USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 hydrogens (35 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 64:sc= 2.09 USER MOD Set 1.2: A 48 THR OG1 : rot -35:sc= 0.747 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 45:sc= 0.283 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 40 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 46 MET CE :methyl 138:sc= -0.394 (180deg=-1.34!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 55:sc= -1.75! USER MOD Single : A 59 SER OG : rot 16:sc= 1.1 USER MOD Single : A 70 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 87 SXO O33 : rot 4:sc= 0.849 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.541 10.622 -0.019 1.00 3.98 N ATOM 2 CA MET A 1 -18.212 11.035 -0.518 1.00 3.18 C ATOM 3 C MET A 1 -17.204 11.069 0.623 1.00 2.64 C ATOM 4 O MET A 1 -17.136 12.041 1.377 1.00 2.90 O ATOM 5 CB MET A 1 -18.299 12.410 -1.189 1.00 3.46 C ATOM 6 CG MET A 1 -16.970 12.914 -1.729 1.00 3.84 C ATOM 7 SD MET A 1 -17.103 14.534 -2.503 1.00 4.73 S ATOM 8 CE MET A 1 -15.403 14.830 -2.979 1.00 5.02 C ATOM 0 H1 MET A 1 -20.218 10.603 -0.808 1.00 3.98 H new ATOM 0 H2 MET A 1 -19.474 9.673 0.402 1.00 3.98 H new ATOM 0 H3 MET A 1 -19.867 11.298 0.701 1.00 3.98 H new ATOM 0 HA MET A 1 -17.878 10.306 -1.257 1.00 3.18 H new ATOM 0 HB2 MET A 1 -19.018 12.360 -2.007 1.00 3.46 H new ATOM 0 HB3 MET A 1 -18.685 13.132 -0.469 1.00 3.46 H new ATOM 0 HG2 MET A 1 -16.247 12.963 -0.915 1.00 3.84 H new ATOM 0 HG3 MET A 1 -16.583 12.199 -2.456 1.00 3.84 H new ATOM 0 HE1 MET A 1 -15.327 15.799 -3.472 1.00 5.02 H new ATOM 0 HE2 MET A 1 -14.770 14.824 -2.091 1.00 5.02 H new ATOM 0 HE3 MET A 1 -15.075 14.048 -3.664 1.00 5.02 H new ATOM 20 N ALA A 2 -16.439 9.996 0.760 1.00 2.32 N ATOM 21 CA ALA A 2 -15.428 9.902 1.800 1.00 1.93 C ATOM 22 C ALA A 2 -14.038 10.156 1.225 1.00 1.46 C ATOM 23 O ALA A 2 -13.862 10.235 0.007 1.00 1.43 O ATOM 24 CB ALA A 2 -15.492 8.539 2.477 1.00 2.06 C ATOM 0 H ALA A 2 -16.501 9.174 0.159 1.00 2.32 H new ATOM 0 HA ALA A 2 -15.628 10.669 2.549 1.00 1.93 H new ATOM 0 HB1 ALA A 2 -14.729 8.482 3.254 1.00 2.06 H new ATOM 0 HB2 ALA A 2 -16.476 8.401 2.924 1.00 2.06 H new ATOM 0 HB3 ALA A 2 -15.316 7.757 1.738 1.00 2.06 H new ATOM 30 N THR A 3 -13.059 10.286 2.105 1.00 1.35 N ATOM 31 CA THR A 3 -11.683 10.504 1.701 1.00 1.09 C ATOM 32 C THR A 3 -11.073 9.215 1.162 1.00 0.90 C ATOM 33 O THR A 3 -10.814 8.277 1.914 1.00 1.14 O ATOM 34 CB THR A 3 -10.849 11.017 2.890 1.00 1.49 C ATOM 35 OG1 THR A 3 -11.072 10.179 4.031 1.00 2.10 O ATOM 36 CG2 THR A 3 -11.216 12.456 3.231 1.00 2.10 C ATOM 0 H THR A 3 -13.196 10.243 3.115 1.00 1.35 H new ATOM 0 HA THR A 3 -11.675 11.255 0.911 1.00 1.09 H new ATOM 0 HB THR A 3 -9.796 10.987 2.611 1.00 1.49 H new ATOM 0 HG1 THR A 3 -11.039 9.238 3.758 1.00 2.10 H new ATOM 0 HG21 THR A 3 -10.614 12.795 4.074 1.00 2.10 H new ATOM 0 HG22 THR A 3 -11.025 13.094 2.368 1.00 2.10 H new ATOM 0 HG23 THR A 3 -12.272 12.509 3.495 1.00 2.10 H new ATOM 44 N LEU A 4 -10.890 9.156 -0.147 1.00 0.64 N ATOM 45 CA LEU A 4 -10.318 7.978 -0.786 1.00 0.51 C ATOM 46 C LEU A 4 -8.803 7.935 -0.586 1.00 0.45 C ATOM 47 O LEU A 4 -8.201 8.904 -0.123 1.00 0.52 O ATOM 48 CB LEU A 4 -10.650 7.972 -2.279 1.00 0.57 C ATOM 49 CG LEU A 4 -12.144 8.034 -2.618 1.00 0.58 C ATOM 50 CD1 LEU A 4 -12.346 8.087 -4.122 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.888 6.846 -2.022 1.00 0.84 C ATOM 0 H LEU A 4 -11.129 9.911 -0.790 1.00 0.64 H new ATOM 0 HA LEU A 4 -10.753 7.093 -0.322 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -10.152 8.820 -2.749 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -10.230 7.070 -2.724 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.553 8.944 -2.180 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -13.412 8.131 -4.345 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.855 8.973 -4.524 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.916 7.195 -4.578 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.946 6.914 -2.277 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.477 5.920 -2.424 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.775 6.853 -0.938 1.00 0.84 H new ATOM 63 N LEU A 5 -8.195 6.812 -0.957 1.00 0.39 N ATOM 64 CA LEU A 5 -6.758 6.613 -0.770 1.00 0.35 C ATOM 65 C LEU A 5 -5.992 7.304 -1.893 1.00 0.35 C ATOM 66 O LEU A 5 -6.250 7.052 -3.070 1.00 0.41 O ATOM 67 CB LEU A 5 -6.428 5.110 -0.760 1.00 0.38 C ATOM 68 CG LEU A 5 -5.325 4.664 0.212 1.00 0.58 C ATOM 69 CD1 LEU A 5 -5.104 3.169 0.098 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.019 5.401 -0.045 1.00 0.98 C ATOM 0 H LEU A 5 -8.675 6.023 -1.390 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.462 7.045 0.186 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -7.339 4.561 -0.520 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -6.135 4.817 -1.768 1.00 0.38 H new ATOM 0 HG LEU A 5 -5.655 4.908 1.222 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -4.320 2.863 0.791 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -6.028 2.645 0.341 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.804 2.922 -0.920 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.263 5.059 0.662 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -3.682 5.200 -1.062 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -4.175 6.472 0.081 1.00 0.98 H new ATOM 82 N THR A 6 -5.062 8.173 -1.530 1.00 0.39 N ATOM 83 CA THR A 6 -4.296 8.911 -2.518 1.00 0.49 C ATOM 84 C THR A 6 -2.859 8.401 -2.604 1.00 0.42 C ATOM 85 O THR A 6 -2.405 7.634 -1.750 1.00 0.41 O ATOM 86 CB THR A 6 -4.287 10.423 -2.219 1.00 0.69 C ATOM 87 OG1 THR A 6 -3.696 10.672 -0.936 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.698 10.992 -2.258 1.00 1.03 C ATOM 0 H THR A 6 -4.821 8.383 -0.561 1.00 0.39 H new ATOM 0 HA THR A 6 -4.787 8.748 -3.477 1.00 0.49 H new ATOM 0 HB THR A 6 -3.693 10.917 -2.988 1.00 0.69 H new ATOM 0 HG1 THR A 6 -3.694 11.636 -0.758 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.666 12.060 -2.044 1.00 1.03 H new ATOM 0 HG22 THR A 6 -6.127 10.833 -3.247 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.313 10.491 -1.511 1.00 1.03 H new ATOM 96 N THR A 7 -2.154 8.832 -3.642 1.00 0.47 N ATOM 97 CA THR A 7 -0.761 8.458 -3.850 1.00 0.45 C ATOM 98 C THR A 7 0.131 8.851 -2.677 1.00 0.34 C ATOM 99 O THR A 7 0.825 8.011 -2.102 1.00 0.33 O ATOM 100 CB THR A 7 -0.232 9.124 -5.123 1.00 0.59 C ATOM 101 OG1 THR A 7 -0.899 10.379 -5.313 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.450 8.230 -6.329 1.00 1.06 C ATOM 0 H THR A 7 -2.530 9.449 -4.362 1.00 0.47 H new ATOM 0 HA THR A 7 -0.732 7.372 -3.942 1.00 0.45 H new ATOM 0 HB THR A 7 0.840 9.291 -5.015 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.561 10.809 -6.126 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.066 8.724 -7.222 1.00 1.06 H new ATOM 0 HG22 THR A 7 0.075 7.286 -6.182 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.516 8.037 -6.451 1.00 1.06 H new ATOM 110 N ASP A 8 0.124 10.135 -2.341 1.00 0.41 N ATOM 111 CA ASP A 8 0.983 10.658 -1.283 1.00 0.46 C ATOM 112 C ASP A 8 0.644 10.043 0.067 1.00 0.40 C ATOM 113 O ASP A 8 1.528 9.848 0.904 1.00 0.48 O ATOM 114 CB ASP A 8 0.882 12.182 -1.211 1.00 0.64 C ATOM 115 CG ASP A 8 1.537 12.859 -2.397 1.00 1.36 C ATOM 116 OD1 ASP A 8 0.962 12.808 -3.503 1.00 2.19 O ATOM 117 OD2 ASP A 8 2.633 13.433 -2.228 1.00 1.63 O ATOM 0 H ASP A 8 -0.468 10.836 -2.786 1.00 0.41 H new ATOM 0 HA ASP A 8 2.009 10.384 -1.528 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.168 12.472 -1.164 1.00 0.64 H new ATOM 0 HB3 ASP A 8 1.351 12.532 -0.291 1.00 0.64 H new ATOM 122 N ASP A 9 -0.632 9.723 0.269 1.00 0.40 N ATOM 123 CA ASP A 9 -1.071 9.063 1.495 1.00 0.44 C ATOM 124 C ASP A 9 -0.407 7.697 1.592 1.00 0.38 C ATOM 125 O ASP A 9 0.169 7.334 2.620 1.00 0.44 O ATOM 126 CB ASP A 9 -2.588 8.887 1.495 1.00 0.58 C ATOM 127 CG ASP A 9 -3.177 8.808 2.892 1.00 0.86 C ATOM 128 OD1 ASP A 9 -2.787 7.885 3.643 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.002 9.672 3.252 1.00 1.12 O ATOM 0 H ASP A 9 -1.379 9.910 -0.400 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.789 9.680 2.348 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.045 9.720 0.961 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -2.843 7.980 0.948 1.00 0.58 H new ATOM 134 N LEU A 10 -0.471 6.956 0.487 1.00 0.35 N ATOM 135 CA LEU A 10 0.158 5.648 0.393 1.00 0.37 C ATOM 136 C LEU A 10 1.661 5.767 0.613 1.00 0.37 C ATOM 137 O LEU A 10 2.251 4.971 1.339 1.00 0.42 O ATOM 138 CB LEU A 10 -0.127 5.016 -0.973 1.00 0.42 C ATOM 139 CG LEU A 10 0.427 3.600 -1.168 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.182 2.641 -0.159 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.162 3.119 -2.587 1.00 0.79 C ATOM 0 H LEU A 10 -0.958 7.247 -0.361 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.260 5.006 1.169 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.206 4.990 -1.125 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.289 5.661 -1.747 1.00 0.42 H new ATOM 0 HG LEU A 10 1.504 3.627 -1.005 1.00 0.58 H new ATOM 0 HD11 LEU A 10 0.225 1.642 -0.315 1.00 1.08 H new ATOM 0 HD12 LEU A 10 0.056 2.976 0.851 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.264 2.616 -0.288 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.561 2.112 -2.710 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.912 3.109 -2.773 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.647 3.791 -3.295 1.00 0.79 H new ATOM 153 N ARG A 11 2.266 6.777 -0.004 1.00 0.37 N ATOM 154 CA ARG A 11 3.695 7.037 0.149 1.00 0.45 C ATOM 155 C ARG A 11 4.076 7.135 1.627 1.00 0.48 C ATOM 156 O ARG A 11 5.108 6.609 2.046 1.00 0.60 O ATOM 157 CB ARG A 11 4.078 8.325 -0.587 1.00 0.52 C ATOM 158 CG ARG A 11 5.532 8.741 -0.400 1.00 0.67 C ATOM 159 CD ARG A 11 5.841 10.051 -1.115 1.00 0.85 C ATOM 160 NE ARG A 11 5.963 9.888 -2.567 1.00 1.04 N ATOM 161 CZ ARG A 11 5.387 10.694 -3.463 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.605 