A 3 13.327 -2.412 3.037 1.00 1.12 O ATOM 34 CB THR A 3 14.587 -3.017 5.457 1.00 1.56 C ATOM 35 OG1 THR A 3 15.619 -3.153 6.455 1.00 2.44 O ATOM 36 CG2 THR A 3 13.309 -3.670 5.977 1.00 2.02 C ATOM 0 H THR A 3 16.670 -2.348 4.234 1.00 1.31 H new ATOM 0 HA THR A 3 15.117 -4.764 4.308 1.00 1.19 H new ATOM 0 HB THR A 3 14.382 -1.966 5.253 1.00 1.56 H new ATOM 0 HG1 THR A 3 15.326 -2.730 7.289 1.00 2.44 H new ATOM 0 HG21 THR A 3 12.999 -3.179 6.899 1.00 2.02 H new ATOM 0 HG22 THR A 3 12.521 -3.572 5.231 1.00 2.02 H new ATOM 0 HG23 THR A 3 13.494 -4.726 6.173 1.00 2.02 H new ATOM 44 N LEU A 4 14.147 -4.196 1.984 1.00 0.80 N ATOM 45 CA LEU A 4 13.306 -4.065 0.840 1.00 0.65 C ATOM 46 C LEU A 4 12.015 -4.796 1.167 1.00 0.68 C ATOM 47 O LEU A 4 12.038 -6.000 1.467 1.00 0.86 O ATOM 48 CB LEU A 4 14.002 -4.704 -0.363 1.00 0.70 C ATOM 49 CG LEU A 4 13.542 -4.245 -1.740 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.934 -2.785 -1.968 1.00 0.70 C ATOM 51 CD2 LEU A 4 14.134 -5.135 -2.815 1.00 1.01 C ATOM 0 H LEU A 4 14.812 -4.967 1.923 1.00 0.80 H new ATOM 0 HA LEU A 4 13.101 -3.022 0.597 1.00 0.65 H new ATOM 0 HB2 LEU A 4 15.072 -4.512 -0.280 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.867 -5.784 -0.301 1.00 0.70 H new ATOM 0 HG LEU A 4 12.456 -4.321 -1.793 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.600 -2.469 -2.956 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.465 -2.159 -1.209 1.00 0.70 H new ATOM 0 HD13 LEU A 4 15.017 -2.685 -1.902 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.797 -4.796 -3.795 1.00 1.01 H new ATOM 0 HD22 LEU A 4 15.222 -5.087 -2.769 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.809 -6.163 -2.656 1.00 1.01 H new ATOM 63 N LEU A 5 10.910 -4.085 1.144 1.00 0.60 N ATOM 64 CA LEU A 5 9.634 -4.640 1.559 1.00 0.64 C ATOM 65 C LEU A 5 9.147 -5.717 0.638 1.00 0.59 C ATOM 66 O LEU A 5 9.279 -5.620 -0.592 1.00 0.61 O ATOM 67 CB LEU A 5 8.536 -3.588 1.719 1.00 0.69 C ATOM 68 CG LEU A 5 8.668 -2.606 2.870 1.00 0.90 C ATOM 69 CD1 LEU A 5 9.654 -1.479 2.561 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.300 -2.082 3.259 1.00 1.54 C ATOM 0 H LEU A 5 10.866 -3.112 0.840 1.00 0.60 H new ATOM 0 HA LEU A 5 9.836 -5.073 2.539 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.481 -3.015 0.793 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.585 -4.109 1.829 1.00 0.69 H new ATOM 0 HG LEU A 5 9.087 -3.136 3.725 1.00 0.90 H new ATOM 0 HD11 LEU A 5 9.713 -0.803 3.414 1.00 1.61 H new ATOM 0 HD12 LEU A 5 10.639 -1.901 2.363 1.00 1.61 H new ATOM 0 HD13 LEU A 5 9.313 -0.928 1.685 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.401 -1.378 4.085 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.848 -1.577 2.405 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.666 -2.913 3.567 1.00 1.54 H new ATOM 82 N THR A 6 8.603 -6.733 1.232 1.00 0.61 N ATOM 83 CA THR A 6 8.050 -7.832 0.530 1.00 0.63 C ATOM 84 C THR A 6 6.540 -7.898 0.749 1.00 0.57 C ATOM 85 O THR A 6 5.950 -7.012 1.401 1.00 0.59 O ATOM 86 CB THR A 6 8.705 -9.145 0.995 1.00 0.79 C ATOM 87 OG1 THR A 6 8.693 -9.196 2.447 1.00 0.95 O ATOM 88 CG2 THR A 6 10.138 -9.245 0.499 1.00 0.97 C ATOM 0 H THR A 6 8.533 -6.816 2.246 1.00 0.61 H new ATOM 0 HA THR A 6 8.245 -7.696 -0.534 1.00 0.63 H new ATOM 0 HB THR A 6 8.139 -9.981 0.583 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.108 -10.031 2.748 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.577 -10.182 0.842 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.149 -9.216 -0.591 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.717 -8.408 0.890 1.00 0.97 H new ATOM 96 N THR A 7 5.949 -8.957 0.263 1.00 0.60 N ATOM 97 CA THR A 7 4.542 -9.226 0.356 1.00 0.59 C ATOM 98 C THR A 7 4.084 -9.235 1.824 1.00 0.53 C ATOM 99 O THR A 7 3.119 -8.558 2.192 1.00 0.56 O ATOM 100 CB THR A 7 4.347 -10.614 -0.228 1.00 0.69 C ATOM 101 OG1 THR A 7 5.432 -10.856 -1.154 1.00 0.90 O ATOM 102 CG2 THR A 7 3.035 -10.681 -0.973 1.00 0.81 C ATOM 0 H THR A 7 6.461 -9.688 -0.231 1.00 0.60 H new ATOM 0 HA THR A 7 3.966 -8.464 -0.169 1.00 0.59 H new ATOM 0 HB THR A 7 4.337 -11.360 0.567 1.00 0.69 H new ATOM 0 HG1 THR A 7 6.115 -11.408 -0.720 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.903 -11.680 -1.389 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.216 -10.462 -0.288 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.038 -9.949 -1.781 1.00 0.81 H new ATOM 110 N ASP A 8 4.811 -9.997 2.645 1.00 0.54 N ATOM 111 CA ASP A 8 4.491 -10.201 4.065 1.00 0.54 C ATOM 112 C ASP A 8 4.308 -8.899 4.825 1.00 0.52 C ATOM 113 O ASP A 8 3.343 -8.745 5.566 1.00 0.54 O ATOM 114 CB ASP A 8 5.555 -11.062 4.774 1.00 0.63 C ATOM 115 CG ASP A 8 5.647 -12.467 4.231 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.864 -13.333 4.680 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.505 -12.735 3.365 1.00 2.26 O ATOM 0 H ASP A 8 5.647 -10.496 2.342 1.00 0.54 H new ATOM 0 HA ASP A 8 3.538 -10.730 4.072 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.527 -10.578 4.677 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.326 -11.106 5.839 1.00 0.63 H new ATOM 122 N ASP A 9 5.204 -7.946 4.619 1.00 0.57 N ATOM 123 CA ASP A 9 5.133 -6.694 5.382 1.00 0.64 C ATOM 124 C ASP A 9 3.988 -5.831 4.891 1.00 0.59 C ATOM 125 O ASP A 9 3.279 -5.205 5.693 1.00 0.63 O ATOM 126 CB ASP A 9 6.431 -5.891 5.331 1.00 0.79 C ATOM 127 CG ASP A 9 6.444 -4.803 6.388 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.532 -5.117 7.575 1.00 1.70 O ATOM 129 OD2 ASP A 9 6.381 -3.587 6.024 1.00 2.47 O ATOM 0 H ASP A 9 5.972 -8.004 3.950 1.00 0.57 H new ATOM 0 HA ASP A 9 4.964 -6.981 6.420 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.280 -6.558 5.481 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.547 -5.444 4.344 1.00 0.79 H new ATOM 134 N LEU A 10 3.777 -5.835 3.575 1.00 0.54 N ATOM 135 CA LEU A 10 2.703 -5.054 2.974 1.00 0.54 C ATOM 136 C LEU A 10 1.361 -5.560 3.454 1.00 0.53 C ATOM 137 O LEU A 10 0.463 -4.774 3.722 1.00 0.59 O ATOM 138 CB LEU A 10 2.745 -5.096 1.450 1.00 0.55 C ATOM 139 CG LEU A 10 1.692 -4.219 0.756 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.961 -2.740 1.016 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.633 -4.513 -0.727 1.00 0.65 C ATOM 0 H LEU A 10 4.335 -6.369 2.909 1.00 0.54 H new ATOM 0 HA LEU A 10 2.845 -4.019 3.285 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.735 -4.783 1.118 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.611 -6.128 1.124 1.00 0.55 H new ATOM 0 HG LEU A 10 0.717 -4.461 1.180 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.203 -2.139 0.515 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.927 -2.547 2.088 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.946 -2.476 0.631 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.880 -3.879 -1.194 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.606 -4.313 -1.177 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.371 -5.560 -0.880 1.00 0.65 H new ATOM 153 N ARG A 11 1.247 -6.886 3.568 1.00 0.49 N ATOM 154 CA ARG A 11 0.046 -7.542 4.068 1.00 0.50 C ATOM 155 C ARG A 11 -0.348 -6.952 5.416 1.00 0.54 C ATOM 156 O ARG A 11 -1.471 -6.540 5.612 1.00 0.63 O ATOM 157 CB ARG A 11 0.300 -9.052 4.195 1.00 0.51 C ATOM 158 CG ARG A 11 -0.863 -9.870 4.755 1.00 0.61 C ATOM 159 CD ARG A 11 -0.513 -11.353 4.799 1.00 0.72 C ATOM 160 NE ARG A 11 0.659 -11.625 5.647 1.00 0.96 N ATOM 161 CZ ARG A 11 1.741 -12.327 5.267 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.779 -12.921 4.072 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.775 -12.455 6.088 1.00 1.80 N ATOM 0 H ARG A 11 1.992 -7.534 3.313 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.774 -7.379 3.368 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.556 -9.444 3.211 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.169 -9.204 4.835 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.109 -9.520 5.758 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.749 -9.719 4.138 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.368 -11.915 5.174 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.317 -11.708 3.787 1.00 0.72 H new ATOM 0 HE ARG A 11 0.650 -11.252 6.596 1.00 0.96 H new ATOM 0 HH11 ARG A 11 0.983 -12.844 3.439 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.604 -13.451 3.792 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.751 -12.020 7.010 1.00 1.80 H new ATOM 0 HH22 ARG A 11 3.594 -12.988 5.797 1.00 1.80 H new ATOM 177 N ARG A 12 0.618 -6.857 6.295 1.00 0.54 N ATOM 178 CA ARG A 12 0.421 -6.338 7.650 1.00 0.60 C ATOM 179 C ARG A 12 0.040 -4.869 7.606 1.00 0.58 C ATOM 180 O ARG A 12 -0.971 -4.464 8.185 1.00 0.66 O ATOM 181 CB ARG A 12 1.714 -6.476 8.431 1.00 0.68 C ATOM 182 CG ARG A 12 2.303 -7.868 8.419 1.00 0.80 C ATOM 183 CD ARG A 12 3.693 -7.866 9.018 1.00 0.96 C ATOM 184 NE ARG A 12 3.685 -7.471 10.427 1.00 1.50 N ATOM 185 CZ ARG A 12 4.532 -6.604 10.998 1.00 2.02 C ATOM 186 NH1 ARG A 12 5.385 -5.872 10.252 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.511 -6.454 12.314 1.00 2.93 N ATOM 0 H ARG A 12 1.579 -7.138 6.100 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.378 -6.905 8.127 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.447 -5.780 8.023 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.534 -6.179 9.464 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.660 -8.545 8.982 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.343 -8.243 7.396 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.129 -8.860 8.923 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.329 -7.184 8.454 1.00 0.96 H new ATOM 0 HE ARG A 