11.692 -3.059 1.00 1.64 N ATOM 163 NH2 ARG A 11 5.608 10.510 -4.760 1.00 2.17 N ATOM 0 H ARG A 11 1.786 7.434 -0.619 1.00 0.37 H new ATOM 0 HA ARG A 11 4.245 6.204 -0.288 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.883 8.194 -1.651 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.433 9.133 -0.242 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.746 8.848 0.663 1.00 0.67 H new ATOM 0 HG3 ARG A 11 6.187 7.956 -0.779 1.00 0.67 H new ATOM 0 HD2 ARG A 11 5.053 10.772 -0.899 1.00 0.85 H new ATOM 0 HD3 ARG A 11 6.769 10.465 -0.721 1.00 0.85 H new ATOM 0 HE ARG A 11 6.523 9.110 -2.915 1.00 1.04 H new ATOM 0 HH11 ARG A 11 4.444 11.843 -2.063 1.00 1.64 H new ATOM 0 HH12 ARG A 11 4.166 12.306 -3.745 1.00 1.64 H new ATOM 0 HH21 ARG A 11 6.217 9.753 -5.071 1.00 2.17 H new ATOM 0 HH22 ARG A 11 5.168 11.125 -5.445 1.00 2.17 H new ATOM 177 N ARG A 12 3.228 7.789 2.415 1.00 0.43 N ATOM 178 CA ARG A 12 3.477 7.938 3.843 1.00 0.46 C ATOM 179 C ARG A 12 3.316 6.605 4.573 1.00 0.44 C ATOM 180 O ARG A 12 4.026 6.329 5.541 1.00 0.46 O ATOM 181 CB ARG A 12 2.531 8.978 4.446 1.00 0.53 C ATOM 182 CG ARG A 12 2.750 10.394 3.928 1.00 0.91 C ATOM 183 CD ARG A 12 4.175 10.864 4.166 1.00 1.49 C ATOM 184 NE ARG A 12 4.520 10.893 5.586 1.00 2.06 N ATOM 185 CZ ARG A 12 5.421 11.720 6.118 1.00 2.93 C ATOM 186 NH1 ARG A 12 6.062 12.597 5.354 1.00 3.32 N ATOM 187 NH2 ARG A 12 5.673 11.677 7.420 1.00 3.66 N ATOM 0 H ARG A 12 2.364 8.223 2.089 1.00 0.43 H new ATOM 0 HA ARG A 12 4.506 8.277 3.967 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.503 8.682 4.238 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.650 8.977 5.529 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.528 10.430 2.861 1.00 0.91 H new ATOM 0 HG3 ARG A 12 2.055 11.074 4.421 1.00 0.91 H new ATOM 0 HD2 ARG A 12 4.865 10.204 3.640 1.00 1.49 H new ATOM 0 HD3 ARG A 12 4.302 11.861 3.743 1.00 1.49 H new ATOM 0 HE ARG A 12 4.042 10.241 6.208 1.00 2.06 H new ATOM 0 HH11 ARG A 12 5.866 12.641 4.354 1.00 3.32 H new ATOM 0 HH12 ARG A 12 6.750 13.227 5.767 1.00 3.32 H new ATOM 0 HH21 ARG A 12 5.178 11.012 8.014 1.00 3.66 H new ATOM 0 HH22 ARG A 12 6.362 12.309 7.827 1.00 3.66 H new ATOM 201 N ALA A 13 2.396 5.775 4.091 1.00 0.43 N ATOM 202 CA ALA A 13 2.142 4.471 4.696 1.00 0.44 C ATOM 203 C ALA A 13 3.369 3.569 4.586 1.00 0.43 C ATOM 204 O ALA A 13 3.677 2.811 5.509 1.00 0.47 O ATOM 205 CB ALA A 13 0.938 3.809 4.044 1.00 0.49 C ATOM 0 H ALA A 13 1.812 5.983 3.281 1.00 0.43 H new ATOM 0 HA ALA A 13 1.927 4.624 5.754 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.762 2.838 4.506 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.059 4.439 4.178 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.129 3.675 2.979 1.00 0.49 H new ATOM 211 N LEU A 14 4.068 3.657 3.457 1.00 0.41 N ATOM 212 CA LEU A 14 5.301 2.900 3.262 1.00 0.45 C ATOM 213 C LEU A 14 6.370 3.372 4.244 1.00 0.47 C ATOM 214 O LEU A 14 7.088 2.565 4.833 1.00 0.53 O ATOM 215 CB LEU A 14 5.810 3.037 1.815 1.00 0.49 C ATOM 216 CG LEU A 14 5.170 2.086 0.786 1.00 0.51 C ATOM 217 CD1 LEU A 14 5.237 0.644 1.270 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.732 2.479 0.485 1.00 0.70 C ATOM 0 H LEU A 14 3.802 4.243 2.666 1.00 0.41 H new ATOM 0 HA LEU A 14 5.087 1.848 3.449 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.643 4.063 1.487 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.888 2.873 1.812 1.00 0.49 H new ATOM 0 HG LEU A 14 5.741 2.170 -0.139 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.779 -0.010 0.528 1.00 0.79 H new ATOM 0 HD12 LEU A 14 6.278 0.357 1.414 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.701 0.552 2.215 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.311 1.787 -0.245 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.145 2.441 1.402 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.708 3.491 0.081 1.00 0.70 H new ATOM 230 N VAL A 15 6.449 4.682 4.435 1.00 0.50 N ATOM 231 CA VAL A 15 7.410 5.268 5.365 1.00 0.57 C ATOM 232 C VAL A 15 7.157 4.777 6.781 1.00 0.60 C ATOM 233 O VAL A 15 8.080 4.356 7.468 1.00 0.71 O ATOM 234 CB VAL A 15 7.363 6.812 5.338 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.275 7.411 6.402 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.758 7.322 3.970 1.00 0.60 C ATOM 0 H VAL A 15 5.858 5.362 3.957 1.00 0.50 H new ATOM 0 HA VAL A 15 8.402 4.949 5.044 1.00 0.57 H new ATOM 0 HB VAL A 15 6.341 7.121 5.555 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.220 8.499 6.358 1.00 0.70 H new ATOM 0 HG12 VAL A 15 7.956 7.071 7.387 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.302 7.092 6.223 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.721 8.411 3.963 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.770 6.992 3.737 1.00 0.60 H new ATOM 0 HG23 VAL A 15 7.068 6.931 3.223 1.00 0.60 H new ATOM 246 N GLU A 16 5.904 4.818 7.204 1.00 0.59 N ATOM 247 CA GLU A 16 5.524 4.363 8.541 1.00 0.70 C ATOM 248 C GLU A 16 5.808 2.873 8.731 1.00 0.75 C ATOM 249 O GLU A 16 5.872 2.383 9.859 1.00 0.92 O ATOM 250 CB GLU A 16 4.045 4.659 8.791 1.00 0.86 C ATOM 251 CG GLU A 16 3.748 6.138 8.922 1.00 0.96 C ATOM 252 CD GLU A 16 2.266 6.433 8.914 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.540 5.890 9.771 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.817 7.205 8.043 1.00 1.28 O ATOM 0 H GLU A 16 5.126 5.163 6.641 1.00 0.59 H new ATOM 0 HA GLU A 16 6.128 4.907 9.267 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.455 4.247 7.972 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.727 4.149 9.700 1.00 0.86 H new ATOM 0 HG2 GLU A 16 4.185 6.512 9.848 1.00 0.96 H new ATOM 0 HG3 GLU A 16 4.227 6.675 8.103 1.00 0.96 H new ATOM 261 N SER A 17 5.984 2.160 7.623 1.00 0.68 N ATOM 262 CA SER A 17 6.307 0.740 7.666 1.00 0.78 C ATOM 263 C SER A 17 7.811 0.520 7.846 1.00 0.80 C ATOM 264 O SER A 17 8.254 -0.585 8.166 1.00 1.05 O ATOM 265 CB SER A 17 5.822 0.050 6.390 1.00 0.81 C ATOM 266 OG SER A 17 4.431 0.259 6.196 1.00 1.25 O ATOM 0 H SER A 17 5.908 2.545 6.682 1.00 0.68 H new ATOM 0 HA SER A 17 5.797 0.303 8.524 1.00 0.78 H new ATOM 0 HB2 SER A 17 6.374 0.434 5.532 1.00 0.81 H new ATOM 0 HB3 SER A 17 6.028 -1.019 6.449 1.00 0.81 H new ATOM 0 HG SER A 17 4.261 1.213 6.052 1.00 1.25 H new ATOM 272 N ALA A 18 8.591 1.579 7.647 1.00 0.74 N ATOM 273 CA ALA A 18 10.039 1.502 7.793 1.00 0.87 C ATOM 274 C ALA A 18 10.579 2.751 8.487 1.00 1.11 C ATOM 275 O ALA A 18 10.771 2.757 9.703 1.00 1.68 O ATOM 276 CB ALA A 18 10.701 1.292 6.438 1.00 1.09 C ATOM 0 H ALA A 18 8.243 2.501 7.384 1.00 0.74 H new ATOM 0 HA ALA A 18 10.279 0.644 8.421 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.782 1.237 6.566 1.00 1.09 H new ATOM 0 HB2 ALA A 18 10.340 0.363 5.997 1.00 1.09 H new ATOM 0 HB3 ALA A 18 10.456 2.126 5.780 1.00 1.09 H new ATOM 282 N GLY A 19 10.812 3.814 7.719 1.00 1.18 N ATOM 283 CA GLY A 19 11.245 5.068 8.305 1.00 1.63 C ATOM 284 C GLY A 19 12.711 5.355 8.071 1.00 1.60 C ATOM 285 O GLY A 19 13.179 6.471 8.304 1.00 2.14 O ATOM 0 H GLY A 19 10.708 3.827 6.704 1.00 1.18 H new ATOM 0 HA2 GLY A 19 10.650 5.881 7.889 1.00 1.63 H new ATOM 0 HA3 GLY A 19 11.051 5.048 9.377 1.00 1.63 H new ATOM 289 N GLU A 20 13.437 4.363 7.590 1.00 1.86 N ATOM 290 CA GLU A 20 14.862 4.511 7.356 1.00 2.28 C ATOM 291 C GLU A 20 15.112 4.891 5.902 1.00 2.06 C ATOM 292 O GLU A 20 14.520 4.307 4.995 1.00 2.51 O ATOM 293 CB GLU A 20 15.592 3.215 7.711 1.00 3.28 C ATOM 294 CG GLU A 20 17.095 3.274 7.487 1.00 4.13 C ATOM 295 CD GLU A 20 17.746 4.449 8.188 1.00 4.94 C ATOM 296 OE1 GLU A 20 17.982 4.369 9.410 1.00 5.47 O ATOM 297 OE2 GLU A 20 18.025 5.463 7.520 1.00 5.32 O ATOM 0 H GLU A 20 13.063 3.444 7.353 1.00 1.86 H new ATOM 0 HA GLU A 20 15.248 5.306 7.993 1.00 2.28 H new ATOM 0 HB2 GLU A 20 15.399 2.976 8.757 1.00 3.28 H new ATOM 0 HB3 GLU A 20 15.177 2.401 7.116 1.00 3.28 H new ATOM 0 HG2 GLU A 20 17.548 2.348 7.842 1.00 4.13 H new ATOM 0 HG3 GLU A 20 17.296 3.337 6.418 1.00 4.13 H new ATOM 304 N THR A 21 15.987 5.865 5.688 1.00 2.21 N ATOM 305 CA THR A 21 16.288 6.349 4.348 1.00 2.61 C ATOM 306 C THR A 21 17.635 5.812 3.891 1.00 2.53 C ATOM 307 O THR A 21 18.634 6.533 3.863 1.00 3.19 O ATOM 308 CB THR A 21 16.335 7.878 4.300 1.00 3.61 C ATOM 309 OG1 THR A 21 15.329 8.433 5.158 1.00 3.97 O ATOM 310 CG2 THR A 21 16.126 8.379 2.876 1.00 4.47 C ATOM 0 H THR A 21 16.503 6.337 6.430 1.00 2.21 H new ATOM 0 HA THR A 21 15.493 5.998 3.690 1.00 2.61 H new ATOM 0 HB THR A 21 17.318 8.198 4.645 1.00 3.61 H new ATOM 0 HG1 THR A 21 15.370 9.411 5.120 1.00 3.97 H new ATOM 0 HG21 THR A 21 16.163 9.468 2.864 1.00 4.47 H new ATOM 0 HG22 THR A 21 16.911 7.982 2.232 1.00 4.47 H new ATOM 0 HG23 THR A 21 15.154 8.045 2.512 1.00 4.47 H new ATOM 318 N ASP A 22 17.655 4.532 3.592 1.00 2.22 N ATOM 319 CA ASP A 22 18.877 3.844 3.175 1.00 2.50 C ATOM 320 C ASP A 22 19.375 4.365 1.830 1.00 2.35 C ATOM 321 O ASP A 22 20.549 4.708 1.679 1.00 2.83 O ATOM 322 CB ASP A 22 18.641 2.329 3.099 1.00 3.16 C ATOM 323 CG ASP A 22 19.870 1.571 2.635 1.00 3.77 C ATOM 324 OD1 ASP A 22 20.839 1.461 3.415 1.00 4.01 O ATOM 325 OD2 ASP A 22 19.865 1.068 1.492 1.00 4.40 O ATOM 0 H ASP A 22 16.831 3.931 3.628 1.00 2.22 H new ATOM 0 HA ASP A 22 19.644 4.047 3.923 1.00 2.50 H new ATOM 0 HB2 ASP A 22 18.341 1.962 4.080 1.00 3.16 H new ATOM 0 HB3 ASP A 22 17.815 2.127 2.417 1.00 3.16 H new ATOM 330 N GLY A 23 18.475 4.423 0.860 1.00 2.30 N ATOM 331 CA GLY A 23 18.823 4.916 -0.460 1.00 2.50 C ATOM 332 C GLY A 23 17.728 4.638 -1.463 1.00 2.18 C ATOM 333 O GLY A 23 17.966 4.038 -2.508 1.00 2.54 O ATOM 0 H GLY A 23 17.502 4.135 0.963 1.00 2.30 H new ATOM 0 HA2 GLY A 23 19.009 5.989 -0.411 1.00 2.50 H new ATOM 0 HA3 GLY A 23 19.749 4.447 -0.792 1.00 2.50 H new ATOM 337 N THR A 24 16.524 5.081 -1.142 1.00 1.95 N ATOM 338 CA THR A 24 15.357 4.783 -1.951 1.00 2.00 C ATOM 339 C THR A 24 14.624 6.065 -2.333 1.00 1.78 C ATOM 340 O THR A 24 14.149 6.793 -1.458 1.00 1.91 O ATOM 341 CB THR A 24 14.397 3.866 -1.172 1.00 2.29 C ATOM 