12 2.974 -7.892 11.025 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.392 -5.974 9.237 1.00 2.23 H new ATOM 0 HH12 ARG A 12 6.023 -5.216 10.703 1.00 2.23 H new ATOM 0 HH21 ARG A 12 3.856 -6.995 12.879 1.00 2.93 H new ATOM 0 HH22 ARG A 12 5.150 -5.798 12.763 1.00 2.93 H new ATOM 201 N ALA A 13 0.837 -4.090 6.890 1.00 0.54 N ATOM 202 CA ALA A 13 0.666 -2.650 6.822 1.00 0.58 C ATOM 203 C ALA A 13 -0.647 -2.239 6.171 1.00 0.56 C ATOM 204 O ALA A 13 -1.259 -1.261 6.583 1.00 0.65 O ATOM 205 CB ALA A 13 1.842 -2.002 6.117 1.00 0.66 C ATOM 0 H ALA A 13 1.621 -4.441 6.340 1.00 0.54 H new ATOM 0 HA ALA A 13 0.629 -2.292 7.851 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.693 -0.923 6.077 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.760 -2.222 6.663 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.920 -2.395 5.103 1.00 0.66 H new ATOM 211 N LEU A 14 -1.076 -2.983 5.167 1.00 0.53 N ATOM 212 CA LEU A 14 -2.324 -2.699 4.479 1.00 0.59 C ATOM 213 C LEU A 14 -3.506 -2.815 5.454 1.00 0.75 C ATOM 214 O LEU A 14 -4.412 -1.969 5.463 1.00 1.02 O ATOM 215 CB LEU A 14 -2.502 -3.671 3.305 1.00 0.54 C ATOM 216 CG LEU A 14 -3.662 -3.388 2.359 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.476 -2.038 1.689 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.781 -4.491 1.319 1.00 1.06 C ATOM 0 H LEU A 14 -0.574 -3.795 4.807 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.294 -1.680 4.093 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.580 -3.676 2.723 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.629 -4.675 3.710 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.586 -3.363 2.937 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.312 -1.848 1.016 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.437 -1.257 2.449 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.545 -2.039 1.121 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.615 -4.273 0.651 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.858 -4.547 0.741 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.955 -5.444 1.818 1.00 1.06 H new ATOM 230 N VAL A 15 -3.451 -3.831 6.315 1.00 0.71 N ATOM 231 CA VAL A 15 -4.508 -4.098 7.299 1.00 0.83 C ATOM 232 C VAL A 15 -4.638 -2.934 8.287 1.00 0.85 C ATOM 233 O VAL A 15 -5.729 -2.611 8.747 1.00 0.98 O ATOM 234 CB VAL A 15 -4.234 -5.416 8.091 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.351 -5.723 9.086 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.078 -6.569 7.140 1.00 0.91 C ATOM 0 H VAL A 15 -2.676 -4.493 6.353 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.440 -4.210 6.745 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.311 -5.273 8.652 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.122 -6.647 9.616 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.435 -4.905 9.802 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.294 -5.836 8.551 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.887 -7.482 7.704 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.992 -6.686 6.557 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.242 -6.376 6.468 1.00 0.91 H new ATOM 246 N GLU A 16 -3.528 -2.276 8.547 1.00 0.81 N ATOM 247 CA GLU A 16 -3.468 -1.183 9.502 1.00 0.87 C ATOM 248 C GLU A 16 -4.328 0.022 9.073 1.00 0.89 C ATOM 249 O GLU A 16 -4.759 0.811 9.917 1.00 1.05 O ATOM 250 CB GLU A 16 -2.021 -0.754 9.715 1.00 0.91 C ATOM 251 CG GLU A 16 -1.117 -1.881 10.191 1.00 1.00 C ATOM 252 CD GLU A 16 -1.529 -2.453 11.529 1.00 1.30 C ATOM 253 OE1 GLU A 16 -1.805 -1.678 12.469 1.00 1.90 O ATOM 254 OE2 GLU A 16 -1.602 -3.686 11.658 1.00 1.91 O ATOM 0 H GLU A 16 -2.635 -2.484 8.100 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.881 -1.550 10.442 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.628 -0.354 8.780 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.994 0.055 10.445 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.118 -2.678 9.447 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.094 -1.512 10.261 1.00 1.00 H new ATOM 261 N SER A 17 -4.595 0.146 7.782 1.00 0.82 N ATOM 262 CA SER A 17 -5.406 1.244 7.281 1.00 0.93 C ATOM 263 C SER A 17 -6.903 0.893 7.265 1.00 1.03 C ATOM 264 O SER A 17 -7.764 1.718 6.892 1.00 1.22 O ATOM 265 CB SER A 17 -4.916 1.656 5.912 1.00 0.96 C ATOM 266 OG SER A 17 -3.543 2.012 5.991 1.00 1.58 O ATOM 0 H SER A 17 -4.263 -0.498 7.064 1.00 0.82 H new ATOM 0 HA SER A 17 -5.297 2.089 7.961 1.00 0.93 H new ATOM 0 HB2 SER A 17 -5.051 0.839 5.204 1.00 0.96 H new ATOM 0 HB3 SER A 17 -5.501 2.498 5.542 1.00 0.96 H new ATOM 0 HG SER A 17 -3.423 2.702 6.676 1.00 1.58 H new ATOM 272 N ALA A 18 -7.213 -0.308 7.681 1.00 1.04 N ATOM 273 CA ALA A 18 -8.565 -0.747 7.790 1.00 1.24 C ATOM 274 C ALA A 18 -8.962 -0.647 9.252 1.00 1.43 C ATOM 275 O ALA A 18 -8.367 -1.302 10.111 1.00 1.88 O ATOM 276 CB ALA A 18 -8.700 -2.169 7.284 1.00 1.25 C ATOM 0 H ALA A 18 -6.523 -1.008 7.954 1.00 1.04 H new ATOM 0 HA ALA A 18 -9.223 -0.126 7.182 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.738 -2.490 7.374 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -8.395 -2.214 6.238 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -8.064 -2.828 7.876 1.00 1.25 H new ATOM 282 N GLY A 19 -9.934 0.175 9.538 1.00 1.86 N ATOM 283 CA GLY A 19 -10.307 0.415 10.904 1.00 2.13 C ATOM 284 C GLY A 19 -11.389 -0.516 11.364 1.00 2.09 C ATOM 285 O GLY A 19 -11.145 -1.438 12.137 1.00 2.45 O ATOM 0 H GLY A 19 -10.480 0.688 8.846 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -9.433 0.299 11.544 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -10.646 1.445 11.011 1.00 2.13 H new ATOM 289 N GLU A 20 -12.568 -0.323 10.841 1.00 2.13 N ATOM 290 CA GLU A 20 -13.724 -1.114 11.242 1.00 2.46 C ATOM 291 C GLU A 20 -13.995 -2.182 10.204 1.00 2.48 C ATOM 292 O GLU A 20 -14.989 -2.902 10.252 1.00 3.18 O ATOM 293 CB GLU A 20 -14.950 -0.212 11.432 1.00 3.09 C ATOM 294 CG GLU A 20 -15.301 0.628 10.214 1.00 3.54 C ATOM 295 CD GLU A 20 -16.568 1.412 10.402 1.00 4.23 C ATOM 296 OE1 GLU A 20 -17.661 0.868 10.163 1.00 4.67 O ATOM 297 OE2 GLU A 20 -16.488 2.591 10.795 1.00 4.69 O ATOM 0 H GLU A 20 -12.766 0.380 10.128 1.00 2.13 H new ATOM 0 HA GLU A 20 -13.513 -1.599 12.195 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -15.808 -0.833 11.690 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -14.771 0.452 12.278 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -14.481 1.314 10.001 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -15.406 -0.023 9.346 1.00 3.54 H new ATOM 304 N THR A 21 -13.096 -2.274 9.278 1.00 2.07 N ATOM 305 CA THR A 21 -13.183 -3.189 8.195 1.00 2.31 C ATOM 306 C THR A 21 -12.139 -4.302 8.409 1.00 2.42 C ATOM 307 O THR A 21 -11.045 -4.246 7.870 1.00 2.89 O ATOM 308 CB THR A 21 -12.889 -2.403 6.896 1.00 2.31 C ATOM 309 OG1 THR A 21 -13.688 -1.194 6.895 1.00 2.58 O ATOM 310 CG2 THR A 21 -13.207 -3.220 5.649 1.00 2.00 C ATOM 0 H THR A 21 -12.257 -1.695 9.257 1.00 2.07 H new ATOM 0 HA THR A 21 -14.170 -3.646 8.130 1.00 2.31 H new ATOM 0 HB THR A 21 -11.825 -2.168 6.872 1.00 2.31 H new ATOM 0 HG1 THR A 21 -13.510 -0.685 6.077 1.00 2.58 H new ATOM 0 HG21 THR A 21 -12.985 -2.629 4.760 1.00 2.00 H new ATOM 0 HG22 THR A 21 -12.600 -4.126 5.643 1.00 2.00 H new ATOM 0 HG23 THR A 21 -14.263 -3.491 5.651 1.00 2.00 H new ATOM 318 N ASP A 22 -12.436 -5.241 9.287 1.00 2.59 N ATOM 319 CA ASP A 22 -11.498 -6.312 9.583 1.00 2.92 C ATOM 320 C ASP A 22 -12.072 -7.657 9.202 1.00 2.46 C ATOM 321 O ASP A 22 -12.856 -8.263 9.940 1.00 3.05 O ATOM 322 CB ASP A 22 -11.053 -6.310 11.055 1.00 3.98 C ATOM 323 CG ASP A 22 -10.079 -7.437 11.381 1.00 4.45 C ATOM 324 OD1 ASP A 22 -8.916 -7.389 10.937 1.00 4.98 O ATOM 325 OD2 ASP A 22 -10.446 -8.386 12.095 1.00 4.62 O ATOM 0 H ASP A 22 -13.313 -5.286 9.806 1.00 2.59 H new ATOM 0 HA ASP A 22 -10.610 -6.128 8.978 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -10.585 -5.353 11.287 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -11.931 -6.399 11.695 1.00 3.98 H new ATOM 330 N GLY A 23 -11.741 -8.082 8.018 1.00 1.97 N ATOM 331 CA GLY A 23 -12.175 -9.368 7.547 1.00 2.01 C ATOM 332 C GLY A 23 -11.736 -9.634 6.138 1.00 1.57 C ATOM 333 O GLY A 23 -12.211 -10.574 5.498 1.00 1.97 O ATOM 0 H GLY A 23 -11.170 -7.556 7.357 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -11.780 -10.145 8.201 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -13.262 -9.426 7.604 1.00 2.01 H new ATOM 337 N THR A 24 -10.819 -8.831 5.671 1.00 1.42 N ATOM 338 CA THR A 24 -10.277 -8.919 4.365 1.00 1.24 C ATOM 339 C THR A 24 -9.178 -9.978 4.341 1.00 1.16 C ATOM 340 O THR A 24 -8.059 -9.739 4.817 1.00 1.49 O ATOM 341 CB THR A 24 -9.711 -7.537 4.028 1.00 1.62 C ATOM 342 OG1 THR A 24 -9.296 -6.890 5.266 1.00 2.43 O ATOM 343 CG2 THR A 24 -10.748 -6.676 3.328 1.00 1.98 C ATOM 0 H THR A 24 -10.421 -8.070 6.222 1.00 1.42 H new ATOM 0 HA THR A 24 -11.031 -9.208 3.633 1.00 1.24 H new ATOM 0 HB THR A 24 -8.862 -7.657 3.355 1.00 1.62 H new ATOM 0 HG1 THR A 24 -8.929 -6.004 5.065 1.00 2.43 H new ATOM 0 HG21 THR A 24 -10.318 -5.701 3.101 1.00 1.98 H new ATOM 0 HG22 THR A 24 -11.058 -7.160 2.402 1.00 1.98 H new ATOM 0 HG23 THR A 24 -11.614 -6.548 3.978 1.00 1.98 H new ATOM 351 N ASP A 25 -9.535 -11.181 3.900 1.00 1.06 N ATOM 352 CA ASP A 25 -8.576 -12.278 3.843 1.00 1.14 C ATOM 353 C ASP A 25 -7.435 -11.897 2.901 1.00 0.91 C ATOM 354 O ASP A 25 -7.658 -11.457 1.760 1.00 1.11 O ATOM 355 CB ASP A 25 -9.236 -13.622 3.447 1.00 1.52 C ATOM 356 CG ASP A 25 -9.571 -13.767 1.978 1.00 1.99 C ATOM 357 OD1 ASP A 25 -10.435 -13.030 1.466 1.00 2.49 O ATOM 358 OD2 ASP A 25 -8.958 -14.638 1.305 1.00 2.41 O ATOM 0 H ASP A 25 -10.474 -11.419 3.579 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.172 -12.439 4.842 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -8.568 -14.435 3.733 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -10.152 -13.743 4.026 1.00 1.52 H new ATOM 363 N LEU A 26 -6.225 -12.007 3.395 1.00 0.84 N ATOM 364 CA LEU A 26 -5.093 -11.481 2.673 1.00 0.77 C ATOM 365 C LEU A 26 -3.893 -12.441 2.754 1.00 0.86 C ATOM 366 O LEU A 26 -2.788 -12.130 2.286 1.00 1.05 O ATOM 367 CB LEU A 26 -4.737 -10.117 3.298 1.00 0.94 C ATOM 368 CG LEU A 26 -4.058 -9.100 2.395 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.017 -8.659 1.298 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.593 -7.906 3.201 1.00 1.11 C ATOM 0 H LEU A 26 -6.001 -12.452 4.285 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.341 -11.366 1.618 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -5.654 -9.670 3.681 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.087 -10.296 4.155 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.186 -9.564 1.935 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.524 -7.930 0.655 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.314 -9.524 0.705 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.901 -8.207 1.748 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.109 -7.187 2.540 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.450 -7.436 3.683 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -2.884 -8.234 3.961 1.00 1.11 H new ATOM 382 N SER A 27 -4.103 -13.593 3.347 1.00 0.96 N ATOM 383 CA SER A 27 -3.049 -14.575 3.477 1.00 1.13 C ATOM 384 C SER A 27 -2.920 -15.345 2.167 1.00 1.20 C ATOM 385 O SER A 27 -3.929 -15.689 1.537 1.00 1.66 O ATOM 386 CB SER A 27 -3.359 -15.516 4.638 1.00 1.36 C ATOM 387 OG SER A 27 -3.643 -14.768 5.814 1.00 1.89 O ATOM 0 H SER A 27 -4.997 -13.875 3.749 1.00 0.96 H new ATOM 0 HA SER A 27 -2.101 -14.080 3.688 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.210 -16.148 4.386 1.00 1.36 H new ATOM 0 HB3 SER A 27 -2.512 -16.178 4.815 1.00 1.36 H new ATOM 0 HG SER A 27 -3.842 -15.382 6.552 1.00 1.89 H new ATOM 393 N GLY A 28 -1.702 -15.601 1.759 1.00 1.48 N ATOM 394 CA GLY A 28 -1.470 -16.254 0.513 1.00 1.67 C ATOM 395 C GLY A 28 -1.132 -15.255 -0.562 1.00 1.54 C ATOM 396 O GLY A 28 -0.215 -14.435 -0.393 1.00 2.30 O ATOM 0 H GLY A 28 -0.858 -15.363 2.280 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -0.655 -16.970 0.619 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -2.356 -16.820 0.224 1.00 1.67 H new ATOM 400 N ASP A 29 -1.905 -15.259 -1.611 1.00 1.09 N ATOM 401 CA ASP A 29 -1.660 -14.408 -2.765 1.00 1.07 C ATOM 402 C ASP A 29 -2.710 -13.326 -2.859 1.00 0.87 C ATOM 403 O ASP A 29 -3.899 -13.610 -2.963 1.00 1.13 O ATOM 404 CB ASP A 29 -1.629 -15.237 -4.053 1.00 1.48 C ATOM 405 CG ASP A 29 -1.524 -14.388 -5.301 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.412 -13.963 -5.655 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.549 -14.109 -5.943 1.00 2.97 O ATOM 0 H ASP A 29 -2.730 -15.852 -1.700 1.00 1.09 H new ATOM 0 HA ASP A 29 -0.686 -13.935 -2.638 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -0.784 -15.924 -4.016 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.532 -15.845 -4.109 1.00 1.48 H new ATOM 412 N PHE A 30 -2.269 -12.090 -2.803 1.00 0.67 N ATOM 413 CA PHE A 30 -3.179 -10.953 -2.840 1.00 0.57 C ATOM 414 C PHE A 30 -2.597 -9.831 -3.686 1.00 0.49 C ATOM 415 O PHE A 30 -3.053 -8.699 -3.627 1.00 0.48 O ATOM 416 CB PHE A 30 -3.417 -10.436 -1.403 1.00 0.59 C ATOM 417 CG PHE A 30 -2.188 -9.855 -0.714 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.250 -10.675 -0.116 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.986 -8.480 -0.669 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.142 -10.143 0.509 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.882 -7.946 -0.043 1.00 0.65 C ATOM 422 CZ PHE A 30 0.044 -8.777 0.544 1.00 0.73 C ATOM 0 H PHE A 30 -1.283 -11.839 -2.731 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.122 -11.275 -3.281 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.194 -9.672 -1.432 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.800 -11.257 -0.797 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.387 -11.746 -0.138 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.706 -7.821 -1.132 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.582 -10.797 0.972 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.743 -6.875 -0.013 1.00 0.65 H new ATOM 0 HZ PHE A 30 0.914 -8.361 1.031 1.00 0.73 H new ATOM 432 N LEU A 31 -1.629 -10.147 -4.508 1.00 0.54 N ATOM 433 CA LEU A 31 -0.907 -9.126 -5.225 1.00 0.60 C ATOM 434 C LEU A 31 -1.726 -8.455 -6.314 1.00 0.63 C ATOM 435 O LEU A 31 -1.494 -7.286 -6.625 1.00 0.72 O ATOM 436 CB LEU A 31 0.418 -9.643 -5.779 1.00 0.75 C ATOM 437 CG LEU A 31 1.525 -9.967 -4.768 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.771 -8.786 -3.840 1.00 0.75 C ATOM 439 CD2 LEU A 31 1.233 -11.253 -3.993 1.00 1.43 C ATOM 0 H LEU A 31 -1.323 -11.101 -4.698 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.688 -8.357 -4.484 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.213 -10.545 -6.356 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.805 -8.900 -6.476 1.00 0.75 H new ATOM 0 HG LEU A 31 2.443 -10.146 -5.327 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.560 -9.038 -3.131 1.00 0.75 H new ATOM 0 HD12 LEU A 31 2.074 -7.919 -4.427 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.855 -8.554 -3.296 1.00 0.75 H new ATOM 0 HD21 LEU A 31 2.042 -11.445 -3.288 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.295 -11.144 -3.448 1.00 1.43 H new ATOM 0 HD23 LEU A 31 1.153 -12.087 -4.690 1.00 1.43 H new ATOM 451 N ASP A 32 -2.684 -9.163 -6.868 1.00 0.66 N ATOM 452 CA ASP A 32 -3.521 -8.592 -7.915 1.00 0.83 C ATOM 453 C ASP A 32 -4.922 -8.369 -7.378 1.00 0.73 C ATOM 454 O ASP A 32 -5.849 -8.068 -8.124 1.00 0.96 O ATOM 455 CB ASP A 32 -3.557 -9.466 -9.188 1.00 1.10 C ATOM 456 CG ASP A 32 -4.377 -10.738 -9.072 1.00 1.70 C ATOM 457 OD1 ASP A 32 -3.838 -11.767 -8.602 1.00 2.33 O ATOM 458 OD2 ASP A 32 -5.549 -10.759 -9.509 1.00 2.26 O ATOM 0 H ASP A 32 -2.907 -10.127 -6.619 1.00 0.66 H new ATOM 0 HA ASP A 32 -3.083 -7.638 -8.207 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -3.955 -8.869 -10.009 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.535 -9.734 -9.455 1.00 1.10 H new ATOM 463 N LEU A 33 -5.044 -8.492 -6.071 1.00 0.50 N ATOM 464 CA LEU A 33 -6.292 -8.280 -5.379 1.00 0.50 C ATOM 465 C LEU A 33 -6.527 -6.775 -5.297 1.00 0.50 C ATOM 466 O LEU A 33 -5.880 -6.067 -4.530 1.00 0.78 O ATOM 467 CB LEU A 33 -6.222 -8.927 -3.988 1.00 0.49 C ATOM 468 CG LEU A 33 -7.491 -8.923 -3.156 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.613 -9.646 -3.888 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.227 -9.581 -1.812 1.00 0.70 C ATOM 0 H LEU A 33 -4.270 -8.745 -5.457 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.126 -8.741 -5.908 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.903 -9.962 -4.113 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.443 -8.420 -3.418 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.800 -7.891 -2.992 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.515 -9.633 -3.276 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.811 -9.146 -4.836 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.318 -10.678 -4.077 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.141 -9.576 -1.218 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -6.902 -10.610 -1.968 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.448 -9.030 -1.284 1.00 0.70 H new ATOM 482 N ARG A 34 -7.432 -6.313 -6.105 1.00 0.34 N ATOM 483 CA ARG A 34 -7.636 -4.895 -6.348 1.00 0.37 C ATOM 484 C ARG A 34 -8.189 -4.168 -5.128 1.00 0.35 C ATOM 485 O ARG A 34 -9.112 -4.655 -4.467 1.00 0.40 O ATOM 486 CB ARG A 34 -8.545 -4.711 -7.559 1.00 0.45 C ATOM 487 CG ARG A 34 -8.042 -5.435 -8.812 1.00 0.60 C ATOM 488 CD ARG A 34 -8.969 -5.222 -9.985 1.00 1.01 C ATOM 489 NE ARG A 34 -8.996 -3.825 -10.360 1.00 1.74 N ATOM 490 CZ ARG A 34 -10.072 -3.107 -10.627 1.00 2.51 C ATOM 491 NH1 ARG A 34 -11.251 -3.692 -10.830 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.954 -1.805 -10.715 1.00 3.50 N ATOM 0 H ARG A 34 -8.068 -6.913 -6.630 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.664 -4.446 -6.554 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.543 -5.075 -7.314 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.638 -3.647 -7.776 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.045 -5.075 -9.065 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.953 -6.502 -8.606 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.640 -5.826 -10.831 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.974 -5.555 -9.727 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.097 -3.348 -10.424 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.332 -4.708 -10.780 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -12.073 -3.124 -11.035 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -9.044 -1.365 -10.578 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.772 -1.231 -10.920 1.00 3.50 H new ATOM 506 N PHE A 35 -7.646 -2.983 -4.863 1.00 0.36 N ATOM 507 CA PHE A 35 -8.025 -2.178 -3.696 1.00 0.39 C ATOM 508 C PHE A 35 -9.513 -1.847 -3.667 1.00 0.47 C ATOM 509 O PHE A 35 -10.156 -1.972 -2.625 1.00 0.54 O ATOM 510 CB PHE A 35 -7.201 -0.892 -3.604 1.00 0.41 C ATOM 511 CG PHE A 35 -5.743 -1.115 -3.349 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.294 -1.476 -2.094 