342 OG1 THR A 24 15.133 2.778 -0.590 1.00 3.02 O ATOM 343 CG2 THR A 24 13.305 3.320 -2.081 1.00 2.19 C ATOM 0 H THR A 24 16.330 5.653 -0.320 1.00 1.95 H new ATOM 0 HA THR A 24 15.692 4.281 -2.859 1.00 2.00 H new ATOM 0 HB THR A 24 13.925 4.453 -0.384 1.00 2.29 H new ATOM 0 HG1 THR A 24 14.520 2.197 -0.093 1.00 3.02 H new ATOM 0 HG21 THR A 24 12.641 2.675 -1.505 1.00 2.19 H new ATOM 0 HG22 THR A 24 12.733 4.148 -2.501 1.00 2.19 H new ATOM 0 HG23 THR A 24 13.758 2.745 -2.889 1.00 2.19 H new ATOM 351 N ASP A 25 14.562 6.359 -3.631 1.00 1.72 N ATOM 352 CA ASP A 25 13.848 7.539 -4.114 1.00 1.73 C ATOM 353 C ASP A 25 12.339 7.338 -4.018 1.00 1.40 C ATOM 354 O ASP A 25 11.657 7.157 -5.025 1.00 1.55 O ATOM 355 CB ASP A 25 14.227 7.858 -5.565 1.00 2.18 C ATOM 356 CG ASP A 25 15.708 8.098 -5.746 1.00 2.30 C ATOM 357 OD1 ASP A 25 16.173 9.224 -5.474 1.00 2.59 O ATOM 358 OD2 ASP A 25 16.413 7.162 -6.169 1.00 2.76 O ATOM 0 H ASP A 25 14.996 5.798 -4.364 1.00 1.72 H new ATOM 0 HA ASP A 25 14.139 8.377 -3.480 1.00 1.73 H new ATOM 0 HB2 ASP A 25 13.917 7.033 -6.206 1.00 2.18 H new ATOM 0 HB3 ASP A 25 13.678 8.741 -5.893 1.00 2.18 H new ATOM 363 N LEU A 26 11.818 7.359 -2.795 1.00 1.15 N ATOM 364 CA LEU A 26 10.391 7.169 -2.566 1.00 1.01 C ATOM 365 C LEU A 26 9.640 8.479 -2.794 1.00 1.04 C ATOM 366 O LEU A 26 8.409 8.511 -2.829 1.00 1.18 O ATOM 367 CB LEU A 26 10.152 6.653 -1.140 1.00 1.12 C ATOM 368 CG LEU A 26 8.699 6.307 -0.801 1.00 0.89 C ATOM 369 CD1 LEU A 26 8.201 5.173 -1.683 1.00 1.28 C ATOM 370 CD2 LEU A 26 8.568 5.940 0.671 1.00 1.60 C ATOM 0 H LEU A 26 12.364 7.506 -1.946 1.00 1.15 H new ATOM 0 HA LEU A 26 10.015 6.429 -3.272 1.00 1.01 H new ATOM 0 HB2 LEU A 26 10.765 5.765 -0.986 1.00 1.12 H new ATOM 0 HB3 LEU A 26 10.502 7.408 -0.435 1.00 1.12 H new ATOM 0 HG LEU A 26 8.082 7.185 -0.992 1.00 0.89 H new ATOM 0 HD11 LEU A 26 7.167 4.941 -1.428 1.00 1.28 H new ATOM 0 HD12 LEU A 26 8.258 5.474 -2.729 1.00 1.28 H new ATOM 0 HD13 LEU A 26 8.821 4.290 -1.525 1.00 1.28 H new ATOM 0 HD21 LEU A 26 7.529 5.697 0.894 1.00 1.60 H new ATOM 0 HD22 LEU A 26 9.197 5.077 0.888 1.00 1.60 H new ATOM 0 HD23 LEU A 26 8.884 6.783 1.286 1.00 1.60 H new ATOM 382 N SER A 27 10.398 9.555 -2.958 1.00 1.09 N ATOM 383 CA SER A 27 9.826 10.868 -3.197 1.00 1.24 C ATOM 384 C SER A 27 9.259 10.958 -4.612 1.00 1.33 C ATOM 385 O SER A 27 8.391 11.782 -4.891 1.00 1.85 O ATOM 386 CB SER A 27 10.897 11.937 -2.976 1.00 1.39 C ATOM 387 OG SER A 27 12.093 11.599 -3.661 1.00 2.08 O ATOM 0 H SER A 27 11.417 9.541 -2.929 1.00 1.09 H new ATOM 0 HA SER A 27 9.007 11.034 -2.497 1.00 1.24 H new ATOM 0 HB2 SER A 27 10.532 12.902 -3.327 1.00 1.39 H new ATOM 0 HB3 SER A 27 11.100 12.041 -1.910 1.00 1.39 H new ATOM 0 HG SER A 27 12.765 12.296 -3.509 1.00 2.08 H new ATOM 393 N GLY A 28 9.743 10.088 -5.496 1.00 1.34 N ATOM 394 CA GLY A 28 9.286 10.092 -6.867 1.00 1.58 C ATOM 395 C GLY A 28 8.321 8.963 -7.159 1.00 1.41 C ATOM 396 O GLY A 28 7.147 9.028 -6.786 1.00 1.84 O ATOM 0 H GLY A 28 10.445 9.380 -5.282 1.00 1.34 H new ATOM 0 HA2 GLY A 28 8.802 11.044 -7.083 1.00 1.58 H new ATOM 0 HA3 GLY A 28 10.145 10.013 -7.533 1.00 1.58 H new ATOM 400 N ASP A 29 8.825 7.919 -7.801 1.00 1.35 N ATOM 401 CA ASP A 29 7.988 6.815 -8.255 1.00 1.28 C ATOM 402 C ASP A 29 8.012 5.673 -7.246 1.00 1.21 C ATOM 403 O ASP A 29 8.930 5.568 -6.433 1.00 1.84 O ATOM 404 CB ASP A 29 8.466 6.323 -9.625 1.00 1.54 C ATOM 405 CG ASP A 29 7.539 5.302 -10.266 1.00 2.18 C ATOM 406 OD1 ASP A 29 6.368 5.188 -9.842 1.00 2.77 O ATOM 407 OD2 ASP A 29 7.982 4.624 -11.219 1.00 2.64 O ATOM 0 H ASP A 29 9.815 7.812 -8.021 1.00 1.35 H new ATOM 0 HA ASP A 29 6.962 7.171 -8.345 1.00 1.28 H new ATOM 0 HB2 ASP A 29 8.567 7.178 -10.293 1.00 1.54 H new ATOM 0 HB3 ASP A 29 9.458 5.883 -9.517 1.00 1.54 H new ATOM 412 N PHE A 30 7.005 4.816 -7.333 1.00 0.72 N ATOM 413 CA PHE A 30 6.818 3.719 -6.396 1.00 0.64 C ATOM 414 C PHE A 30 5.623 2.871 -6.824 1.00 0.53 C ATOM 415 O PHE A 30 5.600 1.661 -6.620 1.00 0.50 O ATOM 416 CB PHE A 30 6.601 4.246 -4.962 1.00 0.64 C ATOM 417 CG PHE A 30 5.355 5.083 -4.778 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.293 6.385 -5.257 1.00 0.76 C ATOM 419 CD2 PHE A 30 4.246 4.565 -4.125 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.153 7.148 -5.088 1.00 0.92 C ATOM 421 CE2 PHE A 30 3.104 5.327 -3.953 1.00 0.87 C ATOM 422 CZ PHE A 30 3.058 6.620 -4.435 1.00 0.92 C ATOM 0 H PHE A 30 6.291 4.863 -8.060 1.00 0.72 H new ATOM 0 HA PHE A 30 7.720 3.106 -6.401 1.00 0.64 H new ATOM 0 HB2 PHE A 30 6.556 3.397 -4.280 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.468 4.841 -4.673 1.00 0.64 H new ATOM 0 HD1 PHE A 30 6.146 6.807 -5.768 1.00 0.76 H new ATOM 0 HD2 PHE A 30 4.274 3.554 -3.746 1.00 0.70 H new ATOM 0 HE1 PHE A 30 4.119 8.159 -5.467 1.00 0.92 H new ATOM 0 HE2 PHE A 30 2.249 4.910 -3.442 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.168 7.216 -4.301 1.00 0.92 H new ATOM 432 N LEU A 31 4.639 3.536 -7.429 1.00 0.50 N ATOM 433 CA LEU A 31 3.375 2.908 -7.813 1.00 0.45 C ATOM 434 C LEU A 31 3.543 1.692 -8.712 1.00 0.41 C ATOM 435 O LEU A 31 2.933 0.653 -8.467 1.00 0.43 O ATOM 436 CB LEU A 31 2.470 3.913 -8.515 1.00 0.52 C ATOM 437 CG LEU A 31 1.766 4.910 -7.606 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.892 5.821 -8.440 1.00 0.78 C ATOM 439 CD2 LEU A 31 0.932 4.193 -6.556 1.00 0.43 C ATOM 0 H LEU A 31 4.696 4.526 -7.667 1.00 0.50 H new ATOM 0 HA LEU A 31 2.925 2.566 -6.881 1.00 0.45 H new ATOM 0 HB2 LEU A 31 3.066 4.467 -9.240 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.714 3.364 -9.077 1.00 0.52 H new ATOM 0 HG LEU A 31 2.518 5.504 -7.087 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.387 6.536 -7.790 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.509 6.358 -9.160 1.00 0.78 H new ATOM 0 HD13 LEU A 31 0.149 5.226 -8.971 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.439 4.927 -5.919 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.180 3.576 -7.048 1.00 0.43 H new ATOM 0 HD23 LEU A 31 1.578 3.561 -5.947 1.00 0.43 H new ATOM 451 N ASP A 32 4.335 1.828 -9.765 1.00 0.41 N ATOM 452 CA ASP A 32 4.398 0.790 -10.788 1.00 0.43 C ATOM 453 C ASP A 32 5.541 -0.183 -10.512 1.00 0.42 C ATOM 454 O ASP A 32 5.755 -1.145 -11.251 1.00 0.51 O ATOM 455 CB ASP A 32 4.539 1.424 -12.173 1.00 0.56 C ATOM 456 CG ASP A 32 4.177 0.464 -13.287 1.00 1.39 C ATOM 457 OD1 ASP A 32 2.967 0.184 -13.465 1.00 2.29 O ATOM 458 OD2 ASP A 32 5.089 -0.005 -13.998 1.00 1.73 O ATOM 0 H ASP A 32 4.936 2.634 -9.935 1.00 0.41 H new ATOM 0 HA ASP A 32 3.469 0.221 -10.761 1.00 0.43 H new ATOM 0 HB2 ASP A 32 3.899 2.304 -12.233 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.565 1.766 -12.310 1.00 0.56 H new ATOM 463 N LEU A 33 6.263 0.065 -9.432 1.00 0.43 N ATOM 464 CA LEU A 33 7.314 -0.838 -8.989 1.00 0.48 C ATOM 465 C LEU A 33 6.729 -1.904 -8.080 1.00 0.42 C ATOM 466 O LEU A 33 5.852 -1.620 -7.262 1.00 0.46 O ATOM 467 CB LEU A 33 8.412 -0.073 -8.250 1.00 0.56 C ATOM 468 CG LEU A 33 9.255 0.858 -9.122 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.253 1.628 -8.268 1.00 1.23 C ATOM 470 CD2 LEU A 33 9.975 0.067 -10.209 1.00 1.01 C ATOM 0 H LEU A 33 6.140 0.888 -8.843 1.00 0.43 H new ATOM 0 HA LEU A 33 7.754 -1.311 -9.867 1.00 0.48 H new ATOM 0 HB2 LEU A 33 7.952 0.516 -7.457 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.074 -0.793 -7.769 1.00 0.56 H new ATOM 0 HG LEU A 33 8.591 1.575 -9.604 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.845 2.286 -8.904 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.717 2.224 -7.529 1.00 1.23 H new ATOM 0 HD13 LEU A 33 10.913 0.926 -7.758 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.570 0.746 -10.820 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.629 -0.673 -9.748 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.242 -0.438 -10.838 1.00 1.01 H new ATOM 482 N ARG A 34 7.198 -3.128 -8.226 1.00 0.40 N ATOM 483 CA ARG A 34 6.729 -4.216 -7.385 1.00 0.39 C ATOM 484 C ARG A 34 7.251 -4.033 -5.968 1.00 0.36 C ATOM 485 O ARG A 34 8.236 -3.326 -5.751 1.00 0.42 O ATOM 486 CB ARG A 34 7.189 -5.558 -7.940 1.00 0.50 C ATOM 487 CG ARG A 34 6.763 -5.820 -9.377 1.00 0.66 C ATOM 488 CD ARG A 34 7.388 -7.104 -9.900 1.00 0.80 C ATOM 489 NE ARG A 34 8.845 -7.080 -9.759 1.00 1.41 N ATOM 490 CZ ARG A 34 9.640 -8.131 -9.944 1.00 1.84 C ATOM 491 NH1 ARG A 34 9.136 -9.295 -10.332 1.00 1.72 N ATOM 492 NH2 ARG A 34 10.948 -8.014 -9.732 1.00 2.88 N ATOM 0 H ARG A 34 7.901 -3.395 -8.916 1.00 0.40 H new ATOM 0 HA ARG A 34 5.639 -4.203 -7.372 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.276 -5.609 -7.881 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.797 -6.354 -7.306 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.677 -5.890 -9.432 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.060 -4.982 -10.008 1.00 0.66 H new ATOM 0 HD2 ARG A 34 6.982 -7.957 -9.356 1.00 0.80 H new ATOM 0 HD3 ARG A 34 7.124 -7.239 -10.949 1.00 0.80 H new ATOM 0 HE ARG A 34 9.282 -6.195 -9.501 1.00 1.41 H new ATOM 0 HH11 ARG A 34 8.133 -9.389 -10.491 1.00 1.72 H new ATOM 0 HH12 ARG A 34 9.752 -10.096 -10.472 1.00 1.72 H new ATOM 0 HH21 ARG A 34 11.338 -7.121 -9.429 1.00 2.88 H new ATOM 0 HH22 ARG A 34 11.561 -8.817 -9.872 1.00 2.88 H new ATOM 506 N PHE A 35 6.589 -4.655 -5.010 1.00 0.36 N ATOM 507 CA PHE A 35 6.971 -4.534 -3.606 1.00 0.39 C ATOM 508 C PHE A 35 8.423 -4.966 -3.379 1.00 0.46 C ATOM 509 O PHE A 35 9.154 -4.335 -2.613 1.00 0.49 O ATOM 510 CB PHE A 35 6.008 -5.331 -2.726 1.00 0.45 C ATOM 511 CG PHE A 35 4.589 -4.860 -2.877 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.181 -3.649 -2.342 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.655 -5.646 -3.529 1.00 0.52 C ATOM 514 CE1 PHE A 35 2.870 -3.231 -2.456 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.341 -5.237 -3.643 1.00 0.59 C ATOM 516 CZ PHE A 35 1.981 -3.952 -3.206 1.00 0.59 C ATOM 0 H PHE A 35 5.779 -5.253 -5.175 1.00 0.36 H new ATOM 0 HA PHE A 35 6.904 -3.483 -3.324 1.00 0.39 H new ATOM 0 HB2 PHE A 35 6.069 -6.388 -2.986 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.311 -5.241 -1.683 1.00 0.45 H new ATOM 0 HD1 PHE A 35 4.897 -3.024 -1.829 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.958 -6.592 -3.954 1.00 0.52 H new ATOM 0 HE1 PHE A 35 2.545 -2.333 -1.952 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.598 -5.898 -4.064 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.016 -3.538 -3.458 1.00 0.59 H new ATOM 526 N GLU A 36 8.835 -6.044 -4.041 1.00 0.59 N ATOM 527 CA GLU A 36 10.227 -6.492 -3.990 1.00 0.76 C ATOM 528 C GLU A 36 11.173 -5.467 -4.623 1.00 0.71 C ATOM 529 O GLU A 36 12.344 -5.388 -4.255 1.00 0.80 O ATOM 530 CB GLU A 36 10.401 -7.848 -4.683 1.00 1.00 C ATOM 531 CG GLU A 36 9.848 -7.897 -6.099 1.00 1.26 C ATOM 532 CD GLU A 36 8.409 -8.362 -6.151 1.00 1.89 C ATOM 533 OE1 GLU A 36 7.529 -7.587 -5.728 1.00 2.60 O ATOM 534 OE2 GLU A 36 8.154 -9.489 -6.620 1.00 2.28 O ATOM 0 H GLU A 36 8.227 -6.624 -4.619 1.00 0.59 H new ATOM 0 HA GLU A 36 10.485 -6.598 -2.936 1.00 0.76 H new ATOM 0 HB2 GLU A 36 11.462 -8.097 -4.710 1.00 1.00 H new ATOM 0 HB3 GLU A 36 9.909 -8.615 -4.085 1.00 1.00 H new ATOM 0 HG2 GLU A 36 9.921 -6.906 -6.547 1.00 1.26 H new ATOM 0 HG3 GLU A 36 10.463 -8.566 -6.701 1.00 1.26 H new ATOM 541 N ASP A 37 10.657 -4.668 -5.557 1.00 0.65 N ATOM 542 CA ASP A 37 11.489 -3.719 -6.296 1.00 0.74 C ATOM 543 C ASP A 37 11.693 -2.456 -5.479 1.00 0.66 C ATOM 544 O ASP A 37 12.708 -1.773 -5.613 1.00 0.75 O ATOM 545 CB ASP A 37 10.862 -3.345 -7.650 1.00 0.86 C ATOM 546 CG ASP A 37 10.772 -4.503 -8.629 1.00 1.28 C ATOM 547 OD1 ASP A 37 11.716 -5.315 -8.673 1.00 1.38 O ATOM 548 OD2 ASP A 37 9.757 -4.624 -9.348 1.00 2.03 O ATOM 0 H ASP A 37 9.671 -4.659 -5.819 1.00 0.65 H new ATOM 0 HA ASP A 37 12.447 -4.204 -6.482 1.00 0.74 H new ATOM 0 HB2 ASP A 37 9.861 -2.949 -7.478 1.00 0.86 H new ATOM 0 HB3 ASP A 37 11.448 -2.545 -8.102 1.00 0.86 H new ATOM 553 N ILE A 38 10.722 -2.145 -4.628 1.00 0.54 N ATOM 554 CA ILE A 38 10.841 -0.994 -3.743 1.00 0.54 C ATOM 555 C ILE A 38 11.480 -1.389 -2.413 1.00 0.50 C ATOM 556 O ILE A 38 11.619 -0.565 -1.512 1.00 0.55 O ATOM 557 CB ILE A 38 9.486 -0.294 -3.492 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.441 -1.294 -2.990 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.006 0.390 -4.761 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.083 -0.679 -2.715 1.00 0.57 C ATOM 0 H ILE A 38 9.852 -2.668 -4.533 1.00 0.54 H new ATOM 0 HA ILE A 38 11.488 -0.280 -4.253 1.00 0.54 H new ATOM 0 HB ILE A 38 9.626 0.462 -2.720 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.327 -2.087 -3.729 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.809 -1.761 -2.076 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.051 0.879 -4.571 1.00 0.67 H new ATOM 0 HG22 ILE A 38 9.739 1.134 -5.073 1.00 0.67 H new ATOM 0 HG23 ILE A 38 8.883 -0.352 -5.550 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.399 -1.451 -2.363 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.181 0.094 -1.953 1.00 0.57 H new ATOM 0 HD13 ILE A 38 6.691 -0.237 -3.631 1.00 0.57 H new ATOM 572 N GLY A 39 11.881 -2.655 -2.312 1.00 0.53 N ATOM 573 CA GLY A 39 12.631 -3.118 -1.158 1.00 0.58 C ATOM 574 C GLY A 39 11.805 -3.238 0.111 1.00 0.51 C ATOM 575 O GLY A 39 12.211 -2.746 1.162 1.00 0.62 O ATOM 0 H GLY A 39 11.698 -3.371 -3.014 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.067 -4.090 -1.388 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.458 -2.432 -0.977 1.00 0.58 H new ATOM 579 N TYR A 40 10.653 -3.893 0.031 1.00 0.47 N ATOM 580 CA TYR A 40 9.831 -4.102 1.217 1.00 0.47 C ATOM 581 C TYR A 40 9.646 -5.584 1.514 1.00 0.55 C ATOM 582 O TYR A 40 9.175 -6.348 0.671 1.00 0.71 O ATOM 583 CB TYR A 40 8.479 -3.396 1.079 1.00 0.47 C ATOM 584 CG TYR A 40 8.565 -1.922 1.409 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.973 -1.003 0.450 1.00 0.48 C ATOM 586 CD2 TYR A 40 8.205 -1.448 2.662 1.00 0.49 C ATOM 587 CE1 TYR A 40 9.024 0.348 0.737 1.00 0.52 C ATOM 588 CE2 TYR A 40 8.258 -0.100 2.959 1.00 0.53 C ATOM 589 CZ TYR A 40 8.779 0.778 2.039 1.00 0.53 C ATOM 590 OH TYR A 40 8.704 2.141 2.281 1.00 0.61 O ATOM 0 H TYR A 40 10.271 -4.284 -0.830 1.00 0.47 H new ATOM 0 HA TYR A 40 10.357 -3.661 2.064 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.111 -3.517 0.060 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.754 -3.872 1.739 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.254 -1.349 -0.534 1.00 0.48 H new ATOM 0 HD2 TYR A 40 7.877 -2.145 3.419 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.251 1.063 -0.040 1.00 0.52 H new ATOM 0 HE2 TYR A 40 7.892 0.262 3.909 1.00 0.53 H new ATOM 0 HH TYR A 40 8.527 2.295 3.233 1.00 0.61 H new ATOM 600 N ASP A 41 10.040 -5.975 2.724 1.00 0.58 N ATOM 601 CA ASP A 41 9.943 -7.364 3.176 1.00 0.71 C ATOM 602 C ASP A 41 8.497 -7.763 3.434 1.00 0.66 C ATOM 603 O ASP A 41 7.613 -6.910 3.519 1.00 0.93 O ATOM 604 CB ASP A 41 10.740 -7.568 4.470 1.00 0.89 C ATOM 605 CG ASP A 41 12.226 -7.340 4.303 1.00 1.40 C ATOM 606 OD1 ASP A 41 12.681 -6.190 4.483 1.00 1.93 O ATOM 607 OD2 ASP A 41 12.944 -8.303 3.962 1.00 1.82 O ATOM 0 H ASP A 41 10.435 -5.341 3.418 1.00 0.58 H new ATOM 0 HA ASP A 41 10.353 -7.988 2.382 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.359 -6.889 5.233 1.00 0.89 H new ATOM 0 HB3 ASP A 41 10.574 -8.582 4.834 1.00 0.89 H new ATOM 612 N SER A 42 8.272 -9.065 3.578 1.00 0.63 N ATOM 613 CA SER A 42 6.959 -9.598 3.924 1.00 0.63 C ATOM 614 C SER A 42 6.419 -8.937 5.194 1.00 0.54 C ATOM 615 O SER A 42 5.290 -8.442 5.227 1.00 0.50 O ATOM 616 CB SER A 42 7.068 -11.109 4.129 1.00 0.77 C ATOM 617 OG SER A 42 8.125 -11.396 5.097 1.00 0.91 O ATOM 0 H SER A 42 8.992 -9.778 3.459 1.00 0.63 H new ATOM 0 HA SER A 42 6.266 -9.384 3.110 1.00 0.63 H new ATOM 0 HB2 SER A 42 6.118 -11.508 4.484 1.00 0.77 H new ATOM 0 HB3 SER A 42 7.286 -11.600 3.181 1.00 0.77 H new ATOM 622 N LEU A 43 7.248 -8.938 6.235 1.00 0.57 N ATOM 623 CA LEU A 43 6.889 -8.360 7.524 1.00 0.57 C ATOM 624 C LEU A 43 6.560 -6.875 7.397 1.00 0.48 C ATOM 625 O LEU A 43 5.631 -6.383 8.027 1.00 0.49 O ATOM 626 CB LEU A 43 8.027 -8.558 8.520 1.00 0.68 C ATOM 627 CG LEU A 43 7.705 -8.138 9.954 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.482 -8.879 10.476 1.00 0.90 C ATOM 629 CD2 LEU A 43 8.901 -8.399 10.843 1.00 1.32 C ATOM 0 H LEU A 43 8.185 -9.339 6.207 1.00 0.57 H new ATOM 0 HA LEU A 43 5.997 -8.873 7.885 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.312 -9.610 8.520 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.894 -7.993 8.177 1.00 0.68 H new ATOM 0 HG LEU A 43 7.479 -7.072 9.963 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.274 -8.563 11.498 1.00 0.90 H new ATOM 0 HD12 LEU A 43 5.623 -8.654 9.844 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.673 -9.952 10.460 1.00 0.90 H new ATOM 0 HD21 LEU A 43 8.668 -8.098 11.864 1.00 1.32 H new ATOM 0 HD22 LEU A 43 9.144 -9.461 10.824 1.00 1.32 H new ATOM 0 HD23 LEU A 43 9.755 -7.825 10.482 1.00 1.32 H new ATOM 641 N ALA A 44 7.330 -6.168 6.584 1.00 0.44 N ATOM 642 CA ALA A 44 7.093 -4.751 6.354 1.00 0.41 C ATOM 643 C ALA A 44 5.771 -4.540 5.625 1.00 0.34 C ATOM 644 O ALA A 44 4.994 -3.648 5.962 1.00 0.36 O ATOM 645 CB ALA A 44 8.242 -4.152 5.558 1.00 0.47 C ATOM 0 H ALA A 44 8.124 -6.552 6.072 1.00 0.44 H new ATOM 0 HA ALA A 44 7.034 -4.246 7.318 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.055 -3.091 5.391 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.172 -4.274 6.114 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.324 -4.661 4.598 1.00 0.47 H new ATOM 651 N LEU A 45 5.517 -5.396 4.642 1.00 0.35 N ATOM 652 CA LEU A 45 4.344 -5.279 3.786 1.00 0.35 C ATOM 653 C LEU A 45 3.042 -5.452 4.572 1.00 0.34 C ATOM 654 O LEU A 45 2.059 -4.752 4.315 1.00 0.36 O ATOM 655 CB LEU A 45 4.421 -6.312 2.657 1.00 0.43 C ATOM 656 CG LEU A 45 3.254 -6.292 1.667 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.171 -4.943 0.971 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.392 -7.411 0.645 1.00 0.74 C ATOM 0 H LEU A 45 6.118 -6.189 4.417 1.00 0.35 H new ATOM 0 HA LEU A 45 4.338 -4.274 3.364 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.347 -6.152 2.104 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.482 -7.306 3.101 1.00 0.43 H new ATOM 0 HG LEU A 45 2.331 -6.453 2.225 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.336 -4.946 0.270 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.019 -4.159 1.713 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.098 -4.755 0.429 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.551 -7.377 -0.048 1.00 0.74 H new ATOM 0 HD22 LEU A 45 4.323 -7.286 0.092 1.00 0.74 H new ATOM 0 HD23 LEU A 45 3.401 -8.373 1.158 1.00 0.74 H new ATOM 670 N MET A 46 3.030 -6.377 5.529 1.00 0.36 N ATOM 671 CA MET A 46 1.825 -6.618 6.322 1.00 0.40 C ATOM 672 C MET A 46 1.537 -5.432 7.242 1.00 0.37 C ATOM 673 O MET A 46 0.376 -5.115 7.513 1.00 0.41 O ATOM 674 CB MET A 46 1.924 -7.940 7.107 1.00 0.49 C ATOM 675 CG MET A 46 3.053 -8.011 8.128 1.00 0.52 C ATOM 676 SD MET A 46 2.614 -7.279 9.720 1.00 1.21 S ATOM 677 CE MET A 46 1.229 -8.311 10.196 1.00 1.26 C ATOM 0 H MET A 46 3.827 -6.964 5.773 1.00 0.36 H new ATOM 0 HA MET A 46 0.983 -6.718 5.637 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.979 -8.108 7.623 1.00 0.49 H new ATOM 0 HB3 MET A 46 2.048 -8.757 6.396 1.00 0.49 H new ATOM 0 HG2 MET A 46 3.334 -9.053 8.279 1.00 0.52 H new ATOM 0 HG3 MET A 46 3.929 -7.500 7.729 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.303 -8.553 11.256 1.00 1.26 H new ATOM 0 HE2 MET A 46 0.297 -7.778 10.010 1.00 1.26 H new ATOM 0 HE3 MET A 46 1.243 -9.231 9.612 1.00 1.26 H new ATOM 687 N GLU A 47 2.592 -4.764 7.701 1.00 0.37 N ATOM 688 CA GLU A 47 2.435 -3.533 8.464 1.00 0.42 C ATOM 689 C GLU A 47 1.870 -2.427 7.586 1.00 0.41 C ATOM 690 O GLU A 47 1.031 -1.642 8.029 1.00 0.47 O ATOM 691 CB GLU A 47 3.764 -3.095 9.079 1.00 0.48 C ATOM 692 CG GLU A 47 4.100 -3.822 10.369 1.00 0.62 C ATOM 693 CD GLU A 47 3.082 -3.556 11.461 1.00 1.21 C ATOM 694 OE1 GLU A 47 3.102 -2.454 12.045 1.00 1.18 O ATOM 695 OE2 GLU A 47 2.251 -4.445 11.745 1.00 2.20 O ATOM 0 H GLU A 47 3.559 -5.054 7.558 1.00 0.37 H new ATOM 0 HA GLU A 47 1.733 -3.729 9.274 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.563 -3.263 8.357 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.730 -2.023 9.273 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.152 -4.894 10.177 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.087 -3.512 10.712 1.00 0.62 H new ATOM 702 N THR A 48 2.325 -2.380 6.335 1.00 0.37 N ATOM 703 CA THR A 48 1.824 -1.411 5.364 1.00 0.42 C ATOM 704 C THR A 48 0.309 -1.547 5.192 1.00 0.40 C ATOM 705 O THR A 48 -0.406 -0.545 5.098 1.00 0.43 O ATOM 706 CB THR A 48 2.510 -1.592 3.996 1.00 0.45 C ATOM 707 OG1 THR A 48 3.931 -1.587 4.162 1.00 0.47 O ATOM 708 CG2 THR A 48 2.110 -0.482 3.034 1.00 0.54 C ATOM 0 H THR A 48 3.043 -3.005 5.970 1.00 0.37 H new ATOM 0 HA THR A 48 2.054 -0.417 5.747 1.00 0.42 H new ATOM 0 HB THR A 48 2.190 -2.547 3.578 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.174 -0.964 4.878 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.608 -0.634 2.076 1.00 0.54 H new ATOM 0 HG22 THR A 48 1.030 -0.499 2.888 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.405 0.482 3.448 1.00 0.54 H new ATOM 716 N ALA A 49 -0.166 -2.791 5.153 1.00 0.40 N ATOM 717 CA ALA A 49 -1.595 -3.073 5.075 1.00 0.39 C ATOM 718 C ALA A 49 -2.328 -2.431 6.246 1.00 0.34 C ATOM 719 O ALA A 49 -3.318 -1.720 6.062 1.00 0.33 O ATOM 720 CB ALA A 49 -1.841 -4.579 5.056 1.00 0.46 C ATOM 0 H ALA A 49 0.424 -3.623 5.174 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.981 -2.647 4.149 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.912 -4.772 4.998 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.346 -5.018 4.190 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.441 -5.024 5.967 1.00 0.46 H new ATOM 726 N ALA A 50 -1.801 -2.659 7.449 1.00 0.37 N ATOM 727 CA ALA A 50 -2.409 -2.154 8.675 1.00 0.40 C ATOM 728 C ALA A 50 -2.454 -0.632 8.675 1.00 0.39 C ATOM 729 O ALA A 50 -3.379 -0.023 9.217 1.00 0.44 O ATOM 730 CB ALA A 50 -1.649 -2.666 9.889 1.00 0.49 C ATOM 0 H ALA A 50 -0.946 -3.195 7.598 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.434 -2.520 8.724 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.113 -2.282 10.797 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.675 -3.756 9.901 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.614 -2.328 9.839 1.00 0.49 H new ATOM 736 N ARG A 51 -1.444 -0.031 8.058 1.00 0.37 N ATOM 737 CA ARG A 51 -1.360 1.418 7.933 1.00 0.44 C ATOM 738 C ARG A 51 -2.594 1.967 7.221 1.00 0.40 C ATOM 739 O ARG A 51 -3.194 2.949 7.660 1.00 0.52 O ATOM 740 CB ARG A 51 -0.110 1.814 7.142 1.00 0.52 C ATOM 741 CG ARG A 51 1.216 1.397 7.768 1.00 0.68 C ATOM 742 CD ARG A 51 1.527 2.162 9.047 1.00 0.95 C ATOM 743 NE ARG A 51 0.764 1.670 10.192 1.00 1.47 N ATOM 744 CZ ARG A 51 0.288 2.451 11.162 1.00 1.90 C ATOM 745 NH1 ARG A 51 0.499 3.762 11.138 1.00 1.94 N ATOM 746 NH2 ARG A 51 -0.386 1.909 12.169 1.00 2.86 N ATOM 0 H ARG A 51 -0.664 -0.532 7.632 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.304 1.839 8.937 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.176 1.376 6.146 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.108 2.897 7.015 1.00 0.52 H new ATOM 0 HG2 ARG A 51 1.191 0.329 7.985 1.00 0.68 H new ATOM 0 HG3 ARG A 51 2.019 1.557 7.049 1.00 0.68 H new ATOM 0 HD2 ARG A 51 2.592 2.084 9.264 1.00 0.95 H new ATOM 0 HD3 ARG A 51 1.309 3.219 8.896 1.00 0.95 H new ATOM 0 HE ARG A 51 0.585 0.668 10.253 1.00 1.47 H new ATOM 0 HH11 ARG A 51 1.029 4.179 10.373 1.00 1.94 H new ATOM 0 HH12 ARG A 51 0.131 4.352 11.885 1.00 1.94 H new ATOM 0 HH21 ARG A 51 -0.537 0.901 12.197 1.00 2.86 H new ATOM 0 HH22 ARG A 51 -0.753 2.501 12.914 1.00 2.86 H new ATOM 760 N LEU A 52 -2.978 1.309 6.133 1.00 0.32 N ATOM 761 CA LEU A 52 -4.095 1.760 5.312 1.00 0.31 C ATOM 762 C LEU A 52 -5.431 1.460 5.990 1.00 0.27 C ATOM 763 O LEU A 52 -6.319 2.320 6.045 1.00 0.30 O ATOM 764 CB LEU A 52 -4.040 1.088 3.938 1.00 0.35 C ATOM 765 CG LEU A 52 -2.726 1.286 3.178 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.735 0.503 1.876 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.484 2.766 2.912 1.00 0.56 C ATOM 0 H LEU A 52 -2.529 0.457 5.798 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.012 2.840 5.187 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.212 0.019 4.065 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.858 1.473 3.328 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.911 0.908 3.796 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.792 0.658 1.352 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.861 -0.558 2.091 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.559 0.847 1.250 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.546 2.890 2.371 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.303 3.167 2.315 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.430 3.302 3.860 1.00 0.56 H new ATOM 779 N GLU A 53 -5.559 0.240 6.508 1.00 0.25 N ATOM 780 CA GLU A 53 -6.772 -0.195 7.192 1.00 0.26 C ATOM 781 C GLU A 53 -7.110 0.739 8.350 1.00 0.30 C ATOM 782 O GLU A 53 -8.237 1.214 8.466 1.00 0.36 O ATOM 783 CB GLU A 53 -6.605 -1.617 7.730 1.00 0.27 C ATOM 784 CG GLU A 53 -6.239 -2.642 6.670 1.00 0.32 C ATOM 785 CD GLU A 53 -6.161 -4.052 7.234 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.293 -4.305 8.099 1.00 0.51 O ATOM 787 OE2 GLU A 53 -6.977 -4.906 6.826 1.00 0.48 O ATOM 0 H GLU A 53 -4.828 -0.470 6.465 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.585 -0.173 6.466 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.833 -1.615 8.500 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.534 -1.923 8.211 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -6.978 -2.614 5.870 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.279 -2.377 6.227 1.00 0.32 H new ATOM 794 N SER A 54 -6.114 1.012 9.187 1.00 0.36 N ATOM 795 CA SER A 54 -6.307 1.828 10.380 1.00 0.46 C ATOM 796 C SER A 54 -6.713 3.260 10.021 1.00 0.43 C ATOM 797 O SER A 54 -7.525 3.873 10.710 1.00 0.53 O ATOM 798 CB SER A 54 -5.020 1.839 11.218 1.00 0.59 C ATOM 799 OG SER A 54 -5.186 2.572 12.424 1.00 1.42 O ATOM 0 H SER A 54 -5.159 0.677 9.059 1.00 0.36 H new ATOM 0 HA SER A 54 -7.117 1.388 10.962 1.00 0.46 H new ATOM 0 HB2 SER A 54 -4.729 0.815 11.451 1.00 0.59 H new ATOM 0 HB3 SER A 54 -4.209 2.276 10.635 1.00 0.59 H new ATOM 0 HG SER A 54 -4.349 2.557 12.934 1.00 1.42 H new ATOM 805 N ARG A 55 -6.163 3.779 8.930 1.00 0.37 N ATOM 806 CA ARG A 55 -6.393 5.170 8.557 1.00 0.40 C ATOM 807 C ARG A 55 -7.775 5.372 7.938 1.00 0.40 C ATOM 808 O ARG A 55 -8.529 6.247 8.358 1.00 0.47 O ATOM 809 CB ARG A 55 -5.302 5.650 7.596 1.00 0.47 C ATOM 810 CG ARG A 55 -5.419 7.120 7.217 1.00 0.66 C ATOM 811 CD ARG A 55 -4.145 7.618 6.555 1.00 0.87 C ATOM 812 NE ARG A 55 -3.005 7.533 7.466 1.00 1.14 N ATOM 813 CZ ARG A 55 -1.735 7.411 7.081 1.00 1.64 C ATOM 814 NH1 ARG A 55 -1.405 7.439 5.794 1.00 1.89 N ATOM 815 NH2 ARG A 55 -0.792 7.286 8.000 1.00 2.42 N ATOM 0 H ARG A 55 -5.558 3.262 8.292 1.00 0.37 H new ATOM 0 HA ARG A 55 -6.353 5.766 9.469 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.327 5.479 8.053 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.339 5.047 6.689 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.262 7.258 6.540 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -5.625 7.713 8.108 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -3.943 7.029 5.660 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.280 8.651 6.233 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.195 7.570 8.467 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.128 7.555 5.084 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -0.428 7.344 5.516 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -1.041 7.284 8.989 1.00 2.42 H new ATOM 0 HH22 ARG A 55 0.184 7.192 7.720 1.00 2.42 H new ATOM 829 N TYR A 56 -8.118 4.548 6.960 1.00 0.38 N ATOM 830 CA TYR A 56 -9.349 4.750 6.198 1.00 0.46 C ATOM 831 C TYR A 56 -10.521 3.967 6.777 1.00 0.51 C ATOM 832 O TYR A 56 -11.642 4.057 6.275 1.00 0.71 O ATOM 833 CB TYR A 56 -9.132 4.355 4.739 1.00 0.52 C ATOM 834 CG TYR A 56 -8.208 5.286 3.997 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.671 6.482 3.465 1.00 0.70 C ATOM 836 CD2 TYR A 56 -6.870 4.970 3.837 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.821 7.334 2.788 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.013 5.816 3.166 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.523 7.008 2.618 1.00 0.91 C ATOM 840 OH TYR A 56 -5.635 7.849 1.990 1.00 1.08 O ATOM 0 H TYR A 56 -7.569 3.738 6.674 1.00 0.38 H new ATOM 0 HA TYR A 56 -9.599 5.809 6.261 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -8.725 3.345 4.701 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.096 4.330 4.230 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.711 6.750 3.582 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -6.491 4.045 4.245 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -8.197 8.266 2.393 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.967 5.568 3.062 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.644 8.724 2.432 1.00 1.08 H new ATOM 850 N GLY A 57 -10.268 3.207 7.831 1.00 0.41 N ATOM 851 CA GLY A 57 -11.317 2.392 8.413 1.00 0.46 C ATOM 852 C GLY A 57 -11.722 1.264 7.488 1.00 0.43 C ATOM 853 O GLY A 57 -12.894 0.883 7.421 1.00 0.58 O ATOM 0 H GLY A 57 -9.361 3.139 8.293 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.975 1.980 9.362 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.185 3.015 8.630 1.00 0.46 H new ATOM 857 N VAL A 58 -10.745 0.741 6.760 1.00 0.32 N ATOM 858 CA VAL A 58 -10.980 -0.339 5.814 1.00 0.33 C ATOM 859 C VAL A 58 -10.318 -1.622 6.294 1.00 0.33 C ATOM 860 O VAL A 58 -9.862 -1.705 7.431 1.00 0.34 O