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.821 -0.985 -4.373 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.952 -1.696 -1.863 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.478 -1.206 -4.143 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.037 -1.498 -2.868 1.00 0.47 C ATOM 0 H PHE A 35 -6.931 -2.550 -5.448 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.807 -2.797 -2.825 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.315 -0.334 -4.533 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.607 -0.270 -2.806 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.001 -1.587 -1.285 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.156 -0.708 -5.362 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.620 -2.025 -0.889 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.773 -1.151 -4.959 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.979 -1.570 -2.662 1.00 0.47 H new ATOM 526 N GLU A 36 -10.070 -1.482 -4.816 1.00 0.57 N ATOM 527 CA GLU A 36 -11.488 -1.125 -4.889 1.00 0.76 C ATOM 528 C GLU A 36 -12.387 -2.332 -4.598 1.00 0.74 C ATOM 529 O GLU A 36 -13.548 -2.178 -4.245 1.00 0.87 O ATOM 530 CB GLU A 36 -11.868 -0.543 -6.254 1.00 0.97 C ATOM 531 CG GLU A 36 -11.641 -1.491 -7.420 1.00 1.31 C ATOM 532 CD GLU A 36 -12.496 -1.137 -8.602 1.00 1.56 C ATOM 533 OE1 GLU A 36 -13.689 -1.502 -8.594 1.00 2.06 O ATOM 534 OE2 GLU A 36 -12.020 -0.506 -9.546 1.00 1.81 O ATOM 0 H GLU A 36 -9.570 -1.425 -5.703 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.645 -0.362 -4.126 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -12.919 -0.255 -6.234 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.291 0.367 -6.422 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.591 -1.465 -7.710 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.860 -2.512 -7.106 1.00 1.31 H new ATOM 541 N ASP A 37 -11.856 -3.520 -4.767 1.00 0.66 N ATOM 542 CA ASP A 37 -12.626 -4.730 -4.556 1.00 0.73 C ATOM 543 C ASP A 37 -12.631 -5.091 -3.083 1.00 0.73 C ATOM 544 O ASP A 37 -13.647 -5.518 -2.530 1.00 0.89 O ATOM 545 CB ASP A 37 -12.064 -5.882 -5.396 1.00 0.75 C ATOM 546 CG ASP A 37 -12.871 -7.150 -5.253 1.00 1.29 C ATOM 547 OD1 ASP A 37 -13.853 -7.341 -5.994 1.00 1.28 O ATOM 548 OD2 ASP A 37 -12.534 -7.983 -4.392 1.00 2.20 O ATOM 0 H ASP A 37 -10.889 -3.678 -5.051 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.653 -4.552 -4.875 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -12.042 -5.586 -6.445 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.034 -6.076 -5.098 1.00 0.75 H new ATOM 553 N ILE A 38 -11.509 -4.841 -2.434 1.00 0.63 N ATOM 554 CA ILE A 38 -11.340 -5.173 -1.025 1.00 0.68 C ATOM 555 C ILE A 38 -11.764 -4.046 -0.077 1.00 0.68 C ATOM 556 O ILE A 38 -11.405 -4.043 1.098 1.00 0.73 O ATOM 557 CB ILE A 38 -9.901 -5.661 -0.697 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.849 -4.616 -1.118 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.650 -6.976 -1.396 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.410 -5.008 -0.817 1.00 0.64 C ATOM 0 H ILE A 38 -10.692 -4.405 -2.862 1.00 0.63 H new ATOM 0 HA ILE A 38 -12.023 -6.004 -0.849 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.813 -5.799 0.381 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.946 -4.434 -2.188 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -9.069 -3.675 -0.613 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.642 -7.322 -1.169 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.374 -7.715 -1.052 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.753 -6.841 -2.473 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.740 -4.214 -1.147 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -7.291 -5.161 0.256 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -7.166 -5.931 -1.344 1.00 0.64 H new ATOM 572 N GLY A 39 -12.580 -3.135 -0.581 1.00 0.69 N ATOM 573 CA GLY A 39 -13.138 -2.076 0.248 1.00 0.77 C ATOM 574 C GLY A 39 -12.152 -0.986 0.623 1.00 0.65 C ATOM 575 O GLY A 39 -12.346 -0.287 1.625 1.00 0.74 O ATOM 0 H GLY A 39 -12.871 -3.106 -1.558 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.978 -1.623 -0.279 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.536 -2.518 1.161 1.00 0.77 H new ATOM 579 N TYR A 40 -11.105 -0.833 -0.151 1.00 0.52 N ATOM 580 CA TYR A 40 -10.134 0.199 0.111 1.00 0.47 C ATOM 581 C TYR A 40 -10.352 1.389 -0.772 1.00 0.49 C ATOM 582 O TYR A 40 -10.203 1.314 -1.993 1.00 0.61 O ATOM 583 CB TYR A 40 -8.693 -0.300 -0.034 1.00 0.46 C ATOM 584 CG TYR A 40 -8.166 -1.086 1.144 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.688 -2.321 1.495 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.139 -0.567 1.919 1.00 0.61 C ATOM 587 CE1 TYR A 40 -8.198 -3.022 2.574 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.641 -1.255 2.996 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.177 -2.489 3.323 1.00 0.81 C ATOM 590 OH TYR A 40 -6.687 -3.193 4.397 1.00 1.02 O ATOM 0 H TYR A 40 -10.904 -1.411 -0.967 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.280 0.496 1.150 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.629 -0.924 -0.925 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.042 0.559 -0.199 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.494 -2.741 0.911 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.723 0.398 1.669 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.614 -3.985 2.830 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.837 -0.838 3.584 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.946 -2.697 4.803 1.00 1.02 H new ATOM 600 N ASP A 41 -10.726 2.474 -0.148 1.00 0.48 N ATOM 601 CA ASP A 41 -10.885 3.746 -0.820 1.00 0.56 C ATOM 602 C ASP A 41 -9.526 4.371 -1.027 1.00 0.45 C ATOM 603 O ASP A 41 -8.506 3.847 -0.542 1.00 0.39 O ATOM 604 CB ASP A 41 -11.736 4.711 0.027 1.00 0.75 C ATOM 605 CG ASP A 41 -13.182 4.301 0.167 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.498 3.538 1.081 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.027 4.763 -0.634 1.00 1.20 O ATOM 0 H ASP A 41 -10.932 2.505 0.851 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.382 3.570 -1.774 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.295 4.790 1.021 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.693 5.704 -0.421 1.00 0.75 H new ATOM 612 N SER A 42 -9.506 5.502 -1.696 1.00 0.57 N ATOM 613 CA SER A 42 -8.298 6.268 -1.912 1.00 0.62 C ATOM 614 C SER A 42 -7.686 6.619 -0.558 1.00 0.53 C ATOM 615 O SER A 42 -6.538 6.323 -0.286 1.00 0.54 O ATOM 616 CB SER A 42 -8.678 7.517 -2.668 1.00 0.83 C ATOM 617 OG SER A 42 -9.826 8.131 -1.995 1.00 1.24 O ATOM 0 H SER A 42 -10.338 5.921 -2.111 1.00 0.57 H new ATOM 0 HA SER A 42 -7.563 5.702 -2.485 1.00 0.62 H new ATOM 0 HB2 SER A 42 -7.839 8.212 -2.698 1.00 0.83 H new ATOM 0 HB3 SER A 42 -8.928 7.274 -3.701 1.00 0.83 H new ATOM 622 N LEU A 43 -8.502 7.262 0.261 1.00 0.53 N ATOM 623 CA LEU A 43 -8.242 7.569 1.662 1.00 0.54 C ATOM 624 C LEU A 43 -7.675 6.393 2.461 1.00 0.45 C ATOM 625 O LEU A 43 -6.894 6.597 3.384 1.00 0.47 O ATOM 626 CB LEU A 43 -9.511 8.100 2.335 1.00 0.68 C ATOM 627 CG LEU A 43 -9.911 9.516 1.933 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.231 9.910 2.585 1.00 1.00 C ATOM 629 CD2 LEU A 43 -8.808 10.485 2.335 1.00 0.90 C ATOM 0 H LEU A 43 -9.412 7.603 -0.048 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.469 8.337 1.662 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.336 7.426 2.103 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.370 8.072 3.415 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.048 9.554 0.852 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.497 10.923 2.285 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.013 9.220 2.268 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.128 9.868 3.669 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.091 11.498 2.049 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.660 10.441 3.414 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -7.881 10.211 1.830 1.00 0.90 H new ATOM 641 N ALA A 44 -8.040 5.180 2.109 1.00 0.44 N ATOM 642 CA ALA A 44 -7.524 4.024 2.807 1.00 0.41 C ATOM 643 C ALA A 44 -6.098 3.755 2.354 1.00 0.35 C ATOM 644 O ALA A 44 -5.188 3.688 3.164 1.00 0.38 O ATOM 645 CB ALA A 44 -8.413 2.810 2.596 1.00 0.43 C ATOM 0 H ALA A 44 -8.687 4.969 1.349 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.519 4.229 3.878 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.998 1.957 3.133 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.414 3.023 2.971 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.465 2.578 1.532 1.00 0.43 H new ATOM 651 N LEU A 45 -5.907 3.681 1.050 1.00 0.34 N ATOM 652 CA LEU A 45 -4.598 3.432 0.460 1.00 0.33 C ATOM 653 C LEU A 45 -3.619 4.583 0.736 1.00 0.32 C ATOM 654 O LEU A 45 -2.439 4.364 1.003 1.00 0.36 O ATOM 655 CB LEU A 45 -4.768 3.225 -1.030 1.00 0.48 C ATOM 656 CG LEU A 45 -3.498 2.995 -1.866 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.442 2.186 -1.121 1.00 0.90 C ATOM 658 CD2 LEU A 45 -3.900 2.190 -2.999 1.00 0.37 C ATOM 0 H LEU A 45 -6.655 3.792 0.365 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.172 2.538 0.916 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.427 2.369 -1.177 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.283 4.097 -1.434 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.073 3.965 -2.124 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.568 2.054 -1.759 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.152 2.715 -0.213 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.850 1.210 -0.858 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.034 