ATOM 861 CB VAL A 58 -10.448 -0.004 4.400 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.184 1.183 3.808 1.00 0.45 C ATOM 863 CG2 VAL A 58 -8.950 0.258 4.427 1.00 0.30 C ATOM 0 H VAL A 58 -9.774 1.051 6.808 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.060 -0.472 5.754 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.631 -0.871 3.765 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.790 1.397 2.814 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.247 0.953 3.735 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -11.045 2.054 4.448 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.603 0.491 3.420 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.740 1.100 5.087 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.432 -0.628 4.793 1.00 0.30 H new ATOM 873 N SER A 59 -10.270 -2.611 5.422 1.00 0.39 N ATOM 874 CA SER A 59 -9.561 -3.839 5.700 1.00 0.49 C ATOM 875 C SER A 59 -9.216 -4.512 4.382 1.00 0.48 C ATOM 876 O SER A 59 -10.029 -4.530 3.454 1.00 0.51 O ATOM 877 CB SER A 59 -10.397 -4.772 6.584 1.00 0.65 C ATOM 878 OG SER A 59 -9.603 -5.810 7.134 1.00 1.62 O ATOM 0 H SER A 59 -10.720 -2.584 4.507 1.00 0.39 H new ATOM 0 HA SER A 59 -8.646 -3.611 6.247 1.00 0.49 H new ATOM 0 HB2 SER A 59 -10.857 -4.198 7.388 1.00 0.65 H new ATOM 0 HB3 SER A 59 -11.207 -5.204 5.996 1.00 0.65 H new ATOM 0 HG SER A 59 -8.655 -5.577 7.049 1.00 1.62 H new ATOM 884 N ILE A 60 -8.007 -5.036 4.294 1.00 0.46 N ATOM 885 CA ILE A 60 -7.543 -5.684 3.082 1.00 0.46 C ATOM 886 C ILE A 60 -7.761 -7.191 3.175 1.00 0.54 C ATOM 887 O ILE A 60 -7.136 -7.862 3.997 1.00 0.60 O ATOM 888 CB ILE A 60 -6.049 -5.387 2.821 1.00 0.44 C ATOM 889 CG1 ILE A 60 -5.816 -3.873 2.744 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.586 -6.065 1.534 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.365 -3.485 2.552 1.00 0.45 C ATOM 0 H ILE A 60 -7.325 -5.025 5.053 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.120 -5.284 2.248 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.464 -5.788 3.649 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.403 -3.466 1.920 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.188 -3.411 3.659 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.532 -5.845 1.366 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.722 -7.143 1.621 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.173 -5.692 0.695 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.282 -2.399 2.507 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -3.774 -3.860 3.388 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -3.993 -3.916 1.623 1.00 0.45 H new ATOM 903 N PRO A 61 -8.671 -7.737 2.352 1.00 0.59 N ATOM 904 CA PRO A 61 -8.952 -9.171 2.345 1.00 0.69 C ATOM 905 C PRO A 61 -7.714 -9.981 1.977 1.00 0.62 C ATOM 906 O PRO A 61 -7.190 -9.857 0.868 1.00 0.57 O ATOM 907 CB PRO A 61 -10.035 -9.333 1.271 1.00 0.81 C ATOM 908 CG PRO A 61 -10.605 -7.969 1.078 1.00 0.79 C ATOM 909 CD PRO A 61 -9.487 -7.008 1.368 1.00 0.62 C ATOM 0 HA PRO A 61 -9.264 -9.531 3.325 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.614 -9.718 0.342 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.802 -10.039 1.590 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.975 -7.841 0.061 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.448 -7.800 1.748 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.918 -6.768 0.470 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.859 -6.066 1.771 1.00 0.62 H new ATOM 917 N ASP A 62 -7.266 -10.818 2.906 1.00 0.76 N ATOM 918 CA ASP A 62 -6.035 -11.589 2.742 1.00 0.82 C ATOM 919 C ASP A 62 -6.145 -12.637 1.634 1.00 0.67 C ATOM 920 O ASP A 62 -5.155 -13.270 1.268 1.00 0.77 O ATOM 921 CB ASP A 62 -5.602 -12.235 4.070 1.00 1.11 C ATOM 922 CG ASP A 62 -6.680 -13.054 4.770 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.869 -12.949 4.410 1.00 1.99 O ATOM 924 OD2 ASP A 62 -6.335 -13.781 5.728 1.00 1.96 O ATOM 0 H ASP A 62 -7.743 -10.982 3.792 1.00 0.76 H new ATOM 0 HA ASP A 62 -5.262 -10.884 2.436 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -4.743 -12.879 3.880 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -5.267 -11.449 4.747 1.00 1.11 H new ATOM 929 N ASP A 63 -7.340 -12.801 1.088 1.00 0.66 N ATOM 930 CA ASP A 63 -7.540 -13.686 -0.055 1.00 0.71 C ATOM 931 C ASP A 63 -7.073 -13.009 -1.338 1.00 0.58 C ATOM 932 O ASP A 63 -6.226 -13.528 -2.058 1.00 0.62 O ATOM 933 CB ASP A 63 -9.013 -14.080 -0.204 1.00 0.96 C ATOM 934 CG ASP A 63 -9.479 -15.047 0.859 1.00 1.67 C ATOM 935 OD1 ASP A 63 -9.065 -16.220 0.820 1.00 2.03 O ATOM 936 OD2 ASP A 63 -10.235 -14.625 1.758 1.00 2.44 O ATOM 0 H ASP A 63 -8.186 -12.335 1.415 1.00 0.66 H new ATOM 0 HA ASP A 63 -6.952 -14.587 0.122 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -9.629 -13.182 -0.164 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -9.165 -14.528 -1.186 1.00 0.96 H new ATOM 941 N VAL A 64 -7.637 -11.843 -1.618 1.00 0.57 N ATOM 942 CA VAL A 64 -7.300 -11.099 -2.826 1.00 0.58 C ATOM 943 C VAL A 64 -5.968 -10.355 -2.659 1.00 0.53 C ATOM 944 O VAL A 64 -5.374 -9.888 -3.630 1.00 0.59 O ATOM 945 CB VAL A 64 -8.425 -10.103 -3.205 1.00 0.73 C ATOM 946 CG1 VAL A 64 -8.207 -9.527 -4.597 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.788 -10.777 -3.116 1.00 1.14 C ATOM 0 H VAL A 64 -8.332 -11.390 -1.024 1.00 0.57 H new ATOM 0 HA VAL A 64 -7.196 -11.821 -3.636 1.00 0.58 H new ATOM 0 HB VAL A 64 -8.395 -9.279 -2.492 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -9.013 -8.832 -4.833 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.253 -9.001 -4.628 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -8.199 -10.335 -5.328 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.566 -10.062 -3.386 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.820 -11.624 -3.801 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.955 -11.128 -2.097 1.00 1.14 H new ATOM 957 N ALA A 65 -5.490 -10.283 -1.421 1.00 0.52 N ATOM 958 CA ALA A 65 -4.250 -9.576 -1.107 1.00 0.58 C ATOM 959 C ALA A 65 -3.052 -10.196 -1.812 1.00 0.56 C ATOM 960 O ALA A 65 -2.176 -9.489 -2.296 1.00 0.68 O ATOM 961 CB ALA A 65 -4.021 -9.551 0.394 1.00 0.67 C ATOM 0 H ALA A 65 -5.945 -10.708 -0.613 1.00 0.52 H new ATOM 0 HA ALA A 65 -4.355 -8.554 -1.470 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -3.094 -9.021 0.612 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.853 -9.042 0.881 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.952 -10.572 0.769 1.00 0.67 H new ATOM 967 N GLY A 66 -3.035 -11.515 -1.889 1.00 0.50 N ATOM 968 CA GLY A 66 -1.930 -12.207 -2.531 1.00 0.56 C ATOM 969 C GLY A 66 -2.091 -12.267 -4.039 1.00 0.58 C ATOM 970 O GLY A 66 -1.769 -13.275 -4.670 1.00 0.77 O ATOM 0 H GLY A 66 -3.765 -12.124 -1.519 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.996 -11.702 -2.287 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.858 -13.220 -2.134 1.00 0.56 H new ATOM 974 N ARG A 67 -2.603 -11.182 -4.610 1.00 0.55 N ATOM 975 CA ARG A 67 -2.855 -11.093 -6.044 1.00 0.63 C ATOM 976 C ARG A 67 -2.591 -9.675 -6.541 1.00 0.58 C ATOM 977 O ARG A 67 -3.218 -9.212 -7.496 1.00 0.78 O ATOM 978 CB ARG A 67 -4.300 -11.495 -6.351 1.00 0.77 C ATOM 979 CG ARG A 67 -4.572 -12.981 -6.179 1.00 0.93 C ATOM 980 CD ARG A 67 -6.060 -13.281 -6.206 1.00 1.10 C ATOM 981 NE ARG A 67 -6.697 -12.784 -7.423 1.00 1.82 N ATOM 982 CZ ARG A 67 -8.010 -12.648 -7.568 1.00 2.63 C ATOM 983 NH1 ARG A 67 -8.821 -13.006 -6.585 1.00 2.86 N ATOM 984 NH2 ARG A 67 -8.508 -12.173 -8.702 1.00 3.63 N ATOM 0 H ARG A 67 -2.855 -10.340 -4.092 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.180 -11.777 -6.559 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.970 -10.934 -5.699 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.538 -11.208 -7.375 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -4.073 -13.537 -6.972 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -4.148 -13.323 -5.235 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -6.214 -14.357 -6.130 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -6.537 -12.828 -5.337 1.00 1.10 H new ATOM 0 HE ARG A 67 -6.098 -12.526 -8.207 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -8.437 -13.385 -5.719 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -9.830 -12.903 -6.693 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -7.882 -11.912 -9.464 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -9.517 -12.069 -8.812 1.00 3.63 H new ATOM 998 N VAL A 68 -1.649 -8.997 -5.901 1.00 0.50 N ATOM 999 CA VAL A 68 -1.315 -7.625 -6.256 1.00 0.48 C ATOM 1000 C VAL A 68 0.198 -7.461 -6.366 1.00 0.54 C ATOM 1001 O VAL A 68 0.943 -7.823 -5.453 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.896 -6.622 -5.226 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -1.382 -6.885 -3.813 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.605 -5.193 -5.648 1.00 0.89 C ATOM 0 H VAL A 68 -1.100 -9.377 -5.130 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.764 -7.407 -7.225 1.00 0.48 H new ATOM 0 HB VAL A 68 -2.976 -6.768 -5.206 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -1.816 -6.158 -3.127 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -1.666 -7.891 -3.504 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -0.296 -6.794 -3.798 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -2.021 -4.505 -4.912 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -0.527 -5.046 -5.714 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -2.058 -5.001 -6.621 1.00 0.89 H new ATOM 1014 N ASP A 69 0.650 -6.953 -7.504 1.00 0.38 N ATOM 1015 CA ASP A 69 2.077 -6.809 -7.761 1.00 0.43 C ATOM 1016 C ASP A 69 2.572 -5.423 -7.384 1.00 0.34 C ATOM 1017 O ASP A 69 3.638 -5.273 -6.782 1.00 0.41 O ATOM 1018 CB ASP A 69 2.392 -7.050 -9.239 1.00 0.65 C ATOM 1019 CG ASP A 69 2.227 -8.493 -9.675 1.00 0.97 C ATOM 1020 OD1 ASP A 69 1.077 -8.934 -9.870 1.00 1.65 O ATOM 1021 OD2 ASP A 69 3.253 -9.171 -9.888 1.00 1.75 O ATOM 0 H ASP A 69 0.050 -6.634 -8.264 1.00 0.38 H new ATOM 0 HA ASP A 69 2.585 -7.553 -7.147 1.00 0.43 H new ATOM 0 HB2 ASP A 69 1.742 -6.421 -9.846 1.00 0.65 H new ATOM 0 HB3 ASP A 69 3.416 -6.735 -9.438 1.00 0.65 H new ATOM 1026 N THR A 70 1.802 -4.407 -7.741 1.00 0.34 N ATOM 1027 CA THR A 70 2.248 -3.033 -7.570 1.00 0.31 C ATOM 1028 C THR A 70 1.243 -2.199 -6.773 1.00 0.28 C ATOM 1029 O THR A 70 0.038 -2.463 -6.798 1.00 0.28 O ATOM 1030 CB THR A 70 2.501 -2.363 -8.943 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.307 -2.383 -9.735 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.615 -3.069 -9.701 1.00 0.44 C ATOM 0 H THR A 70 0.872 -4.506 -8.148 1.00 0.34 H new ATOM 0 HA THR A 70 3.180 -3.072 -7.007 1.00 0.31 H new ATOM 0 HB THR A 70 2.800 -1.332 -8.757 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.193 -3.272 -10.132 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.770 -2.577 -10.661 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.535 -3.027 -9.118 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.339 -4.110 -9.868 1.00 0.44 H new ATOM 1040 N PRO A 71 1.747 -1.196 -6.027 1.00 0.29 N ATOM 1041 CA PRO A 71 0.919 -0.219 -5.305 1.00 0.29 C ATOM 1042 C PRO A 71 -0.201 0.360 -6.163 1.00 0.27 C ATOM 1043 O PRO A 71 -1.310 0.581 -5.680 1.00 0.28 O ATOM 1044 CB PRO A 71 1.925 0.875 -4.952 1.00 0.34 C ATOM 1045 CG PRO A 71 3.200 0.138 -4.763 1.00 0.38 C ATOM 1046 CD PRO A 71 3.184 -0.962 -5.791 1.00 0.35 C ATOM 0 HA PRO A 71 0.413 -0.667 -4.450 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.006 1.616 -5.747 1.00 0.34 H new ATOM 0 HB3 PRO A 71 1.634 1.409 -4.047 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.058 0.795 -4.905 1.00 0.38 H new ATOM 0 HG3 PRO A 71 3.273 -0.268 -3.754 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.697 -0.664 -6.705 1.00 0.35 H new ATOM 0 HD3 PRO A 71 3.682 -1.860 -5.425 1.00 0.35 H new ATOM 1054 N ARG A 72 0.104 0.612 -7.432 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.867 1.173 -8.366 1.00 0.37 C ATOM 1056 C ARG A 72 -2.123 0.303 -8.438 1.00 0.35 C ATOM 1057 O ARG A 72 -3.243 0.814 -8.469 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.227 1.334 -9.745 1.00 0.49 C ATOM 1059 CG ARG A 72 -0.324 2.750 -10.290 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.673 3.013 -10.931 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.696 2.575 -12.324 1.00 1.76 N ATOM 1062 CZ ARG A 72 -2.735 2.735 -13.141 1.00 2.72 C ATOM 1063 NH1 ARG A 72 -3.840 3.350 -12.718 1.00 3.22 N ATOM 1064 NH2 ARG A 72 -2.658 2.296 -14.390 1.00 3.56 N ATOM 0 H ARG A 72 1.022 0.435 -7.839 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.172 2.156 -8.008 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.822 1.045 -9.687 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.708 0.649 -10.444 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -0.160 3.463 -9.482 1.00 0.83 H new ATOM 0 HG3 ARG A 72 0.465 2.912 -11.024 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -2.451 2.493 -10.372 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -1.901 4.078 -10.879 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.863 2.117 -12.695 1.00 1.76 H new ATOM 0 HH11 ARG A 72 -3.894 3.702 -11.762 1.00 3.22 H new ATOM 0 HH12 ARG A 72 -4.632 3.469 -13.350 1.00 3.22 H new ATOM 0 HH21 ARG A 72 -1.807 1.840 -14.719 1.00 3.56 H new ATOM 0 HH22 ARG A 72 -3.450 2.415 -15.022 1.00 3.56 H new ATOM 1078 N GLU A 73 -1.921 -1.011 -8.454 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.022 -1.970 -8.433 1.00 0.39 C ATOM 1080 C GLU A 73 -3.734 -1.929 -7.083 1.00 0.36 C ATOM 1081 O GLU A 73 -4.960 -1.816 -7.011 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.482 -3.378 -8.674 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.769 -3.559 -10.001 1.00 0.56 C ATOM 1084 CD GLU A 73 -0.828 -4.746 -9.984 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -1.135 -5.746 -9.304 1.00 1.91 O ATOM 1086 OE2 GLU A 73 0.242 -4.670 -10.621 1.00 2.43 O ATOM 0 H GLU A 73 -0.996 -1.440 -8.482 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.730 -1.707 -9.219 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -1.793 -3.632 -7.868 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.310 -4.085 -8.621 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -2.506 -3.692 -10.793 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.208 -2.655 -10.237 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.938 -2.021 -6.020 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.443 -2.033 -4.649 1.00 0.34 C ATOM 1095 C LEU A 74 -4.368 -0.850 -4.394 1.00 0.33 C ATOM 1096 O LEU A 74 -5.458 -1.004 -3.834 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.267 -1.976 -3.670 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.279 -3.028 -2.563 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -1.208 -2.713 -1.530 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.651 -3.109 -1.913 1.00 0.98 C ATOM 0 H LEU A 74 -1.922 -2.089 -6.085 1.00 0.33 H new ATOM 0 HA LEU A 74 -4.009 -2.953 -4.502 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.341 -2.080 -4.236 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -2.249 -0.989 -3.208 1.00 0.34 H new ATOM 0 HG LEU A 74 -2.059 -4.000 -3.004 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -1.226 -3.469 -0.745 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -0.229 -2.710 -2.010 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -1.401 -1.733 -1.093 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.637 -3.864 -1.127 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -3.907 -2.141 -1.482 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -4.394 -3.379 -2.663 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.918 0.319 -4.818 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.642 1.559 -4.602 1.00 0.33 C ATOM 1114 C LEU A 75 -6.069 1.461 -5.142 1.00 0.35 C ATOM 1115 O LEU A 75 -7.037 1.672 -4.407 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.907 2.713 -5.288 1.00 0.35 C ATOM 1117 CG LEU A 75 -4.400 4.108 -4.917 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.954 4.472 -3.512 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -3.914 5.137 -5.927 1.00 0.91 C ATOM 0 H LEU A 75 -3.039 0.434 -5.322 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.693 1.744 -3.529 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.847 2.643 -5.045 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.996 2.589 -6.367 1.00 0.35 H new ATOM 0 HG LEU A 75 -5.490 4.106 -4.938 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.314 5.470 -3.263 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -4.362 3.752 -2.803 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.865 4.456 -3.460 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.277 6.125 -5.643 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -2.824 5.142 -5.945 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -4.292 4.882 -6.917 1.00 0.91 H new ATOM 1131 N ASP A 76 -6.185 1.107 -6.415 1.00 0.39 N ATOM 1132 CA ASP A 76 -7.482 1.040 -7.085 1.00 0.44 C ATOM 1133 C ASP A 76 -8.365 -0.036 -6.463 1.00 0.40 C ATOM 1134 O ASP A 76 -9.574 0.151 -6.309 1.00 0.43 O ATOM 1135 CB ASP A 76 -7.294 0.767 -8.580 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.589 0.891 -9.367 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.980 2.024 -9.718 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -9.227 -0.150 -9.630 1.00 1.43 O ATOM 0 H ASP A 76 -5.394 0.860 -7.009 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.977 2.003 -6.959 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.560 1.465 -8.983 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.887 -0.235 -8.714 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.746 -1.146 -6.077 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.470 -2.261 -5.478 1.00 0.38 C ATOM 1145 C LEU A 77 -9.112 -1.853 -4.152 1.00 0.34 C ATOM 1146 O LEU A 77 -10.288 -2.128 -3.913 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.523 -3.445 -5.257 1.00 0.46 C ATOM 1148 CG LEU A 77 -8.181 -4.714 -4.714 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -9.236 -5.235 -5.682 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -7.127 -5.777 -4.447 1.00 1.66 C ATOM 0 H LEU A 77 -6.742 -1.298 -6.169 1.00 0.37 H new ATOM 0 HA LEU A 77 -9.263 -2.557 -6.164 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -7.038 -3.683 -6.204 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.738 -3.138 -4.566 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.678 -4.471 -3.775 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.690 -6.138 -5.274 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -10.005 -4.476 -5.826 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.769 -5.465 -6.640 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.607 -6.676 -4.061 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.606 -6.014 -5.375 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.412 -5.404 -3.714 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.339 -1.192 -3.296 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.842 -0.751 -2.001 1.00 0.31 C ATOM 1164 C ILE A 78 -9.942 0.295 -2.177 1.00 0.34 C ATOM 1165 O ILE A 78 -10.933 0.299 -1.444 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.712 -0.183 -1.113 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.683 -1.277 -0.817 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.274 0.393 0.183 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.526 -0.804 0.029 1.00 0.40 C ATOM 0 H ILE A 78 -7.364 -0.951 -3.476 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.258 -1.625 -1.500 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.220 0.627 -1.651 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.180 -2.104 -0.309 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.298 -1.667 -1.759 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.459 0.786 0.790 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -8.974 1.196 -0.049 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -8.792 -0.391 0.735 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -4.837 -1.631 0.199 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.004 0.003 -0.486 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -5.900 -0.441 0.986 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.772 1.168 -3.166 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.778 2.188 -3.454 1.00 0.44 C ATOM 1183 C ASN A 79 -12.107 1.539 -3.825 1.00 0.44 C ATOM 1184 O ASN A 79 -13.164 1.972 -3.366 1.00 0.49 O ATOM 1185 CB ASN A 79 -10.322 3.115 -4.589 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.345 4.191 -4.134 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -8.490 3.868 -3.174 1.00 1.67 O flip ATOM 1188 ND2 ASN A 79 -9.348 5.304 -4.658 1.00 0.78 N flip ATOM 0 H ASN A 79 -8.955 1.191 -3.777 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.909 2.785 -2.551 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.854 2.517 -5.371 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -11.196 3.592 -5.032 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -10.020 5.519 -5.394 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -8.678 6.012 -4.356 1.00 0.78 H new ATOM 1195 N GLY A 80 -12.038 0.483 -4.632 1.00 0.43 N ATOM 1196 CA GLY A 80 -13.234 -0.222 -5.058 1.00 0.47 C ATOM 1197 C GLY A 80 -13.992 -0.831 -3.896 1.00 0.48 C ATOM 1198 O GLY A 80 -15.220 -0.766 -3.847 1.00 0.54 O ATOM 0 H GLY A 80 -11.167 0.101 -5.001 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.887 0.467 -5.593 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.958 -1.009 -5.760 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.264 -1.397 -2.944 1.00 0.49 N ATOM 1203 CA ALA A 81 -13.884 -2.045 -1.792 1.00 0.56 C ATOM 1204 C ALA A 81 -14.480 -1.019 -0.838 1.00 0.61 C ATOM 1205 O ALA A 81 -15.517 -1.252 -0.220 1.00 0.73 O ATOM 1206 CB ALA A 81 -12.863 -2.900 -1.062 1.00 0.60 C ATOM 0 H ALA A 81 -12.244 -1.422 -2.944 1.00 0.49 H new ATOM 0 HA ALA A 81 -14.692 -2.680 -2.156 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -13.336 -3.379 -0.204 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -12.478 -3.664 -1.738 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.041 -2.272 -0.719 1.00 0.60 H new ATOM 1212 N LEU A 82 -13.821 0.122 -0.738 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.236 1.176 0.163 1.00 0.64 C ATOM 1214 C LEU A 82 -15.407 1.964 -0.430 1.00 0.70 C ATOM 1215 O LEU A 82 -16.267 2.464 0.301 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.017 2.066 0.451 1.00 0.64 C ATOM 1217 CG LEU A 82 -13.245 3.578 0.440 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -13.963 4.037 1.703 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -11.919 4.312 0.282 1.00 0.85 C ATOM 0 H LEU A 82 -12.985 0.341 -1.279 1.00 0.57 H new ATOM 0 HA LEU A 82 -14.596 0.758 1.103 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.619 1.790 1.428 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -12.247 1.834 -0.284 1.00 0.64 H new ATOM 0 HG LEU A 82 -13.882 3.817 -0.411 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -14.111 5.116 1.666 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -14.931 3.540 1.772 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -13.362 3.783 2.576 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.097 5.387 0.276 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -11.261 4.058 1.113 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -11.449 4.017 -0.656 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.462 2.028 -1.754 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.491 2.794 -2.450 1.00 0.71 C ATOM 1233 C ALA A 83 -17.889 2.230 -2.204 1.00 0.85 C ATOM 1234 O ALA A 83 -18.879 2.962 -2.247 1.00 1.05 O ATOM 1235 CB ALA A 83 -16.188 2.829 -3.940 1.00 0.70 C ATOM 0 H ALA A 83 -14.802 1.556 -2.372 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.478 3.809 -2.052 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.959 3.402 -4.455 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -15.218 3.298 -4.103 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -16.170 1.812 -4.332 1.00 0.70 H new ATOM 1241 N GLU A 84 -17.969 0.933 -1.936 1.00 0.89 N ATOM 1242 CA GLU A 84 -19.257 0.292 -1.703 1.00 1.11 C ATOM 1243 C GLU A 84 -19.560 0.192 -0.208 1.00 1.29 C ATOM 1244 O GLU A 84 -20.604 -0.324 0.192 1.00 1.58 O ATOM 1245 CB GLU A 84 -19.293 -1.096 -2.346 1.00 1.25 C ATOM 1246 CG GLU A 84 -18.204 -2.030 -1.852 1.00 1.81 C ATOM 1247 CD GLU A 84 -18.291 -3.402 -2.478 1.00 2.11 C ATOM 1248 OE1 GLU A 84 -17.844 -3.570 -3.628 1.00 2.39 O ATOM 1249 OE2 GLU A 84 -18.808 -4.330 -1.823 1.00 2.67 O ATOM 0 H GLU A 84 -17.165 0.309 -1.875 1.00 0.89 H new ATOM 0 HA GLU A 84 -20.026 0.911 -2.165 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -20.264 -1.551 -2.151 1.00 1.25 H new ATOM 0 HB3 GLU A 84 -19.203 -0.988 -3.427 1.00 1.25 H new ATOM 0 HG2 GLU A 84 -17.229 -1.595 -2.072 1.00 1.81 H new ATOM 0 HG3 GLU A 84 -18.274 -2.123 -0.768 1.00 1.81 H new ATOM 1256 N ALA A 85 -18.652 0.698 0.615 1.00 1.27 N ATOM 1257 CA ALA A 85 -18.818 0.620 2.059 1.00 1.57 C ATOM 1258 C ALA A 85 -19.618 1.810 2.585 1.00 1.83 C ATOM 1259 O ALA A 85 -20.397 1.678 3.528 1.00 2.45 O ATOM 1260 CB ALA A 85 -17.463 0.547 2.743 1.00 1.74 C ATOM 0 H ALA A 85 -17.798 1.164 0.310 1.00 1.27 H new ATOM 0 HA ALA A 85 -19.376 -0.288 2.288 1.00 1.57 H new ATOM 0 HB1 ALA A 85 -17.603 0.489 3.822 1.00 1.74 H new ATOM 0 HB2 ALA A 85 -16.929 -0.338 2.398 1.00 1.74 H new ATOM 0 HB3 ALA A 85 -16.884 1.438 2.499 1.00 1.74 H new ATOM 1266 N ALA A 86 -19.436 2.961 1.953 1.00 2.09 N ATOM 1267 CA ALA A 86 -20.100 4.181 2.385 1.00 2.63 C ATOM 1268 C ALA A 86 -21.327 4.466 1.526 1.00 3.28 C ATOM 1269 O ALA A 86 -22.427 4.001 1.886 1.00 3.73 O ATOM 1270 CB ALA A 86 -19.129 5.351 2.343 1.00 3.12 C ATOM 1271 OXT ALA A 86 -21.192 5.150 0.492 1.00 3.82 O ATOM 0 H ALA A 86 -18.833 3.075 1.138 1.00 2.09 H new ATOM 0 HA ALA A 86 -20.436 4.045 3.413 1.00 2.63 H new ATOM 0 HB1 ALA A 86 -19.638 6.258 2.669 1.00 3.12 H new ATOM 0 HB2 ALA A 86 -18.287 5.149 3.006 1.00 3.12 H new ATOM 0 HB3 ALA A 86 -18.765 5.485 1.324 1.00 3.12 H new TER 1277 ALA A 86 HETATM 1278 P24 SXO A 87 8.583 -12.882 5.293 1.00 1.12 P HETATM 1279 O26 SXO A 87 9.778 -12.899 6.273 1.00 1.48 O HETATM 1280 O23 SXO A 87 8.772 -13.523 3.891 1.00 1.45 O HETATM 1281 O27 SXO A 87 7.362 -13.576 5.992 1.00 1.11 O HETATM 1282 C28 SXO A 87 6.894 -13.037 7.273 1.00 1.02 C HETATM 1283 C29 SXO A 87 5.810 -13.932 7.888 1.00 1.15 C HETATM 1284 C30 SXO A 87 5.180 -13.133 9.016 1.00 1.14 C HETATM 1285 C31 SXO A 87 4.741 -14.266 6.844 1.00 1.22 C HETATM 1286 C32 SXO A 87 6.455 -15.249 8.447 1.00 1.49 C HETATM 1287 O33 SXO A 87 7.394 -15.795 7.518 1.00 1.65 O HETATM 1288 C34 SXO A 87 5.405 -16.319 8.737 1.00 1.70 C HETATM 1289 O35 SXO A 87 5.466 -17.407 8.162 1.00 1.95 O HETATM 1290 N36 SXO A 87 4.465 -16.023 9.620 1.00 1.69 N HETATM 1291 C37 SXO A 87 3.392 -16.941 10.000 1.00 1.95 C HETATM 1292 C38 SXO A 87 2.063 -16.223 10.187 1.00 1.97 C HETATM 1293 C39 SXO A 87 1.538 -15.607 8.903 1.00 1.75 C HETATM 1294 O40 SXO A 87 1.973 -15.936 7.796 1.00 2.21 O HETATM 1295 N41 SXO A 87 0.582 -14.703 9.080 1.00 1.79 N HETATM 1296 C42 SXO A 87 -0.068 -13.984 7.990 1.00 1.94 C HETATM 1297 C43 SXO A 87 -1.081 -12.981 8.516 1.00 1.99 C HETATM 1298 S1 SXO A 87 -1.845 -12.138 7.210 1.00 1.96 S HETATM 1299 C1 SXO A 87 -0.578 -10.995 6.856 1.00 1.93 C HETATM 1300 O1 SXO A 87 0.529 -10.989 7.396 1.00 2.52 O HETATM 1301 C2 SXO A 87 -0.949 -9.953 5.818 1.00 2.08 C HETATM 1302 C3 SXO A 87 -1.054 -10.535 4.416 1.00 1.81 C HETATM 1303 C4 SXO A 87 -1.653 -9.540 3.434 1.00 1.94 C HETATM 1304 C5 SXO A 87 -0.757 -8.329 3.252 1.00 1.78 C HETATM 1305 C6 SXO A 87 -1.359 -7.347 2.263 1.00 1.64 C HETATM 1306 C7 SXO A 87 -0.449 -6.152 2.038 1.00 1.79 C HETATM 1307 C8 SXO A 87 -1.084 -5.185 1.070 1.00 1.84 C HETATM 0 HO33 SXO A 87 7.485 -15.191 6.752 1.00 1.65 H new HETATM 0 HN41 SXO A 87 0.285 -14.499 10.034 1.00 1.79 H new HETATM 0 HN36 SXO A 87 4.490 -15.103 10.060 1.00 1.69 H new HETATM 0 H43A SXO A 87 -1.834 -13.496 9.112 1.00 1.99 H new HETATM 0 H42A SXO A 87 0.684 -13.466 7.394 1.00 1.94 H new HETATM 0 H38A SXO A 87 1.327 -16.928 10.574 1.00 1.97 H new HETATM 0 H37A SXO A 87 3.284 -17.709 9.234 1.00 1.95 H new HETATM 0 H31B SXO A 87 4.281 -13.345 6.487 1.00 1.22 H new HETATM 0 H31A SXO A 87 5.202 -14.790 6.006 1.00 1.22 H new HETATM 0 H30B SXO A 87 5.942 -12.882 9.754 1.00 1.14 H new HETATM 0 H30A SXO A 87 4.747 -12.217 8.615 1.00 1.14 H new HETATM 0 H28A SXO A 87 7.733 -12.951 7.963 1.00 1.02 H new HETATM 0 H8B SXO A 87 -1.257 -5.685 0.117 1.00 1.84 H new HETATM 0 H8A SXO A 87 -2.034 -4.837 1.474 1.00 1.84 H new HETATM 0 H8 SXO A 87 -0.421 -4.334 0.918 1.00 1.84 H new HETATM 0 H7A SXO A 87 -0.253 -5.652 2.986 1.00 1.79 H new HETATM 0 H7 SXO A 87 0.513 -6.487 1.650 1.00 1.79 H new HETATM 0 H6A SXO A 87 -1.540 -7.851 1.314 1.00 1.64 H new HETATM 0 H6 SXO A 87 -2.326 -7.005 2.632 1.00 1.64 H new HETATM 0 H5A SXO A 87 -0.607 -7.836 4.213 1.00 1.78 H new HETATM 0 H5 SXO A 87 0.224 -8.648 2.901 1.00 1.78 H new HETATM 0 H4A SXO A 87 -1.809 -10.027 2.471 1.00 1.94 H new HETATM 0 H43 SXO A 87 -0.585 -12.268 9.175 1.00 1.99 H new HETATM 0 H42 SXO A 87 -0.565 -14.694 7.329 1.00 1.94 H new HETATM 0 H4 SXO A 87 -2.632 -9.219 3.791 1.00 1.94 H new HETATM 0 H3A SXO A 87 -0.064 -10.834 4.072 1.00 1.81 H new HETATM 0 H38 SXO A 87 2.181 -15.441 10.937 1.00 1.97 H new HETATM 0 H37 SXO A 87 3.662 -17.450 10.925 1.00 1.95 H new HETATM 0 H32 SXO A 87 6.957 -14.972 9.374 1.00 1.49 H new HETATM 0 H31 SXO A 87 3.979 -14.901 7.294 1.00 1.22 H new HETATM 0 H30 SXO A 87 4.398 -13.727 9.490 1.00 1.14 H new HETATM 0 H3 SXO A 87 -1.668 -11.435 4.441 1.00 1.81 H new HETATM 0 H2A SXO A 87 -1.901 -9.497 6.090 1.00 2.08 H new HETATM 0 H28 SXO A 87 6.499 -12.032 7.125 1.00 1.02 H new HETATM 0 H2 SXO A 87 -0.202 -9.159 5.823 1.00 2.08 H new