1.994 -3.632 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.313 1.245 -2.646 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -4.656 2.724 -3.575 1.00 0.37 H new ATOM 670 N MET A 46 -4.103 5.795 0.694 1.00 0.37 N ATOM 671 CA MET A 46 -3.256 6.953 0.933 1.00 0.46 C ATOM 672 C MET A 46 -2.791 6.978 2.394 1.00 0.48 C ATOM 673 O MET A 46 -1.734 7.514 2.708 1.00 0.54 O ATOM 674 CB MET A 46 -3.965 8.267 0.477 1.00 0.59 C ATOM 675 CG MET A 46 -5.167 8.719 1.265 1.00 0.54 C ATOM 676 SD MET A 46 -4.796 9.429 2.895 1.00 0.89 S ATOM 677 CE MET A 46 -3.728 10.795 2.437 1.00 1.84 C ATOM 0 H MET A 46 -5.079 6.016 0.497 1.00 0.37 H new ATOM 0 HA MET A 46 -2.356 6.877 0.323 1.00 0.46 H new ATOM 0 HB2 MET A 46 -3.229 9.070 0.496 1.00 0.59 H new ATOM 0 HB3 MET A 46 -4.272 8.141 -0.561 1.00 0.59 H new ATOM 0 HG2 MET A 46 -5.709 9.460 0.678 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.835 7.868 1.400 1.00 0.54 H new ATOM 0 HE1 MET A 46 -3.758 11.557 3.216 1.00 1.84 H new ATOM 0 HE2 MET A 46 -2.706 10.435 2.321 1.00 1.84 H new ATOM 0 HE3 MET A 46 -4.070 11.225 1.496 1.00 1.84 H new ATOM 687 N GLU A 47 -3.568 6.333 3.268 1.00 0.49 N ATOM 688 CA GLU A 47 -3.216 6.208 4.670 1.00 0.55 C ATOM 689 C GLU A 47 -2.104 5.158 4.760 1.00 0.54 C ATOM 690 O GLU A 47 -1.077 5.392 5.386 1.00 0.71 O ATOM 691 CB GLU A 47 -4.470 5.804 5.474 1.00 0.58 C ATOM 692 CG GLU A 47 -4.421 6.012 6.990 1.00 0.82 C ATOM 693 CD GLU A 47 -3.484 5.075 7.746 1.00 1.48 C ATOM 694 OE1 GLU A 47 -3.869 3.933 8.044 1.00 1.84 O ATOM 695 OE2 GLU A 47 -2.372 5.489 8.115 1.00 2.31 O ATOM 0 H GLU A 47 -4.451 5.888 3.018 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.857 7.147 5.092 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.319 6.365 5.082 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.670 4.750 5.283 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.119 7.040 7.190 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.428 5.892 7.389 1.00 0.82 H new ATOM 702 N THR A 48 -2.319 4.035 4.063 1.00 0.42 N ATOM 703 CA THR A 48 -1.354 2.939 3.916 1.00 0.42 C ATOM 704 C THR A 48 0.009 3.500 3.471 1.00 0.39 C ATOM 705 O THR A 48 1.045 3.253 4.108 1.00 0.41 O ATOM 706 CB THR A 48 -1.909 1.993 2.819 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.190 1.514 3.214 1.00 0.44 O ATOM 708 CG2 THR A 48 -0.993 0.815 2.524 1.00 0.45 C ATOM 0 H THR A 48 -3.195 3.859 3.571 1.00 0.42 H new ATOM 0 HA THR A 48 -1.217 2.411 4.860 1.00 0.42 H new ATOM 0 HB THR A 48 -1.979 2.575 1.900 1.00 0.41 H new ATOM 0 HG1 THR A 48 -3.265 1.548 4.191 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.439 0.193 1.748 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.026 1.183 2.182 1.00 0.45 H new ATOM 0 HG23 THR A 48 -0.857 0.224 3.430 1.00 0.45 H new ATOM 716 N ALA A 49 -0.020 4.262 2.397 1.00 0.39 N ATOM 717 CA ALA A 49 1.162 4.881 1.830 1.00 0.40 C ATOM 718 C ALA A 49 1.834 5.813 2.838 1.00 0.42 C ATOM 719 O ALA A 49 3.008 5.634 3.151 1.00 0.41 O ATOM 720 CB ALA A 49 0.812 5.632 0.550 1.00 0.43 C ATOM 0 H ALA A 49 -0.877 4.472 1.886 1.00 0.39 H new ATOM 0 HA ALA A 49 1.871 4.090 1.583 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.712 6.090 0.139 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.394 4.936 -0.178 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.079 6.408 0.772 1.00 0.43 H new ATOM 726 N ALA A 50 1.069 6.772 3.385 1.00 0.46 N ATOM 727 CA ALA A 50 1.593 7.749 4.361 1.00 0.51 C ATOM 728 C ALA A 50 2.160 7.065 5.609 1.00 0.49 C ATOM 729 O ALA A 50 3.107 7.565 6.251 1.00 0.49 O ATOM 730 CB ALA A 50 0.514 8.749 4.745 1.00 0.62 C ATOM 0 H ALA A 50 0.080 6.894 3.168 1.00 0.46 H new ATOM 0 HA ALA A 50 2.414 8.281 3.880 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.918 9.461 5.465 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.179 9.282 3.855 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.329 8.221 5.191 1.00 0.62 H new ATOM 736 N ARG A 51 1.581 5.931 5.947 1.00 0.51 N ATOM 737 CA ARG A 51 2.027 5.124 7.064 1.00 0.54 C ATOM 738 C ARG A 51 3.436 4.622 6.767 1.00 0.50 C ATOM 739 O ARG A 51 4.356 4.791 7.565 1.00 0.61 O ATOM 740 CB ARG A 51 1.071 3.925 7.263 1.00 0.62 C ATOM 741 CG ARG A 51 1.421 2.941 8.383 1.00 0.87 C ATOM 742 CD ARG A 51 0.819 3.322 9.733 1.00 1.36 C ATOM 743 NE ARG A 51 -0.641 3.468 9.658 1.00 2.18 N ATOM 744 CZ ARG A 51 -1.495 3.061 10.597 1.00 3.05 C ATOM 745 NH1 ARG A 51 -1.054 2.582 11.749 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.790 3.144 10.386 1.00 3.91 N ATOM 0 H ARG A 51 0.781 5.540 5.450 1.00 0.51 H new ATOM 0 HA ARG A 51 2.029 5.720 7.976 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.072 4.316 7.454 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.023 3.370 6.326 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.072 1.946 8.105 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.505 2.883 8.480 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.071 2.560 10.471 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.261 4.257 10.077 1.00 1.36 H new ATOM 0 HE ARG A 51 -1.029 3.913 8.827 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.051 2.521 11.926 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -1.717 2.274 12.460 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -3.140 3.519 9.505 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -3.445 2.833 11.104 1.00 3.91 H new ATOM 760 N LEU A 52 3.597 4.044 5.591 1.00 0.41 N ATOM 761 CA LEU A 52 4.873 3.508 5.150 1.00 0.39 C ATOM 762 C LEU A 52 5.903 4.624 4.982 1.00 0.36 C ATOM 763 O LEU A 52 7.092 4.430 5.273 1.00 0.38 O ATOM 764 CB LEU A 52 4.693 2.712 3.856 1.00 0.36 C ATOM 765 CG LEU A 52 3.797 1.477 3.973 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.592 0.822 2.623 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.393 0.482 4.959 1.00 0.48 C ATOM 0 H LEU A 52 2.844 3.932 4.912 1.00 0.41 H new ATOM 0 HA LEU A 52 5.251 2.829 5.915 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.277 3.373 3.096 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.675 2.397 3.502 1.00 0.36 H new ATOM 0 HG LEU A 52 2.824 1.800 4.343 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.952 -0.053 2.736 1.00 0.41 H new ATOM 0 HD12 LEU A 52 3.121 1.531 1.942 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.556 0.516 2.217 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.745 -0.391 5.032 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.380 0.174 4.613 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.482 0.950 5.939 1.00 0.48 H new ATOM 779 N GLU A 53 5.437 5.796 4.550 1.00 0.35 N ATOM 780 CA GLU A 53 6.289 6.973 4.406 1.00 0.37 C ATOM 781 C GLU A 53 6.942 7.324 5.719 1.00 0.41 C ATOM 782 O GLU A 53 8.155 7.522 5.786 1.00 0.45 O ATOM 783 CB GLU A 53 5.502 8.191 3.941 1.00 0.40 C ATOM 784 CG GLU A 53 4.881 8.083 2.578 1.00 0.44 C ATOM 785 CD GLU A 53 4.254 9.381 2.163 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.171 9.695 2.652 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.844 10.114 1.338 1.00 0.65 O ATOM 0 H GLU A 53 4.463 5.954 4.292 1.00 0.35 H new ATOM 0 HA GLU A 53 7.040 6.718 3.658 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.712 8.389 4.665 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.166 9.055 3.950 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.640 7.794 1.851 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.127 7.296 2.580 1.00 0.44 H new ATOM 794 N SER A 54 6.149 7.367 6.755 1.00 0.45 N ATOM 795 CA SER A 54 6.618 7.773 8.059 1.00 0.54 C ATOM 796 C SER A 54 7.369 6.634 8.780 1.00 0.52 C ATOM 797 O SER A 54 8.275 6.881 9.572 1.00 0.62 O ATOM 798 CB SER A 54 5.414 8.248 8.862 1.00 0.69 C ATOM 799 OG SER A 54 4.659 9.175 8.073 1.00 1.38 O ATOM 0 H SER A 54 5.159 7.122 6.723 1.00 0.45 H new ATOM 0 HA SER A 54 7.339 8.584 7.954 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.791 7.399 9.143 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.742 8.722 9.787 1.00 0.69 H new ATOM 0 HG SER A 54 4.108 8.683 7.428 1.00 1.38 H new ATOM 805 N ARG A 55 7.000 5.406 8.481 1.00 0.53 N ATOM 806 CA ARG A 55 7.606 4.233 9.097 1.00 0.62 C ATOM 807 C ARG A 55 9.010 3.946 8.523 1.00 0.57 C ATOM 808 O ARG A 55 9.925 3.605 9.258 1.00 0.68 O ATOM 809 CB ARG A 55 6.671 3.025 8.914 1.00 0.78 C ATOM 810 CG ARG A 55 7.159 1.703 9.485 1.00 0.95 C ATOM 811 CD ARG A 55 6.113 0.626 9.250 1.00 1.19 C ATOM 812 NE ARG A 55 6.585 -0.718 9.604 1.00 1.42 N ATOM 813 CZ ARG A 55 6.410 -1.802 8.838 1.00 1.79 C ATOM 814 NH1 ARG A 55 5.704 -1.720 7.718 1.00 1.97 N ATOM 815 NH2 ARG A 55 6.914 -2.964 9.202 1.00 2.41 N ATOM 0 H ARG A 55 6.270 5.187 7.803 1.00 0.53 H new ATOM 0 HA ARG A 55 7.739 4.426 10.161 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.711 3.263 9.373 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.490 2.891 7.848 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.100 1.418 9.015 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.354 1.807 10.552 1.00 0.95 H new ATOM 0 HD2 ARG A 55 5.223 0.858 9.834 1.00 1.19 H new ATOM 0 HD3 ARG A 55 5.817 0.637 8.201 1.00 1.19 H new ATOM 0 HE ARG A 55 7.078 -0.833 10.490 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.293 -0.829 7.438 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.572 -2.548 7.136 1.00 1.97 H new ATOM 0 HH21 ARG A 55 7.441 -3.041 10.072 1.00 2.41 H new ATOM 0 HH22 ARG A 55 6.777 -3.786 8.614 1.00 2.41 H new ATOM 829 N TYR A 56 9.173 4.096 7.219 1.00 0.49 N ATOM 830 CA TYR A 56 10.459 3.801 6.580 1.00 0.54 C ATOM 831 C TYR A 56 11.281 5.043 6.264 1.00 0.53 C ATOM 832 O TYR A 56 12.516 5.018 6.358 1.00 0.71 O ATOM 833 CB TYR A 56 10.273 2.931 5.331 1.00 0.57 C ATOM 834 CG TYR A 56 9.861 1.519 5.653 1.00 0.68 C ATOM 835 CD1 TYR A 56 8.519 1.194 5.791 1.00 0.66 C ATOM 836 CD2 TYR A 56 10.800 0.504 5.796 1.00 0.94 C ATOM 837 CE1 TYR A 56 8.123 -0.096 6.065 1.00 0.82 C ATOM 838 CE2 TYR A 56 10.411 -0.788 6.062 1.00 1.09 C ATOM 839 CZ TYR A 56 9.132 -1.080 6.296 1.00 1.02 C ATOM 840 OH TYR A 56 8.673 -2.385 6.450 1.00 1.20 O ATOM 0 H TYR A 56 8.444 4.416 6.582 1.00 0.49 H new ATOM 0 HA TYR A 56 11.034 3.237 7.315 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.520 3.385 4.687 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.205 2.912 4.766 1.00 0.57 H new ATOM 0 HD1 TYR A 56 7.772 1.966 5.682 1.00 0.66 H new ATOM 0 HD2 TYR A 56 11.851 0.733 5.697 1.00 0.94 H new ATOM 0 HE1 TYR A 56 7.076 -0.357 6.104 1.00 0.82 H new ATOM 0 HE2 TYR A 56 11.150 -1.575 6.081 1.00 1.09 H new ATOM 0 HH TYR A 56 7.718 -2.424 6.232 1.00 1.20 H new ATOM 850 N GLY A 57 10.620 6.121 5.925 1.00 0.44 N ATOM 851 CA GLY A 57 11.326 7.329 5.558 1.00 0.45 C ATOM 852 C GLY A 57 11.298 7.554 4.066 1.00 0.45 C ATOM 853 O GLY A 57 12.329 7.843 3.451 1.00 0.60 O ATOM 0 H GLY A 57 9.603 6.190 5.894 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.876 8.183 6.064 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.360 7.265 5.898 1.00 0.45 H new ATOM 857 N VAL A 58 10.120 7.412 3.483 1.00 0.37 N ATOM 858 CA VAL A 58 9.941 7.567 2.044 1.00 0.39 C ATOM 859 C VAL A 58 8.909 8.655 1.751 1.00 0.40 C ATOM 860 O VAL A 58 8.356 9.231 2.688 1.00 0.42 O ATOM 861 CB VAL A 58 9.531 6.233 1.341 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.592 5.181 1.542 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.207 5.709 1.865 1.00 0.38 C ATOM 0 H VAL A 58 9.263 7.187 3.988 1.00 0.37 H new ATOM 0 HA VAL A 58 10.908 7.861 1.635 1.00 0.39 H new ATOM 0 HB VAL A 58 9.424 6.450 0.278 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.289 4.259 1.046 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.534 5.529 1.118 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.721 4.993 2.608 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.955 4.780 1.353 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.288 5.522 2.936 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.426 6.447 1.683 1.00 0.38 H new ATOM 873 N SER A 59 8.626 8.905 0.477 1.00 0.46 N ATOM 874 CA SER A 59 7.659 9.926 0.090 1.00 0.56 C ATOM 875 C SER A 59 6.906 9.505 -1.186 1.00 0.54 C ATOM 876 O SER A 59 7.510 9.382 -2.268 1.00 0.61 O ATOM 877 CB SER A 59 8.363 11.279 -0.133 1.00 0.79 C ATOM 878 OG SER A 59 9.089 11.691 1.029 1.00 1.33 O ATOM 0 H SER A 59 9.054 8.413 -0.307 1.00 0.46 H new ATOM 0 HA SER A 59 6.937 10.035 0.900 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.045 11.200 -0.980 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.623 12.037 -0.389 1.00 0.79 H new ATOM 0 HG SER A 59 9.926 11.185 1.088 1.00 1.33 H new ATOM 884 N ILE A 60 5.618 9.240 -1.043 1.00 0.48 N ATOM 885 CA ILE A 60 4.735 8.859 -2.136 1.00 0.46 C ATOM 886 C ILE A 60 3.518 9.794 -2.126 1.00 0.50 C ATOM 887 O ILE A 60 2.730 9.772 -1.178 1.00 0.58 O ATOM 888 CB ILE A 60 4.220 7.359 -2.046 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.339 6.309 -2.220 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.111 7.088 -3.061 1.00 0.43 C ATOM 891 CD1 ILE A 60 6.304 6.172 -1.073 1.00 1.13 C ATOM 0 H ILE A 60 5.144 9.285 -0.141 1.00 0.48 H new ATOM 0 HA ILE A 60 5.313 8.942 -3.057 1.00 0.46 H new ATOM 0 HB ILE A 60 3.828 7.253 -1.034 1.00 0.44 H new ATOM 0 HG12 ILE A 60 4.874 5.339 -2.395 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.906 6.557 -3.117 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.782 6.053 -2.972 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.270 7.754 -2.868 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.489 7.264 -4.068 1.00 0.43 H new ATOM 0 HD11 ILE A 60 7.043 5.407 -1.309 1.00 1.13 H new ATOM 0 HD12 ILE A 60 6.808 7.124 -0.906 1.00 1.13 H new ATOM 0 HD13 ILE A 60 5.761 5.886 -0.172 1.00 1.13 H new ATOM 903 N PRO A 61 3.366 10.646 -3.155 1.00 0.52 N ATOM 904 CA PRO A 61 2.225 11.574 -3.265 1.00 0.58 C ATOM 905 C PRO A 61 0.869 10.852 -3.367 1.00 0.52 C ATOM 906 O PRO A 61 0.788 9.708 -3.847 1.00 0.45 O ATOM 907 CB PRO A 61 2.512 12.355 -4.555 1.00 0.63 C ATOM 908 CG PRO A 61 3.973 12.179 -4.781 1.00 0.65 C ATOM 909 CD PRO A 61 4.299 10.804 -4.277 1.00 0.56 C ATOM 0 HA PRO A 61 2.140 12.202 -2.378 1.00 0.58 H new ATOM 0 HB2 PRO A 61 1.931 11.966 -5.392 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.251 13.408 -4.448 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.220 12.277 -5.838 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.546 12.938 -4.248 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.145 10.044 -5.043 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.337 10.726 -3.955 1.00 0.56 H new ATOM 917 N ASP A 62 -0.187 11.547 -2.960 1.00 0.64 N ATOM 918 CA ASP A 62 -1.563 11.012 -2.912 1.00 0.72 C ATOM 919 C ASP A 62 -2.070 10.565 -4.281 1.00 0.61 C ATOM 920 O ASP A 62 -2.752 9.536 -4.394 1.00 0.65 O ATOM 921 CB ASP A 62 -2.539 12.045 -2.298 1.00 1.00 C ATOM 922 CG ASP A 62 -2.631 13.333 -3.103 1.00 1.28 C ATOM 923 OD1 ASP A 62 -1.661 14.115 -3.089 1.00 1.40 O ATOM 924 OD2 ASP A 62 -3.664 13.580 -3.759 1.00 1.97 O ATOM 0 H ASP A 62 -0.121 12.515 -2.647 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.526 10.129 -2.274 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.531 11.599 -2.223 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.218 12.280 -1.283 1.00 1.00 H new ATOM 929 N ASP A 63 -1.703 11.292 -5.322 1.00 0.57 N ATOM 930 CA ASP A 63 -2.164 10.970 -6.670 1.00 0.62 C ATOM 931 C ASP A 63 -1.447 9.742 -7.199 1.00 0.52 C ATOM 932 O ASP A 63 -1.929 9.069 -8.090 1.00 0.65 O ATOM 933 CB ASP A 63 -1.991 12.150 -7.642 1.00 0.78 C ATOM 934 CG ASP A 63 -0.570 12.391 -8.102 1.00 1.29 C ATOM 935 OD1 ASP A 63 0.213 13.019 -7.354 1.00 1.94 O ATOM 936 OD2 ASP A 63 -0.233 12.002 -9.252 1.00 1.87 O ATOM 0 H ASP A 63 -1.091 12.106 -5.265 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.231 10.759 -6.602 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.617 11.976 -8.517 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.361 13.056 -7.161 1.00 0.78 H new ATOM 941 N VAL A 64 -0.302 9.455 -6.630 1.00 0.42 N ATOM 942 CA VAL A 64 0.474 8.288 -7.001 1.00 0.39 C ATOM 943 C VAL A 64 -0.061 7.065 -6.238 1.00 0.33 C ATOM 944 O VAL A 64 -0.032 5.934 -6.731 1.00 0.37 O ATOM 945 CB VAL A 64 1.984 8.505 -6.702 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.822 7.306 -7.115 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.484 9.755 -7.405 1.00 0.56 C ATOM 0 H VAL A 64 0.122 10.022 -5.896 1.00 0.42 H new ATOM 0 HA VAL A 64 0.374 8.119 -8.073 1.00 0.39 H new ATOM 0 HB VAL A 64 2.090 8.628 -5.624 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.871 7.500 -6.889 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.489 6.424 -6.568 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.708 7.134 -8.185 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.543 9.896 -7.188 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.346 9.647 -8.481 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.923 10.620 -7.052 1.00 0.56 H new ATOM 957 N ALA A 65 -0.589 7.320 -5.053 1.00 0.35 N ATOM 958 CA ALA A 65 -1.171 6.302 -4.212 1.00 0.38 C ATOM 959 C ALA A 65 -2.428 5.742 -4.847 1.00 0.43 C ATOM 960 O ALA A 65 -2.579 4.542 -4.981 1.00 0.47 O ATOM 961 CB ALA A 65 -1.493 6.880 -2.847 1.00 0.44 C ATOM 0 H ALA A 65 -0.623 8.255 -4.647 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.450 5.492 -4.097 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.932 6.105 -2.218 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.578 7.249 -2.383 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.201 7.702 -2.958 1.00 0.44 H new ATOM 967 N GLY A 66 -3.313 6.626 -5.282 1.00 0.49 N ATOM 968 CA GLY A 66 -4.566 6.186 -5.900 1.00 0.59 C ATOM 969 C GLY A 66 -4.379 5.789 -7.355 1.00 0.53 C ATOM 970 O GLY A 66 -5.316 5.345 -8.021 1.00 0.69 O ATOM 0 H GLY A 66 -3.196 7.637 -5.223 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.967 5.339 -5.343 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.302 6.987 -5.835 1.00 0.59 H new ATOM 974 N ARG A 67 -3.157 5.937 -7.831 1.00 0.45 N ATOM 975 CA ARG A 67 -2.802 5.622 -9.194 1.00 0.45 C ATOM 976 C ARG A 67 -2.596 4.110 -9.355 1.00 0.39 C ATOM 977 O ARG A 67 -2.664 3.568 -10.466 1.00 0.51 O ATOM 978 CB ARG A 67 -1.524 6.375 -9.552 1.00 0.56 C ATOM 979 CG ARG A 67 -1.050 6.202 -10.968 1.00 1.08 C ATOM 980 CD ARG A 67 -2.012 6.800 -11.979 1.00 1.48 C ATOM 981 NE ARG A 67 -1.527 6.568 -13.342 1.00 2.15 N ATOM 982 CZ ARG A 67 -1.942 7.186 -14.450 1.00 2.93 C ATOM 983 NH1 ARG A 67 -2.850 8.161 -14.382 1.00 3.24 N ATOM 984 NH2 ARG A 67 -1.423 6.827 -15.633 1.00 3.83 N ATOM 0 H ARG A 67 -2.377 6.284 -7.272 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.606 5.925 -9.864 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.684 7.437 -9.367 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -0.730 6.051 -8.879 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.072 6.670 -11.080 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -0.921 5.140 -11.178 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -3.000 6.357 -11.857 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -2.119 7.870 -11.801 1.00 1.48 H new ATOM 0 HE ARG A 67 -0.799 5.863 -13.456 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -3.233 8.439 -13.478 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -3.162 8.628 -15.234 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.720 6.090 -15.679 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -1.731 7.291 -16.487 1.00 3.83 H new ATOM 998 N VAL A 68 -2.336 3.431 -8.260 1.00 0.35 N ATOM 999 CA VAL A 68 -2.146 2.005 -8.324 1.00 0.34 C ATOM 1000 C VAL A 68 -3.487 1.309 -8.210 1.00 0.39 C ATOM 1001 O VAL A 68 -4.464 1.907 -7.749 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.140 1.460 -7.276 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.200 2.135 -7.442 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.653 1.633 -5.860 1.00 0.36 C ATOM 0 H VAL A 68 -2.253 3.839 -7.329 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.697 1.786 -9.293 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.024 0.390 -7.450 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.898 1.745 -6.701 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.585 1.938 -8.443 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.086 3.210 -7.302 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -0.920 1.239 -5.157 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.816 2.692 -5.659 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.593 1.093 -5.745 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.546 0.081 -8.604 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.806 -0.646 -8.601 1.00 0.49 C ATOM 1016 C ASP A 69 -4.682 -1.885 -7.760 1.00 0.40 C ATOM 1017 O ASP A 69 -5.635 -2.324 -7.081 1.00 0.39 O ATOM 1018 CB ASP A 69 -5.143 -1.036 -10.036 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.498 -1.643 -10.194 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.489 -0.954 -9.911 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.600 -2.850 -10.529 1.00 0.86 O ATOM 0 H ASP A 69 -2.744 -0.455 -8.936 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.594 -0.017 -8.186 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -5.076 -0.151 -10.668 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.395 -1.742 -10.396 1.00 0.68 H new ATOM 1026 N THR A 70 -3.496 -2.444 -7.788 1.00 0.38 N ATOM 1027 CA THR A 70 -3.203 -3.656 -7.106 1.00 0.35 C ATOM 1028 C THR A 70 -1.990 -3.458 -6.163 1.00 0.33 C ATOM 1029 O THR A 70 -1.088 -2.656 -6.468 1.00 0.33 O ATOM 1030 CB THR A 70 -2.945 -4.780 -8.148 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.848 -4.413 -9.010 1.00 0.48 O ATOM 1032 CG2 THR A 70 -4.188 -4.978 -9.012 1.00 0.47 C ATOM 0 H THR A 70 -2.703 -2.054 -8.297 1.00 0.38 H new ATOM 0 HA THR A 70 -4.051 -3.950 -6.488 1.00 0.35 H new ATOM 0 HB THR A 70 -2.707 -5.699 -7.613 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.972 -3.493 -9.324 1.00 0.48 H new ATOM 0 HG21 THR A 70 -4.003 -5.767 -9.741 1.00 0.47 H new ATOM 0 HG22 THR A 70 -5.030 -5.259 -8.379 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.420 -4.049 -9.533 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.970 -4.174 -5.007 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.935 -4.037 -3.946 1.00 0.33 C ATOM 1042 C PRO A 71 0.507 -4.071 -4.446 1.00 0.29 C ATOM 1043 O PRO A 71 1.357 -3.309 -3.967 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.210 -5.236 -3.043 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.671 -5.456 -3.178 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.982 -5.181 -4.622 1.00 0.39 C ATOM 0 HA PRO A 71 -1.010 -3.064 -3.461 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.643 -6.112 -3.358 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.931 -5.030 -2.010 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.942 -6.476 -2.905 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.231 -4.790 -2.521 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.902 -6.083 -5.229 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.996 -4.800 -4.749 1.00 0.39 H new ATOM 1054 N ARG A 72 0.766 -4.921 -5.419 1.00 0.31 N ATOM 1055 CA ARG A 72 2.110 -5.097 -5.970 1.00 0.31 C ATOM 1056 C ARG A 72 2.694 -3.803 -6.566 1.00 0.29 C ATOM 1057 O ARG A 72 3.895 -3.564 -6.474 1.00 0.31 O ATOM 1058 CB ARG A 72 2.139 -6.252 -6.976 1.00 0.36 C ATOM 1059 CG ARG A 72 1.074 -6.167 -8.055 1.00 0.48 C ATOM 1060 CD ARG A 72 1.134 -7.362 -8.979 1.00 0.58 C ATOM 1061 NE ARG A 72 2.362 -7.378 -9.762 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.020 -8.477 -10.160 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.683 -9.672 -9.690 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.049 -8.364 -10.993 1.00 2.47 N ATOM 0 H ARG A 72 0.058 -5.512 -5.855 1.00 0.31 H new ATOM 0 HA ARG A 72 2.761 -5.356 -5.135 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.120 -6.280 -7.451 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.019 -7.192 -6.437 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.088 -6.111 -7.593 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.209 -5.252 -8.631 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.064 -8.279 -8.393 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.275 -7.346 -9.650 1.00 0.58 H new ATOM 0 HE ARG A 72 2.755 -6.476 -10.031 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.918 -9.760 -9.021 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.189 -10.502 -9.998 1.00 1.35 H new ATOM 0 HH21 ARG A 72 4.336 -7.444 -11.327 1.00 2.47 H new ATOM 0 HH22 ARG A 72 4.552 -9.197 -11.298 1.00 2.47 H new ATOM 1078 N GLU A 73 1.835 -2.954 -7.111 1.00 0.28 N ATOM 1079 CA GLU A 73 2.276 -1.698 -7.703 1.00 0.28 C ATOM 1080 C GLU A 73 2.700 -0.729 -6.607 1.00 0.25 C ATOM 1081 O GLU A 73 3.737 -0.077 -6.700 1.00 0.25 O ATOM 1082 CB GLU A 73 1.142 -1.076 -8.481 1.00 0.33 C ATOM 1083 CG GLU A 73 0.587 -1.932 -9.581 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.668 -1.348 -10.146 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.569 -0.500 -11.057 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.763 -1.723 -9.711 1.00 2.06 O ATOM 0 H GLU A 73 0.828 -3.111 -7.156 1.00 0.28 H new ATOM 0 HA GLU A 73 3.118 -1.900 -8.365 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.336 -0.832 -7.789 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.488 -0.136 -8.911 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.329 -2.037 -10.372 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.385 -2.932 -9.199 1.00 0.45 H new ATOM 1093 N LEU A 74 1.885 -0.675 -5.559 1.00 0.27 N ATOM 1094 CA LEU A 74 2.103 0.203 -4.415 1.00 0.27 C ATOM 1095 C LEU A 74 3.423 -0.158 -3.764 1.00 0.25 C ATOM 1096 O LEU A 74 4.246 0.701 -3.471 1.00 0.25 O ATOM 1097 CB LEU A 74 0.954 -0.013 -3.414 1.00 0.30 C ATOM 1098 CG LEU A 74 0.752 1.037 -2.287 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.779 0.903 -1.181 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.787 2.446 -2.865 1.00 1.00 C ATOM 0 H LEU A 74 1.044 -1.247 -5.479 1.00 0.27 H new ATOM 0 HA LEU A 74 2.130 1.246 -4.729 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.026 -0.074 -3.982 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.103 -0.984 -2.941 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.226 0.848 -1.845 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.594 1.660 -0.419 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.705 -0.088 -0.734 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.778 1.041 -1.594 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.644 3.171 -2.064 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.751 2.619 -3.344 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.009 2.557 -3.601 1.00 1.00 H new ATOM 1112 N LEU A 75 3.608 -1.440 -3.575 1.00 0.29 N ATOM 1113 CA LEU A 75 4.770 -1.989 -2.941 1.00 0.34 C ATOM 1114 C LEU A 75 6.054 -1.624 -3.706 1.00 0.29 C ATOM 1115 O LEU A 75 7.091 -1.301 -3.100 1.00 0.30 O ATOM 1116 CB LEU A 75 4.594 -3.484 -2.888 1.00 0.49 C ATOM 1117 CG LEU A 75 5.712 -4.253 -2.261 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.787 -4.004 -0.760 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.588 -5.708 -2.594 1.00 0.90 C ATOM 0 H LEU A 75 2.933 -2.147 -3.868 1.00 0.29 H new ATOM 0 HA LEU A 75 4.873 -1.576 -1.938 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.677 -3.703 -2.341 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.453 -3.850 -3.905 1.00 0.49 H new ATOM 0 HG LEU A 75 6.656 -3.899 -2.676 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.611 -4.579 -0.337 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.952 -2.943 -0.575 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.852 -4.312 -0.293 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.408 -6.258 -2.132 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.638 -6.088 -2.217 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.628 -5.838 -3.675 1.00 0.90 H new ATOM 1131 N ASP A 76 5.966 -1.644 -5.029 1.00 0.29 N ATOM 1132 CA ASP A 76 7.097 -1.312 -5.891 1.00 0.33 C ATOM 1133 C ASP A 76 7.455 0.156 -5.734 1.00 0.29 C ATOM 1134 O ASP A 76 8.632 0.512 -5.666 1.00 0.33 O ATOM 1135 CB ASP A 76 6.791 -1.637 -7.362 1.00 0.40 C ATOM 1136 CG ASP A 76 7.952 -1.313 -8.291 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.953 -2.050 -8.302 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.882 -0.305 -9.026 1.00 0.63 O ATOM 0 H ASP A 76 5.115 -1.889 -5.535 1.00 0.29 H new ATOM 0 HA ASP A 76 7.949 -1.921 -5.587 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.544 -2.695 -7.452 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.911 -1.076 -7.678 1.00 0.40 H new ATOM 1143 N LEU A 77 6.427 0.989 -5.622 1.00 0.25 N ATOM 1144 CA LEU A 77 6.594 2.427 -5.409 1.00 0.25 C ATOM 1145 C LEU A 77 7.338 2.694 -4.111 1.00 0.26 C ATOM 1146 O LEU A 77 8.248 3.535 -4.059 1.00 0.32 O ATOM 1147 CB LEU A 77 5.240 3.127 -5.345 1.00 0.26 C ATOM 1148 CG LEU A 77 4.360 3.047 -6.579 1.00 0.31 C ATOM 1149 CD1 LEU A 77 3.042 3.752 -6.322 1.00 0.35 C ATOM 1150 CD2 LEU A 77 5.058 3.645 -7.788 1.00 0.38 C ATOM 0 H LEU A 77 5.453 0.690 -5.676 1.00 0.25 H new ATOM 0 HA LEU A 77 7.168 2.817 -6.250 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.684 2.710 -4.505 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.414 4.180 -5.121 1.00 0.26 H new ATOM 0 HG LEU A 77 4.164 1.997 -6.794 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.416 3.690 -7.212 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.531 3.275 -5.486 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.230 4.799 -6.083 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.404 3.574 -8.657 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.290 4.692 -7.593 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.981 3.099 -7.982 1.00 0.38 H new ATOM 1162 N ILE A 78 6.940 1.972 -3.068 1.00 0.25 N ATOM 1163 CA ILE A 78 7.544 2.094 -1.750 1.00 0.29 C ATOM 1164 C ILE A 78 9.030 1.783 -1.843 1.00 0.34 C ATOM 1165 O ILE A 78 9.861 2.628 -1.529 1.00 0.40 O ATOM 1166 CB ILE A 78 6.871 1.125 -0.728 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.368 1.431 -0.600 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.556 1.204 0.642 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.039 2.849 -0.161 1.00 0.46 C ATOM 0 H ILE A 78 6.188 1.285 -3.115 1.00 0.25 H new ATOM 0 HA ILE A 78 7.397 3.115 -1.399 1.00 0.29 H new ATOM 0 HB ILE A 78 6.986 0.108 -1.103 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.891 1.244 -1.562 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.930 0.734 0.114 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.066 0.519 1.334 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.606 0.929 0.540 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.483 2.221 1.027 1.00 0.43 H new ATOM 0 HD11 ILE A 78 3.957 2.969 -0.099 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.482 3.039 0.817 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.442 3.557 -0.885 1.00 0.46 H new ATOM 1181 N ASN A 79 9.346 0.576 -2.289 1.00 0.37 N ATOM 1182 CA ASN A 79 10.741 0.139 -2.436 1.00 0.46 C ATOM 1183 C ASN A 79 11.533 1.067 -3.351 1.00 0.40 C ATOM 1184 O ASN A 79 12.717 1.333 -3.109 1.00 0.45 O ATOM 1185 CB ASN A 79 10.834 -1.309 -2.935 1.00 0.62 C ATOM 1186 CG ASN A 79 10.367 -2.316 -1.908 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.447 -2.071 -0.716 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.928 -3.466 -2.348 1.00 0.56 N ATOM 0 H ASN A 79 8.657 -0.126 -2.558 1.00 0.37 H new ATOM 0 HA ASN A 79 11.186 0.184 -1.442 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.235 -1.416 -3.839 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.866 -1.528 -3.208 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.641 -4.189 -1.688 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.873 -3.641 -3.351 1.00 0.56 H new ATOM 1195 N GLY A 80 10.875 1.573 -4.382 1.00 0.38 N ATOM 1196 CA GLY A 80 11.493 2.508 -5.289 1.00 0.41 C ATOM 1197 C GLY A 80 11.885 3.804 -4.590 1.00 0.45 C ATOM 1198 O GLY A 80 13.037 4.250 -4.665 1.00 0.55 O ATOM 0 H GLY A 80 9.906 1.345 -4.607 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.379 2.052 -5.732 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.806 2.730 -6.106 1.00 0.41 H new ATOM 1202 N ALA A 81 10.947 4.366 -3.851 1.00 0.44 N ATOM 1203 CA ALA A 81 11.171 5.606 -3.114 1.00 0.51 C ATOM 1204 C ALA A 81 12.118 5.390 -1.936 1.00 0.54 C ATOM 1205 O ALA A 81 12.693 6.340 -1.417 1.00 0.69 O ATOM 1206 CB ALA A 81 9.849 6.198 -2.638 1.00 0.52 C ATOM 0 H ALA A 81 10.009 3.981 -3.742 1.00 0.44 H new ATOM 0 HA ALA A 81 11.642 6.315 -3.795 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.040 7.121 -2.091 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.215 6.410 -3.499 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.346 5.486 -1.983 1.00 0.52 H new ATOM 1212 N LEU A 82 12.252 4.151 -1.517 1.00 0.44 N ATOM 1213 CA LEU A 82 13.130 3.764 -0.442 1.00 0.50 C ATOM 1214 C LEU A 82 14.564 3.641 -0.950 1.00 0.60 C ATOM 1215 O LEU A 82 15.522 3.902 -0.220 1.00 0.70 O ATOM 1216 CB LEU A 82 12.637 2.442 0.146 1.00 0.48 C ATOM 1217 CG LEU A 82 13.471 1.843 1.258 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.503 2.757 2.481 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.963 0.464 1.620 1.00 0.66 C ATOM 0 H LEU A 82 11.740 3.369 -1.926 1.00 0.44 H new ATOM 0 HA LEU A 82 13.121 4.525 0.338 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.625 2.593 0.522 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.572 1.713 -0.662 1.00 0.48 H new ATOM 0 HG LEU A 82 14.495 1.745 0.897 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.110 2.299 3.262 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.934 3.719 2.205 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.488 2.906 2.850 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.575 0.049 2.421 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.928 0.534 1.953 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.020 -0.186 0.747 1.00 0.66 H new ATOM 1231 N ALA A 83 14.708 3.264 -2.210 1.00 0.64 N ATOM 1232 CA ALA A 83 16.018 3.165 -2.827 1.00 0.79 C ATOM 1233 C ALA A 83 16.639 4.560 -2.958 1.00 0.95 C ATOM 1234 O ALA A 83 17.839 4.750 -2.741 1.00 1.13 O ATOM 1235 CB ALA A 83 15.919 2.488 -4.181 1.00 0.86 C ATOM 0 H ALA A 83 13.932 3.021 -2.825 1.00 0.64 H new ATOM 0 HA ALA A 83 16.662 2.555 -2.194 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.911 2.423 -4.629 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.510 1.485 -4.057 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.265 3.069 -4.831 1.00 0.86 H new ATOM 1241 N GLU A 84 15.803 5.530 -3.293 1.00 0.95 N ATOM 1242 CA GLU A 84 16.202 6.910 -3.388 1.00 1.17 C ATOM 1243 C GLU A 84 16.241 7.541 -1.998 1.00 1.25 C ATOM 1244 O GLU A 84 17.013 8.465 -1.741 1.00 1.52 O ATOM 1245 CB GLU A 84 15.189 7.664 -4.245 1.00 1.23 C ATOM 1246 CG GLU A 84 15.127 7.231 -5.698 1.00 1.40 C ATOM 1247 CD GLU A 84 16.442 7.401 -6.406 1.00 1.80 C ATOM 1248 OE1 GLU A 84 16.870 8.546 -6.616 1.00 2.17 O ATOM 1249 OE2 GLU A 84 17.067 6.391 -6.784 1.00 2.47 O ATOM 0 H GLU A 84 14.819 5.371 -3.507 1.00 0.95 H new ATOM 0 HA GLU A 84 17.194 6.966 -3.837 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.200 7.542 -3.803 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.425 8.727 -4.209 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.823 6.186 -5.750 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.362 7.811 -6.214 1.00 1.40 H new ATOM 1256 N ALA A 85 15.392 7.008 -1.116 1.00 1.13 N ATOM 1257 CA ALA A 85 15.191 7.487 0.248 1.00 1.31 C ATOM 1258 C ALA A 85 14.722 8.927 0.229 1.00 1.69 C ATOM 1259 O ALA A 85 15.463 9.848 0.566 1.00 2.07 O ATOM 1260 CB ALA A 85 16.413 7.278 1.136 1.00 1.28 C ATOM 0 H ALA A 85 14.807 6.204 -1.343 1.00 1.13 H new ATOM 0 HA ALA A 85 14.407 6.882 0.703 1.00 1.31 H new ATOM 0 HB1 ALA A 85 16.203 7.654 2.138 1.00 1.28 H new ATOM 0 HB2 ALA A 85 16.647 6.215 1.189 1.00 1.28 H new ATOM 0 HB3 ALA A 85 17.263 7.816 0.717 1.00 1.28 H new ATOM 1266 N ALA A 86 13.517 9.104 -0.254 1.00 1.91 N ATOM 1267 CA ALA A 86 12.925 10.412 -0.403 1.00 2.53 C ATOM 1268 C ALA A 86 12.507 10.969 0.942 1.00 2.95 C ATOM 1269 O ALA A 86 13.265 11.782 1.509 1.00 3.39 O ATOM 1270 CB ALA A 86 11.756 10.357 -1.371 1.00 3.21 C ATOM 1271 OXT ALA A 86 11.437 10.592 1.452 1.00 3.44 O ATOM 0 H ALA A 86 12.914 8.339 -0.557 1.00 1.91 H new ATOM 0 HA ALA A 86 13.672 11.088 -0.819 1.00 2.53 H new ATOM 0 HB1 ALA A 86 11.321 11.351 -1.472 1.00 3.21 H new ATOM 0 HB2 ALA A 86 12.106 10.013 -2.344 1.00 3.21 H new ATOM 0 HB3 ALA A 86 11.002 9.667 -0.992 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -10.419 9.408 -2.612 1.00 1.71 P HETATM 1279 O26 SDO A 101 -11.491 9.962 -1.637 1.00 2.14 O HETATM 1280 O23 SDO A 101 -10.847 9.070 -4.061 1.00 2.28 O HETATM 1281 O27 SDO A 101 -9.227 10.379 -2.641 1.00 1.72 O HETATM 1282 C28 SDO A 101 -9.431 11.756 -3.109 1.00 1.71 C HETATM 1283 C29 SDO A 101 -8.149 12.577 -2.924 1.00 1.77 C HETATM 1284 C30 SDO A 101 -7.792 12.491 -1.435 1.00 1.95 C HETATM 1285 C31 SDO A 101 -7.044 11.990 -3.757 1.00 1.99 C HETATM 1286 C32 SDO A 101 -8.403 14.065 -3.448 1.00 2.08 C HETATM 1287 O33 SDO A 101 -8.573 14.066 -4.868 1.00 2.35 O HETATM 1288 C34 SDO A 101 -7.236 15.022 -3.189 1.00 2.45 C HETATM 1289 O35 SDO A 101 -6.611 15.472 -4.149 1.00 3.01 O HETATM 1290 N36 SDO A 101 -6.979 15.326 -1.944 1.00 2.76 N HETATM 1291 C37 SDO A 101 -5.926 16.219 -1.451 1.00 3.46 C HETATM 1292 C38 SDO A 101 -5.335 15.735 -0.106 1.00 3.69 C HETATM 1293 C39 SDO A 101 -6.395 15.325 0.940 1.00 3.12 C HETATM 1294 O40 SDO A 101 -6.135 14.494 1.828 1.00 3.47 O HETATM 1295 N41 SDO A 101 -7.593 15.891 0.792 1.00 2.75 N HETATM 1296 C42 SDO A 101 -8.752 15.634 1.635 1.00 2.56 C HETATM 1297 C43 SDO A 101 -9.852 16.610 1.306 1.00 3.16 C HETATM 1298 S1 SDO A 101 -11.431 16.523 2.174 1.00 3.65 S HETATM 1299 C1 SDO A 101 -11.608 15.224 3.420 1.00 3.41 C HETATM 1300 C2 SDO A 101 -10.452 14.270 3.696 1.00 3.06 C HETATM 1301 C3 SDO A 101 -10.639 13.131 4.807 1.00 3.84 C HETATM 1302 O3 SDO A 101 -9.672 12.380 5.002 1.00 4.23 O HETATM 1303 C4 SDO A 101 -11.935 12.859 5.691 1.00 4.62 C HETATM 1304 C5 SDO A 101 -13.176 13.746 5.511 1.00 4.78 C HETATM 1305 C6 SDO A 101 -14.319 13.328 6.433 1.00 5.75 C HETATM 1306 C7 SDO A 101 -15.605 14.155 6.247 1.00 6.28 C HETATM 1307 O7 SDO A 101 -16.609 13.920 6.938 1.00 7.10 O HETATM 1308 C8 SDO A 101 -15.622 15.272 5.212 1.00 6.09 C